data_5lsd_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 5lsd _Structure_validation_residue.Date_analyzed 2017-06-30 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 ' 12' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 . . . . . 0 CA--C 1.521 -0.145 0 N-CA-C 109.846 -0.428 . . . . 4.02 109.846 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.8 t -121.45 175.37 6.22 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.822 -0.351 . . . . 2.58 110.488 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.2 m -61.78 -28.04 43.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.133 0.492 . . . . 1.8 110.839 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.5 t -135.47 156.8 48.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.512 -0.767 . . . . 1.75 109.269 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -96.5 115.47 27.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.21 0.528 . . . . 2.87 110.585 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.6 p -112.66 148.98 33.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.6 -0.727 . . . . 1.91 110.795 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -123.7 117.7 51.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.327 -0.397 . . . . 1.88 110.127 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.443 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 8.1 t -103.58 116.72 32.89 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.766 -0.457 . . . . 1.95 109.766 -178.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.3 t -119.93 138.16 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.089 -0.505 . . . . 1.55 110.51 -177.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -90.76 95.19 10.01 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.126 -0.694 . . . . 1.86 109.126 174.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.3 t -88.1 129.37 39.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.169 -0.923 . . . . 1.41 110.908 -173.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -114.44 -16.01 7.9 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 110.941 -0.864 . . . . 1.36 110.941 173.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -89.22 21.89 3.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.949 0.404 . . . . 3.02 110.878 -176.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.554 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 40.1 tttp -76.38 111.64 12.04 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.623 -0.88 . . . . 1.64 108.623 176.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.459 ' O ' ' HA ' ' A' ' 37' ' ' THR . 9.1 t -97.98 -17.23 19.3 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.564 0.221 . . . . 2.12 111.595 -173.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 p -144.52 139.72 28.41 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.763 0.316 . . . . 1.54 111.145 -178.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -154.0 153.73 32.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.694 -0.685 . . . . 1.29 110.021 176.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.0 m -95.21 121.1 36.5 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.544 -0.298 . . . . 1.53 110.679 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.443 ' OD1' ' HB3' ' A' ' 100' ' ' ARG . 21.5 t70 -67.39 161.18 25.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.926 -0.579 . . . . 1.85 109.67 175.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.0 tt -59.8 -25.44 32.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.306 -0.406 . . . . 1.74 111.6 -176.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -82.52 -2.43 53.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.933 0.397 . . . . 2.65 110.835 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.84 25.23 25.52 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.966 -0.635 . . . . 1.25 112.188 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -99.31 119.04 37.28 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.496 -0.187 . . . . 2.58 110.496 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -78.82 113.44 16.91 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.588 -0.893 . . . . 2.19 108.588 176.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.7 m -122.48 157.12 27.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-O 121.281 0.562 . . . . 1.48 111.462 -172.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' ' 26' ' ' THR . 31.7 m -86.25 119.09 26.15 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 115.215 -0.902 . . . . 1.5 109.797 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.554 ' HB ' ' O ' ' A' ' 25' ' ' LYS . 41.7 t -89.6 138.99 18.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.696 -0.684 . . . . 1.55 110.625 -176.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 42.5 mt -100.28 137.41 38.74 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.956 -0.565 . . . . 1.91 109.48 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.11 -28.82 67.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.495 0.664 . . . . 2.35 110.19 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -129.51 140.09 51.35 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.994 -1.003 . . . . 3.59 109.136 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.6 m -89.49 115.48 29.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.578 0.704 . . . . 2.85 110.48 -177.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -102.95 99.35 9.24 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.303 -0.862 . . . . 3.25 109.434 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.6 mt -82.64 -81.09 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.862 -0.422 . . . . 2.98 109.862 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -124.81 -68.09 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.48 -0.563 . . . . 3.91 109.48 173.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -130.35 33.58 4.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.871 -0.604 . . . . 5.31 109.965 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.8 m -139.89 124.1 17.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.841 -0.618 . . . . 3.53 109.856 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.8 t -118.39 118.41 57.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.337 -0.392 . . . . 2.78 110.666 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -120.81 136.12 54.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.429 -0.35 . . . . 4.85 110.645 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -80.51 105.73 11.98 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.932 -0.766 . . . . 5.38 108.932 175.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.551 ' HB2' ' CD ' ' B' ' 88' ' ' LYS . 28.9 pt20 -82.68 -55.25 4.55 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.375 0.509 . . . . 5.18 112.375 -170.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 64.01 161.12 0.11 Allowed 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.452 0.644 . . . . 2.96 111.819 -176.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -134.56 131.54 38.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.96 -0.564 . . . . 1.28 110.686 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -84.43 94.94 8.63 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.468 0.652 . . . . 4.41 110.023 177.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.52 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 19.5 mt-10 -101.17 112.45 24.94 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.929 -0.578 . . . . 1.49 110.054 -179.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.443 ' HA ' ' HA ' ' A' ' 19' ' ' SER . 19.8 m -99.88 104.86 16.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.166 -0.925 . . . . 1.56 110.133 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -103.39 165.04 11.27 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.857 -0.611 . . . . 2.93 110.376 -175.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 70.6 m -87.79 119.26 27.95 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.94 -0.573 . . . . 1.77 110.232 177.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -69.38 -31.04 69.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.517 0.675 . . . . 3.84 109.654 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -144.41 135.7 25.44 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.978 -1.01 . . . . 2.96 109.104 176.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.9 p -78.9 -21.75 46.95 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.273 0.559 . . . . 3.02 110.007 177.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -146.86 95.77 4.44 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 114.984 -1.007 . . . . 2.59 109.042 176.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.72 -33.55 88.0 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.47 2.113 . . . . 2.81 111.843 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.2 m -122.21 154.4 26.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.075 -0.511 . . . . 2.53 109.733 174.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -77.67 67.45 3.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.026 0.441 . . . . 4.19 110.825 -176.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.419 ' HB2' ' CB ' ' A' ' 73' ' ' SER . 81.5 p -179.5 -33.29 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.246 -0.888 . . . . 4.07 109.932 -179.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 169.05 -112.11 0.46 Allowed Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.811 -0.631 . . . . 2.7 111.68 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 95.7 m -117.29 161.01 20.19 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.976 -0.379 . . . . 1.76 109.976 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 69' ' ' ARG . 31.7 mtm180 -68.97 132.2 46.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.428 -0.351 . . . . 4.4 110.902 -176.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.55 -28.68 8.03 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.043 -0.599 . . . . 1.61 112.671 178.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.3 mm -69.89 134.64 29.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.835 0.35 . . . . 2.04 111.405 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -68.74 95.09 0.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.148 -0.686 . . . . 3.32 109.148 172.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.594 ' HA ' ' O ' ' A' ' 76' ' ' TRP . 15.8 m -78.24 9.18 4.01 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.12 -0.491 . . . . 4.99 111.599 -172.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -90.87 -39.77 12.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.18 0.514 . . . . 3.32 109.983 176.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -100.56 -27.86 13.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.749 -0.66 . . . . 4.16 110.389 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.594 ' O ' ' HA ' ' A' ' 73' ' ' SER . 99.6 m95 -117.63 122.85 44.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.226 0.536 . . . . 3.71 111.227 -178.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -93.04 135.07 34.55 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.153 -1.054 . . . . 3.0 108.153 170.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.465 ' HA ' ' O ' ' A' ' 111' ' ' VAL . 1.4 m -132.38 149.36 52.37 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.709 -0.396 . . . . 2.16 111.339 -172.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.9 p90 -158.25 152.33 24.05 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.821 -0.627 . . . . 4.07 109.66 170.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.591 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 38.2 m -88.34 115.02 25.54 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.6 -0.727 . . . . 1.67 110.859 -176.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.6 m -103.77 127.69 51.22 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.638 -0.71 . . . . 2.49 109.81 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.7 m -85.15 115.72 23.1 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.009 -0.367 . . . . 3.09 110.009 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.6 p -81.96 134.01 35.35 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 120.978 0.418 . . . . 3.17 110.972 -175.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -104.17 136.7 43.3 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.981 -0.554 . . . . 4.4 110.333 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.625 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 11.7 t -132.48 163.18 29.38 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.421 -0.585 . . . . 1.61 109.421 177.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.405 ' HB3' ' HB3' ' A' ' 101' ' ' PHE . 91.6 m-85 -107.34 116.87 32.7 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.918 0.39 . . . . 2.52 110.07 -176.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 101' ' ' PHE . 22.1 m -109.41 139.04 33.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.342 0.591 . . . . 1.59 111.764 -175.114 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.542 ' CD ' ' HB2' ' B' ' 51' ' ' GLN . 10.0 pttp -67.13 103.47 1.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.706 -1.133 . . . . 4.22 111.359 177.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.87 151.83 50.01 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.354 -0.839 . . . . 1.57 110.7 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.1 tp -81.8 109.91 16.62 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.831 -0.803 . . . . 1.87 108.831 172.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 47.6 p -128.51 155.39 44.93 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.092 -0.504 . . . . 1.44 110.381 -175.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.412 HG23 ' HB ' ' A' ' 37' ' ' THR . 9.7 t -117.65 123.43 46.1 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.25 0.548 . . . . 1.63 110.152 178.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -74.59 -19.09 60.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.956 -0.566 . . . . 2.47 110.108 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -166.11 -73.0 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.769 -0.651 . . . . 3.09 109.617 177.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -136.33 25.6 3.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 3.75 110.836 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -134.92 106.63 6.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.246 -0.434 . . . . 3.02 110.639 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.82 119.39 18.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.153 -0.476 . . . . 1.8 110.239 177.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -140.82 150.99 44.0 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.098 -0.501 . . . . 1.79 110.577 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -77.23 111.05 12.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.021 -0.536 . . . . 2.88 110.485 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.443 ' HB3' ' OD1' ' A' ' 30' ' ' ASP . 42.7 mmt-85 -125.04 178.13 5.69 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.836 -0.62 . . . . 3.92 110.069 -178.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.431 ' O ' ' HA ' ' A' ' 30' ' ' ASP . 77.3 m-85 -117.4 108.97 16.21 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.253 -0.647 . . . . 2.74 109.253 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 32.4 pt -111.78 144.29 19.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.25 0.548 . . . . 1.33 111.358 -171.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.625 ' HA ' ' O ' ' A' ' 85' ' ' THR . 16.1 ptt180 -74.85 119.88 19.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.299 -0.864 . . . . 4.27 111.639 -176.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 40.9 pt -122.91 160.6 25.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.167 -0.924 . . . . 1.36 109.137 171.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.52 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 61.3 m-20 -81.46 113.32 19.44 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.103 -0.703 . . . . 1.69 109.103 176.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.4 t -95.47 -31.28 13.43 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.742 -0.383 . . . . 2.66 111.827 -172.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -157.05 166.08 34.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.107 0.48 . . . . 1.64 111.684 -176.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.591 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 44.3 t -124.93 106.29 9.87 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.746 -0.835 . . . . 1.59 108.746 176.25 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 18.8 m -105.46 142.29 18.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.045 0.45 . . . . 1.52 111.262 -172.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.41 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 40.9 t -89.82 114.01 25.68 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.864 -0.791 . . . . 1.45 108.864 173.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' A' ' 78' ' ' SER . 32.9 m -94.6 144.81 9.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 C-N-CA 120.697 -0.401 . . . . 2.0 110.213 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.538 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . 85.4 mt -113.24 138.8 49.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.059 -0.519 . . . . 1.86 110.333 -178.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.6 t -133.07 148.58 52.18 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.786 -0.643 . . . . 3.01 109.389 175.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 . . . . . 0 C--N 1.323 -0.568 0 C-N-CA 121.275 -0.17 . . . . 7.46 110.866 179.263 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 . . . . . 0 CA--C 1.52 -0.198 0 N-CA-C 109.841 -0.429 . . . . 4.01 109.841 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 20.8 t -121.9 175.32 6.37 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 120.933 -0.307 . . . . 2.58 110.362 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 31.1 m -61.84 -28.0 43.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.14 0.495 . . . . 1.81 110.857 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 49.3 t -135.44 156.62 48.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.519 -0.764 . . . . 1.75 109.356 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -96.18 115.52 27.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.031 0.443 . . . . 2.87 110.612 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 20.1 p -112.59 149.25 33.04 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.768 -0.651 . . . . 1.91 110.656 -178.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -123.88 117.6 51.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.242 -0.435 . . . . 1.88 110.203 177.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.45 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 8.1 t -103.38 116.65 32.82 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.849 -0.426 . . . . 1.95 109.849 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 60.5 t -119.78 138.16 51.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.247 -0.433 . . . . 1.55 110.645 -177.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 81.4 m95 -90.93 95.14 9.97 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.591 0.71 . . . . 1.86 109.09 174.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 48.5 t -88.21 129.48 39.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.111 -0.95 . . . . 1.41 110.898 -173.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -114.49 -16.29 7.7 Favored Glycine 0 N--CA 1.444 -0.796 0 N-CA-C 110.917 -0.873 . . . . 1.36 110.917 173.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -88.62 21.66 2.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 3.01 110.843 -176.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.545 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 40.2 tttp -76.14 111.51 11.63 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.747 -0.834 . . . . 1.64 108.747 176.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' THR . . . . . 0.469 ' O ' ' HA ' ' B' ' 37' ' ' THR . 9.5 t -97.82 -17.57 19.25 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 111.549 0.204 . . . . 2.11 111.549 -173.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.4 p -144.13 139.79 29.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.795 0.331 . . . . 1.53 111.17 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -153.85 153.51 32.23 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.846 -0.616 . . . . 1.29 110.052 176.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 3.0 m -95.17 120.99 36.34 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.572 -0.286 . . . . 1.52 110.757 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . 0.46 ' OD1' ' HB3' ' B' ' 100' ' ' ARG . 21.4 t70 -67.3 160.89 26.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.902 -0.59 . . . . 1.84 109.742 175.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.7 tt -59.69 -25.33 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.25 -0.432 . . . . 1.74 111.599 -176.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -82.89 -1.47 52.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.866 0.365 . . . . 2.65 110.923 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.31 24.56 28.63 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.827 -0.702 . . . . 1.25 112.217 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -98.98 118.73 36.43 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.892 -0.181 . . . . 2.58 110.555 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 28.7 tp10 -78.6 113.47 16.66 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.602 -0.888 . . . . 2.19 108.602 176.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 28.1 m -122.47 157.1 27.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-O 121.206 0.527 . . . . 1.48 111.432 -172.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' B' ' 26' ' ' THR . 32.3 m -86.39 118.95 26.15 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.201 -0.908 . . . . 1.5 109.697 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.545 ' HB ' ' O ' ' B' ' 25' ' ' LYS . 41.9 t -89.58 138.72 18.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 115.72 -0.673 . . . . 1.55 110.59 -175.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 42.5 mt -100.0 137.61 38.21 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.881 -0.599 . . . . 1.91 109.63 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.15 -29.11 67.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.648 0.737 . . . . 2.34 110.361 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -129.09 140.06 51.74 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.744 -1.117 . . . . 3.59 109.204 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 33.7 m -89.52 115.56 29.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.654 0.74 . . . . 2.85 110.479 -177.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -102.83 99.34 9.28 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.29 -0.868 . . . . 3.25 109.336 177.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 62.2 mt -82.69 -81.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.81 -0.441 . . . . 2.98 109.81 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -124.68 -68.6 0.84 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.303 -0.629 . . . . 3.91 109.303 173.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -129.92 33.51 4.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.854 -0.612 . . . . 5.31 109.959 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 20.1 m -139.73 124.33 18.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.843 -0.617 . . . . 3.54 109.793 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 40.9 t -118.57 118.84 59.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.34 -0.391 . . . . 2.78 110.544 -179.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -121.47 135.91 55.0 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.577 -0.283 . . . . 4.84 110.546 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 66.6 mtm180 -80.26 105.72 11.73 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.994 -0.743 . . . . 5.38 108.994 175.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . 0.542 ' HB2' ' CD ' ' A' ' 88' ' ' LYS . 29.0 pt20 -82.57 -55.06 4.69 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.523 0.564 . . . . 5.18 112.523 -170.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 63.81 161.27 0.1 Allowed 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.605 0.717 . . . . 2.96 111.767 -176.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -134.79 131.52 37.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.849 -0.614 . . . . 1.28 110.706 177.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -84.36 94.97 8.6 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.477 0.656 . . . . 4.41 109.983 177.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . 0.515 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 19.8 mt-10 -101.07 112.62 25.13 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.927 -0.578 . . . . 1.49 110.033 -179.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.45 ' HA ' ' HA ' ' B' ' 19' ' ' SER . 19.5 m -99.93 104.99 16.66 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.254 -0.884 . . . . 1.57 110.194 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -103.39 165.21 11.17 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.755 -0.657 . . . . 2.93 110.388 -175.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 72.9 m -87.74 119.47 28.1 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.991 -0.55 . . . . 1.77 109.987 177.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -69.61 -31.05 68.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.375 0.607 . . . . 3.85 109.555 176.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -144.35 135.58 25.41 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.031 -0.986 . . . . 2.96 109.226 176.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 14.1 p -78.82 -21.73 47.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.267 0.556 . . . . 3.01 110.027 178.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -146.75 95.5 4.52 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.036 -0.984 . . . . 2.59 109.145 176.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.66 -32.85 85.3 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.451 2.101 . . . . 2.81 111.972 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 23.7 m -122.63 154.68 27.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.024 -0.535 . . . . 2.53 109.765 174.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -78.19 67.68 4.06 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.925 0.393 . . . . 4.2 110.649 -176.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' SER . . . . . 0.431 ' HB2' ' CB ' ' B' ' 73' ' ' SER . 83.0 p -179.69 -33.21 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.253 -0.885 . . . . 4.07 110.071 -179.243 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 169.06 -112.22 0.46 Allowed Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.912 -0.585 . . . . 2.7 111.677 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 95.3 m -117.19 160.93 20.28 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.955 -0.387 . . . . 1.76 109.955 177.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 31.5 mtm180 -68.88 131.99 46.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.527 -0.306 . . . . 4.4 110.83 -176.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.58 -27.8 9.22 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.973 -0.632 . . . . 1.61 112.531 178.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 47.4 mm -70.55 134.33 30.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.883 0.373 . . . . 2.04 111.439 -177.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -68.64 95.29 0.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.127 -0.694 . . . . 3.32 109.127 172.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' SER . . . . . 0.582 ' HA ' ' O ' ' B' ' 76' ' ' TRP . 15.8 m -78.24 9.34 3.88 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.126 -0.488 . . . . 4.99 111.659 -172.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -91.2 -39.39 12.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.013 0.435 . . . . 3.33 110.001 176.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -100.69 -27.57 13.3 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.945 -0.57 . . . . 4.16 110.577 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' TRP . . . . . 0.582 ' O ' ' HA ' ' B' ' 73' ' ' SER . 99.7 m95 -117.94 122.71 43.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.222 0.534 . . . . 3.7 111.197 -178.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -92.93 135.13 34.42 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.193 -1.039 . . . . 3.0 108.193 170.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.462 ' HA ' ' O ' ' B' ' 111' ' ' VAL . 1.4 m -132.53 149.15 52.37 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.899 0.38 . . . . 2.16 111.419 -172.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -158.11 152.4 24.41 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.841 -0.618 . . . . 4.07 109.62 170.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . 0.601 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 38.0 m -88.32 115.21 25.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.589 -0.732 . . . . 1.67 110.857 -176.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 12.4 m -103.92 127.66 51.44 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.788 -0.642 . . . . 2.49 109.753 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.7 m -85.24 115.65 23.13 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 110.026 -0.361 . . . . 3.09 110.026 177.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 19.7 p -81.89 134.1 35.37 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 120.971 0.415 . . . . 3.17 111.088 -175.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -104.11 136.96 42.76 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.031 -0.531 . . . . 4.39 110.27 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' THR . . . . . 0.609 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 11.4 t -132.69 162.97 30.01 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.37 -0.604 . . . . 1.61 109.37 177.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -107.11 116.98 32.88 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.893 0.377 . . . . 2.52 110.191 -176.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' B' ' 101' ' ' PHE . 21.4 m -109.56 139.04 34.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.452 0.644 . . . . 1.59 111.723 -175.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . 0.551 ' CD ' ' HB2' ' A' ' 51' ' ' GLN . 9.9 pttp -67.14 103.44 1.21 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.704 -1.134 . . . . 4.22 111.331 177.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.83 151.84 49.97 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.404 -0.816 . . . . 1.57 110.759 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 23.1 tp -81.72 109.98 16.63 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.87 -0.789 . . . . 1.87 108.87 173.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 47.5 p -128.66 155.35 45.15 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.195 -0.457 . . . . 1.44 110.537 -175.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' THR . . . . . 0.415 HG23 ' HB ' ' B' ' 37' ' ' THR . 9.8 t -117.61 123.38 46.02 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.227 0.537 . . . . 1.63 110.087 178.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -74.4 -19.51 60.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.015 -0.538 . . . . 2.46 110.184 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -165.75 -73.31 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.607 -0.724 . . . . 3.09 109.702 177.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -136.0 25.4 3.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.771 0.32 . . . . 3.76 110.972 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -134.77 106.46 6.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.306 -0.406 . . . . 3.02 110.752 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.46 119.77 19.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.076 -0.511 . . . . 1.8 110.214 177.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -141.04 150.91 43.58 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.211 -0.45 . . . . 1.79 110.62 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -77.27 111.3 12.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.987 -0.551 . . . . 2.87 110.464 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' ARG . . . . . 0.46 ' HB3' ' OD1' ' B' ' 30' ' ' ASP . 42.5 mmt-85 -125.25 178.17 5.73 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.757 -0.656 . . . . 3.93 110.167 -178.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.422 ' O ' ' HA ' ' B' ' 30' ' ' ASP . 78.0 m-85 -117.52 108.94 16.11 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.181 -0.674 . . . . 2.75 109.181 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 32.9 pt -111.66 144.28 19.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.138 0.494 . . . . 1.33 111.339 -171.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . 0.609 ' HA ' ' O ' ' B' ' 85' ' ' THR . 16.1 ptt180 -74.91 119.83 19.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.422 -0.808 . . . . 4.28 111.673 -176.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 41.3 pt -122.9 160.32 25.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.261 -0.882 . . . . 1.36 109.13 171.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . 0.515 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 61.1 m-20 -81.14 113.3 19.21 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.159 -0.682 . . . . 1.69 109.159 176.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 6.4 t -95.44 -31.39 13.4 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.861 -0.336 . . . . 2.65 111.777 -172.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -157.01 166.2 34.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.165 0.507 . . . . 1.64 111.644 -176.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . 0.601 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 44.2 t -124.98 106.28 9.84 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.728 -0.841 . . . . 1.6 108.728 176.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 18.9 m -105.47 142.37 18.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.04 0.448 . . . . 1.53 111.192 -172.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . 0.413 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 40.6 t -89.94 113.93 25.66 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.879 -0.786 . . . . 1.45 108.879 173.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' B' ' 78' ' ' SER . 32.8 m -94.51 144.8 9.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 C-N-CA 120.711 -0.396 . . . . 2.0 110.179 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . 0.547 ' HB3' ' CE3' ' B' ' 76' ' ' TRP . 85.4 mt -113.28 138.73 49.58 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.006 -0.543 . . . . 1.86 110.396 -178.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 42.1 t -133.07 148.37 52.19 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.166 -0.679 . . . . 3.01 109.166 175.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 . . . . . 0 C--N 1.325 -0.498 0 C-N-CA 121.202 -0.199 . . . . 7.45 110.872 179.181 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.492 ' HB2' ' O ' ' B' ' 112' ' ' LEU . 89.5 m-85 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.636 -0.505 . . . . 4.02 109.636 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.6 t -58.22 128.87 39.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.733 -0.667 . . . . 2.58 110.507 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.3 m -58.96 -32.74 48.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 CA-C-N 115.52 -0.764 . . . . 1.8 111.132 178.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.1 t -112.07 139.17 47.81 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.184 -0.462 . . . . 1.75 110.704 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -88.22 117.4 27.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.178 0.513 . . . . 2.87 109.677 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.8 p -130.81 164.05 26.03 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.019 -0.537 . . . . 1.91 110.859 -176.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 56' ' ' THR . 2.5 p -108.79 114.63 47.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.958 -0.565 . . . . 1.88 109.595 176.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.6 t -112.33 105.51 13.81 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.923 -0.581 . . . . 1.95 109.915 -176.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.4 t -128.15 141.8 45.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.965 -0.561 . . . . 1.55 110.85 -175.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.447 ' HA ' ' O ' ' A' ' 53' ' ' PHE . 83.7 m95 -85.64 95.55 9.39 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.589 -0.893 . . . . 1.86 108.589 171.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 81.7 t -90.76 118.04 35.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.272 -0.877 . . . . 1.41 111.222 -172.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.02 15.39 40.07 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.859 -0.686 . . . . 1.36 111.433 177.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -122.36 20.25 10.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.728 0.299 . . . . 3.02 110.931 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.46 ' HZ1' HG22 ' A' ' 104' ' ' ILE . 84.1 tttt -78.25 101.68 7.25 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.254 -0.647 . . . . 1.64 109.254 177.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -93.13 -12.39 30.53 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.16 -0.473 . . . . 2.12 112.199 -171.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.6 p -134.84 132.64 38.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.098 0.475 . . . . 1.54 111.285 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.51 155.97 42.39 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.115 -0.493 . . . . 1.29 110.541 177.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.5 m -98.02 123.79 42.2 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.293 -0.412 . . . . 1.53 111.428 -177.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.441 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 13.0 t70 -65.76 158.63 27.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.637 -0.71 . . . . 1.85 109.234 174.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.409 ' HA ' ' CE2' ' A' ' 86' ' ' PHE . 16.5 tt -59.05 -18.86 14.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.985 -0.552 . . . . 1.74 111.932 -176.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -87.17 -11.19 50.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.81 0.338 . . . . 2.65 111.142 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.54 18.7 15.52 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.682 -0.77 . . . . 1.25 112.827 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -99.41 122.18 42.17 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.79 -0.241 . . . . 2.58 110.64 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -83.79 115.22 22.12 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.08 0.467 . . . . 2.19 109.821 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.5 m -118.09 161.42 17.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.799 -0.637 . . . . 1.48 111.166 -174.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.405 ' HB ' HG22 ' A' ' 92' ' ' THR . 17.8 m -87.22 116.95 25.65 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.274 -0.875 . . . . 1.5 110.074 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.455 ' HA ' HG22 ' A' ' 91' ' ' THR . 43.3 t -85.68 136.53 22.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.992 -0.549 . . . . 1.55 110.953 -175.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.4 mt -92.21 127.48 37.7 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.906 -0.775 . . . . 1.91 108.906 174.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.46 -9.32 58.47 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.138 0.422 . . . . 2.35 112.138 -171.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -140.0 113.1 8.25 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.567 0.698 . . . . 3.59 112.261 -177.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 p -155.34 96.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.127 -0.942 . . . . 2.85 109.42 169.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.469 ' H ' HG12 ' A' ' 48' ' ' VAL . 65.4 m-80 -144.03 116.43 8.55 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.791 -0.641 . . . . 3.25 110.931 -178.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 74.1 mt 70.42 132.78 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-O 121.551 0.691 . . . . 2.98 112.166 172.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.33 62.74 7.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.355 0.597 . . . . 3.91 109.872 176.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -167.33 -54.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.437 -0.801 . . . . 5.31 109.817 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.9 t -136.91 113.82 10.47 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.105 -0.702 . . . . 3.53 109.105 174.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.469 HG12 ' H ' ' A' ' 43' ' ' ASN . 82.0 t -99.66 116.73 43.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.159 -0.473 . . . . 2.78 111.632 -172.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -111.52 174.85 5.67 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.845 -0.616 . . . . 4.85 109.94 173.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -84.74 160.65 20.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.036 0.446 . . . . 5.38 111.196 -176.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -128.21 165.3 20.72 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.862 -0.608 . . . . 5.18 110.545 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -124.79 151.22 45.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.107 -0.497 . . . . 2.96 109.996 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.447 ' O ' ' HA ' ' A' ' 21' ' ' TRP . 85.0 m-85 -107.15 143.6 35.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.217 -0.447 . . . . 1.28 110.033 176.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -84.14 94.72 8.42 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.711 -0.478 . . . . 4.41 109.711 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.464 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 2.9 mm-40 -106.45 106.45 16.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.009 -0.541 . . . . 1.49 110.688 -176.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 29.4 m -111.73 99.08 7.86 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.796 -0.638 . . . . 1.56 109.717 177.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -105.02 139.43 39.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.099 -0.5 . . . . 2.93 111.113 -173.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 66.0 m -74.75 110.83 9.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.611 -0.722 . . . . 1.77 110.624 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -102.52 6.07 39.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.988 -0.551 . . . . 3.84 110.751 -177.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -145.85 144.31 30.16 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.555 -0.748 . . . . 2.96 109.313 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.9 m -158.49 39.08 0.24 Allowed 'General case' 0 C--O 1.234 0.283 0 N-CA-C 111.858 0.318 . . . . 3.02 111.858 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.518 ' OD1' ' HB2' ' A' ' 66' ' ' SER . 3.1 p-10 -112.08 124.24 32.64 Favored Pre-proline 0 C--N 1.326 -0.453 0 C-N-CA 120.573 -0.451 . . . . 2.59 110.146 176.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.429 ' HA ' ' OG ' ' A' ' 78' ' ' SER . 37.2 Cg_exo -21.99 -64.16 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.713 1 C-N-CA 126.173 4.582 . . . . 2.81 116.706 -164.462 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.514 HG21 ' H ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER -95.91 -92.75 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 113.603 0.964 . . . . 2.53 113.603 -168.879 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.514 ' H ' HG21 ' A' ' 64' ' ' VAL . 10.5 pt-20 -49.74 -38.45 33.63 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 113.429 0.9 . . . . 4.19 113.429 -169.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.518 ' HB2' ' OD1' ' A' ' 62' ' ' ASN . 14.8 m -128.58 48.46 2.31 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.515 0.674 . . . . 4.07 109.847 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -138.25 -84.77 0.13 Allowed Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.195 -0.911 . . . . 2.7 111.029 177.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 78' ' ' SER . 84.9 m -134.74 -25.4 1.44 Allowed 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.893 -0.323 . . . . 1.76 111.202 176.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.406 ' C ' ' H ' ' A' ' 71' ' ' ILE . 98.2 mtt180 67.81 151.19 0.07 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.014 0.526 . . . . 4.4 111.323 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 77.24 -38.78 1.61 Allowed Glycine 0 CA--C 1.52 0.395 0 C-N-CA 121.018 -0.611 . . . . 1.61 112.834 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.406 ' H ' ' C ' ' A' ' 69' ' ' ARG . 48.4 mm -55.62 134.53 19.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 123.036 0.534 . . . . 2.04 111.324 179.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -76.19 114.86 15.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.985 -0.552 . . . . 3.32 110.155 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.3 p -79.67 -6.77 57.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.948 0.404 . . . . 4.99 111.66 -175.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -79.48 -47.62 15.32 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.58 -0.282 . . . . 3.32 110.374 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -96.73 -28.27 14.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.175 -0.466 . . . . 4.16 111.228 -178.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -121.54 157.43 30.72 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.437 0.637 . . . . 3.71 111.215 -176.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -124.9 133.16 53.17 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.319 -0.993 . . . . 3.0 108.319 169.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.459 ' HB2' ' SG ' ' A' ' 68' ' ' CYS . 2.1 p -104.17 133.86 48.39 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.103 0.478 . . . . 2.16 110.861 -177.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.437 ' O ' HG23 ' A' ' 111' ' ' VAL . 72.0 t80 -140.58 140.38 35.13 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.777 -0.647 . . . . 4.07 110.021 -178.14 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.494 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 66.8 m -95.14 119.06 32.99 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.266 -0.425 . . . . 1.67 110.207 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.1 m -110.37 131.89 54.66 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.36 -0.382 . . . . 2.49 110.611 -178.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.5 103.25 13.48 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 121.09 0.471 . . . . 3.09 111.22 177.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.0 m -76.35 130.52 38.2 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 109.229 -0.656 . . . . 3.17 109.229 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.5 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 64.5 m-70 -105.03 134.09 48.71 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.468 -0.333 . . . . 4.4 110.399 -176.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.638 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 3.0 t -108.8 162.79 13.85 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.899 -0.778 . . . . 1.61 108.899 175.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.484 ' CE2' ' HB3' ' A' ' 103' ' ' ARG . 97.3 m-85 -109.27 116.07 31.2 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.051 0.453 . . . . 2.52 110.598 -176.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.2 m -110.8 138.42 39.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.636 -0.711 . . . . 1.59 109.976 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 13.8 pttp -88.8 107.73 19.13 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.553 0.692 . . . . 4.22 110.575 -179.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.61 153.93 46.75 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.326 -0.852 . . . . 1.57 110.333 -177.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.4 tp -75.14 104.92 5.9 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.45 -0.574 . . . . 1.87 109.45 177.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.455 HG22 ' HA ' ' A' ' 38' ' ' VAL . 52.3 p -123.05 157.79 32.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.288 -0.415 . . . . 1.44 110.056 -178.14 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.405 HG22 ' HB ' ' A' ' 37' ' ' THR . 8.8 t -112.63 125.84 54.72 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.334 0.588 . . . . 1.63 110.375 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -68.06 -33.84 75.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.455 -0.793 . . . . 2.47 109.895 178.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -169.52 -40.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.676 -0.693 . . . . 3.09 110.355 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -131.85 -67.37 0.68 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.481 . . . . 3.75 110.644 -178.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -73.45 139.49 45.84 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.981 -0.554 . . . . 3.02 111.039 -177.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -95.98 131.06 42.75 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.727 -0.669 . . . . 1.8 110.087 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.94 150.66 40.04 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.401 -0.363 . . . . 1.79 110.432 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -69.7 109.7 4.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.106 -0.497 . . . . 2.88 110.292 177.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.485 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 34.2 mmt180 -113.82 153.06 29.77 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.092 -0.504 . . . . 3.92 109.871 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.441 ' O ' ' HA ' ' A' ' 30' ' ' ASP . 86.3 m-85 -92.37 103.58 16.01 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.927 -0.768 . . . . 2.74 108.927 174.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 30.6 pt -112.17 143.33 22.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.168 0.508 . . . . 1.33 110.756 -172.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.638 ' HA ' ' O ' ' A' ' 85' ' ' THR . 38.1 ptt180 -85.51 133.55 34.08 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.681 -0.69 . . . . 4.27 111.382 -175.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.5 ' O ' ' HA ' ' A' ' 84' ' ' HIS . 40.8 pt -122.61 152.84 27.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 CA-C-N 115.482 -0.781 . . . . 1.36 109.991 175.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.464 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 4.7 m-20 -72.51 100.75 2.8 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 108.628 -0.879 . . . . 1.69 108.628 178.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.23 -46.77 5.71 Favored 'General case' 0 C--N 1.315 -0.933 0 C-N-CA 120.605 -0.438 . . . . 2.66 112.069 -168.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -132.81 141.72 48.62 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.895 0.379 . . . . 1.64 111.239 -174.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.494 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 45.9 t -107.37 98.76 8.35 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.467 -0.938 . . . . 1.59 108.467 174.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 32.4 m -99.12 143.67 13.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.117 -0.492 . . . . 1.52 111.559 -171.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 35.1 t -86.7 113.25 22.4 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.777 -0.647 . . . . 1.45 109.423 174.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 79' ' ' TYR . 23.6 m -108.35 145.63 15.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.168 -0.469 . . . . 2.0 109.866 178.329 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.436 ' O ' ' HB2' ' B' ' 12' ' ' PHE . 67.7 mt -106.66 138.18 43.31 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.216 0.532 . . . . 1.86 110.705 178.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.3 t -114.95 138.78 50.43 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 108.721 -0.844 . . . . 3.01 108.721 173.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 . . . . . 0 C--N 1.326 -0.419 0 CA-C-O 121.187 0.518 . . . . 7.46 109.974 -179.2 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . 0.436 ' HB2' ' O ' ' A' ' 112' ' ' LEU . 89.6 m-85 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.606 -0.516 . . . . 4.01 109.606 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 48.4 t -58.29 128.97 39.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.725 -0.671 . . . . 2.58 110.346 -179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.4 m -58.9 -32.96 48.4 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.172 0 CA-C-N 115.707 -0.679 . . . . 1.81 111.193 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 50.7 t -111.9 138.99 47.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.219 -0.446 . . . . 1.75 110.639 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -87.84 117.36 26.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.081 -0.509 . . . . 2.87 109.696 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.4 p -130.82 164.19 25.73 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.055 -0.521 . . . . 1.91 110.642 -176.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' B' ' 56' ' ' THR . 2.5 p -108.86 114.65 47.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.558 -0.534 . . . . 1.88 109.558 176.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.9 t -112.27 105.93 14.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.931 -0.577 . . . . 1.95 109.871 -176.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 91.4 t -128.45 141.39 46.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.806 -0.634 . . . . 1.55 110.964 -175.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . 0.441 ' HA ' ' O ' ' B' ' 53' ' ' PHE . 84.4 m95 -85.1 95.41 9.11 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.769 -0.826 . . . . 1.86 108.769 170.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 82.5 t -90.77 117.89 34.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.237 -0.892 . . . . 1.41 111.224 -172.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.04 15.04 40.34 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.781 -0.723 . . . . 1.36 111.463 177.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -122.1 20.79 10.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.718 0.295 . . . . 3.01 110.872 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.444 ' HZ1' HG22 ' B' ' 104' ' ' ILE . 84.2 tttt -78.55 102.34 7.87 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.181 -0.674 . . . . 1.64 109.181 177.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 9.9 t -94.05 -12.43 28.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.227 -0.442 . . . . 2.11 112.123 -171.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 6.6 p -134.6 132.57 39.19 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.87 0.367 . . . . 1.53 111.344 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.49 156.11 42.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.126 -0.488 . . . . 1.29 110.539 177.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 23.4 m -98.21 123.88 42.5 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.377 -0.374 . . . . 1.52 111.376 -177.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . 0.432 ' HA ' ' O ' ' B' ' 101' ' ' PHE . 11.9 t70 -65.66 158.82 26.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.637 -0.711 . . . . 1.84 109.155 174.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.403 ' HA ' ' CE2' ' B' ' 86' ' ' PHE . 16.4 tt -59.47 -18.29 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.855 -0.612 . . . . 1.74 111.91 -176.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 39.3 mttp -87.77 -10.67 50.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.816 0.341 . . . . 2.65 111.18 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.06 18.46 17.37 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.642 -0.789 . . . . 1.25 112.728 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -99.13 122.34 42.22 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.865 -0.197 . . . . 2.58 110.642 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -83.86 115.3 22.19 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.08 0.467 . . . . 2.19 109.79 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 m -118.2 161.59 16.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.649 -0.705 . . . . 1.48 111.274 -174.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' THR . . . . . 0.406 ' HB ' HG22 ' B' ' 92' ' ' THR . 18.6 m -87.69 116.56 25.92 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.365 -0.834 . . . . 1.5 110.023 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.447 ' HA ' HG22 ' B' ' 91' ' ' THR . 42.7 t -85.43 136.32 23.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.877 -0.601 . . . . 1.55 111.086 -175.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 68.1 mt -92.03 127.39 37.48 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.895 -0.78 . . . . 1.91 108.895 175.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.25 -9.24 58.38 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.176 0.435 . . . . 2.34 112.176 -171.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -140.01 113.09 8.24 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 121.654 0.74 . . . . 3.59 112.236 -177.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 p -155.4 96.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.161 -0.927 . . . . 2.85 109.308 169.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . 0.484 ' H ' HG12 ' B' ' 48' ' ' VAL . 65.3 m-80 -144.13 116.14 8.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.876 -0.602 . . . . 3.25 110.948 -178.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 74.0 mt 70.47 132.81 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 121.589 0.709 . . . . 2.98 112.214 172.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.96 62.21 7.31 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.168 0.508 . . . . 3.91 110.0 176.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -166.72 -55.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.596 -0.729 . . . . 5.31 109.645 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 23.0 t -136.5 113.88 10.83 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.111 -0.7 . . . . 3.54 109.111 174.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . 0.484 HG12 ' H ' ' B' ' 43' ' ' ASN . 84.5 t -99.65 116.81 43.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.201 -0.454 . . . . 2.78 111.706 -172.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -111.66 174.86 5.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.912 -0.585 . . . . 4.84 109.786 173.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -84.88 160.47 20.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.023 0.44 . . . . 5.38 111.262 -176.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -128.03 165.0 21.15 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.757 -0.656 . . . . 5.18 110.605 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -124.57 151.08 45.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.167 -0.47 . . . . 2.96 110.196 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . 0.441 ' O ' ' HA ' ' B' ' 21' ' ' TRP . 84.9 m-85 -107.04 143.76 34.68 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.122 -0.49 . . . . 1.28 110.016 176.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -84.38 94.9 8.59 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.692 -0.485 . . . . 4.41 109.692 -178.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . 0.451 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 2.9 mm-40 -106.75 106.34 16.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 1.49 110.571 -176.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.441 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 30.0 m -111.82 98.95 7.75 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.873 -0.603 . . . . 1.57 109.694 177.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -104.91 139.12 40.11 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.144 0.497 . . . . 2.93 111.226 -172.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 66.0 m -74.34 111.1 9.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.689 -0.687 . . . . 1.77 110.603 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -103.02 6.16 38.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.969 -0.559 . . . . 3.85 110.503 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -145.88 144.35 30.15 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.809 -0.632 . . . . 2.96 109.454 178.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 70.1 m -158.32 38.48 0.25 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.947 0.351 . . . . 3.01 111.947 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . 0.526 ' OD1' ' HB2' ' B' ' 66' ' ' SER . 3.1 p-10 -111.85 124.26 32.74 Favored Pre-proline 0 C--N 1.326 -0.419 0 C-N-CA 120.351 -0.54 . . . . 2.59 110.192 176.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' PRO . . . . . 0.445 ' HA ' ' OG ' ' B' ' 78' ' ' SER . 36.4 Cg_exo -21.85 -64.47 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.692 1 C-N-CA 126.137 4.558 . . . . 2.81 116.706 -164.479 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' VAL . . . . . 0.517 HG21 ' H ' ' B' ' 65' ' ' GLU . 0.4 OUTLIER -95.46 -92.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 113.641 0.978 . . . . 2.53 113.641 -169.013 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . 0.517 ' H ' HG21 ' B' ' 64' ' ' VAL . 10.6 pt-20 -49.49 -38.85 31.69 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.292 0.849 . . . . 4.2 113.292 -169.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' SER . . . . . 0.526 ' HB2' ' OD1' ' B' ' 62' ' ' ASN . 14.2 m -128.46 48.15 2.35 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.563 0.696 . . . . 4.07 109.757 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -137.94 -85.02 0.14 Allowed Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.102 -0.954 . . . . 2.7 110.963 177.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.451 ' SG ' ' HB2' ' B' ' 78' ' ' SER . 84.0 m -134.49 -25.24 1.51 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.864 -0.334 . . . . 1.76 111.312 176.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 67.77 151.16 0.07 Allowed 'General case' 0 N--CA 1.472 0.626 0 O-C-N 123.557 0.535 . . . . 4.4 111.285 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 77.12 -38.37 1.57 Allowed Glycine 0 CA--C 1.519 0.311 0 C-N-CA 121.02 -0.61 . . . . 1.61 112.876 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 48.7 mm -55.76 135.21 19.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 122.958 0.503 . . . . 2.04 111.371 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -76.75 114.26 15.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.908 -0.587 . . . . 3.32 110.072 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 29.1 p -79.01 -7.07 57.79 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.162 -0.472 . . . . 4.99 111.759 -175.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -79.46 -47.49 15.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.985 0.421 . . . . 3.33 110.24 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -96.72 -28.59 14.23 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.041 -0.527 . . . . 4.16 111.224 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -121.08 157.41 30.12 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.329 0.585 . . . . 3.7 111.29 -176.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -124.77 133.17 53.24 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.285 -1.006 . . . . 3.0 108.285 169.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.451 ' HB2' ' SG ' ' B' ' 68' ' ' CYS . 2.0 p -104.24 134.1 48.05 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.104 0.478 . . . . 2.16 110.887 -177.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . 0.429 ' O ' HG23 ' B' ' 111' ' ' VAL . 73.2 t80 -140.91 140.34 34.49 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.618 -0.719 . . . . 4.07 110.04 -178.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . 0.492 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 67.0 m -95.2 118.98 32.93 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.211 -0.45 . . . . 1.67 110.224 179.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 22.5 m -110.39 131.99 54.57 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.341 -0.391 . . . . 2.49 110.624 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.55 103.06 13.35 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.085 -0.507 . . . . 3.09 111.287 177.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 9.5 m -76.26 130.43 38.15 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 109.385 -0.598 . . . . 3.17 109.385 176.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' HIS . . . . . 0.49 ' HA ' ' O ' ' B' ' 104' ' ' ILE . 65.8 m-70 -105.04 133.91 49.02 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.398 -0.365 . . . . 4.39 110.464 -176.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' THR . . . . . 0.626 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 3.1 t -108.88 162.7 13.95 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.9 -0.778 . . . . 1.61 108.9 175.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.484 ' CE2' ' HB3' ' B' ' 103' ' ' ARG . 97.2 m-85 -109.15 115.94 30.99 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.095 0.474 . . . . 2.52 110.594 -176.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 27.3 m -110.76 138.51 38.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.662 -0.699 . . . . 1.59 109.94 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 13.9 pttp -88.89 107.67 19.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.519 0.676 . . . . 4.22 110.511 -179.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.58 153.89 46.76 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.248 -0.887 . . . . 1.57 110.382 -177.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 19.1 tp -75.04 105.0 5.84 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.521 -0.548 . . . . 1.87 109.521 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' THR . . . . . 0.447 HG22 ' HA ' ' B' ' 38' ' ' VAL . 55.6 p -123.2 157.71 32.43 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.294 -0.412 . . . . 1.44 109.973 -178.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' THR . . . . . 0.406 HG22 ' HB ' ' B' ' 37' ' ' THR . 8.6 t -112.66 125.8 54.69 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.512 0.673 . . . . 1.63 110.413 -179.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -67.97 -33.87 75.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.395 -0.821 . . . . 2.46 110.004 178.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -169.78 -40.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.599 -0.728 . . . . 3.09 110.394 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -132.17 -67.93 0.64 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.213 -0.449 . . . . 3.76 110.533 -178.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -72.82 139.7 47.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.954 -0.566 . . . . 3.02 111.137 -178.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.54 130.85 43.64 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.658 -0.701 . . . . 1.8 110.176 178.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.65 150.84 40.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.395 -0.366 . . . . 1.79 110.525 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -69.83 110.01 4.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.139 -0.482 . . . . 2.87 110.198 177.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' ARG . . . . . 0.486 ' O ' ' HA ' ' B' ' 88' ' ' LYS . 34.0 mmt180 -114.06 153.3 29.68 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.961 -0.563 . . . . 3.93 109.806 179.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.432 ' O ' ' HA ' ' B' ' 30' ' ' ASP . 86.1 m-85 -92.66 103.51 15.88 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.891 -0.781 . . . . 2.75 108.891 174.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 30.0 pt -112.13 143.4 21.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.136 0.493 . . . . 1.33 110.7 -172.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . 0.626 ' HA ' ' O ' ' B' ' 85' ' ' THR . 38.2 ptt180 -85.62 133.52 34.04 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.661 -0.699 . . . . 4.28 111.369 -175.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' ILE . . . . . 0.49 ' O ' ' HA ' ' B' ' 84' ' ' HIS . 40.9 pt -122.63 152.77 27.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.462 -0.79 . . . . 1.36 109.949 175.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . 0.451 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 4.5 m-20 -72.42 100.73 2.75 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 108.782 -0.821 . . . . 1.69 108.782 177.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.21 -46.69 5.74 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 120.681 -0.407 . . . . 2.65 111.989 -167.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -133.06 141.44 48.23 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.935 0.397 . . . . 1.64 111.333 -174.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . 0.492 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 46.0 t -107.29 98.58 8.19 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.554 -0.906 . . . . 1.6 108.554 174.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 32.5 m -98.96 143.75 12.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.976 -0.556 . . . . 1.53 111.596 -171.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 35.3 t -86.73 113.23 22.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.798 -0.637 . . . . 1.45 109.479 174.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.429 HG23 ' O ' ' B' ' 79' ' ' TYR . 23.0 m -108.28 145.58 15.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.148 -0.478 . . . . 2.0 109.97 178.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . 0.492 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 67.7 mt -106.7 138.26 43.2 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.331 0.586 . . . . 1.86 110.613 178.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 40.1 t -115.15 138.35 51.0 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.299 -0.864 . . . . 3.01 108.692 173.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' B' ' 114' ' ' ARG . 41.7 ttp180 . . . . . 0 C--N 1.325 -0.486 0 CA-C-O 121.229 0.537 . . . . 7.45 110.143 -179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 121.224 0.535 . . . . 4.02 110.016 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.4 m -83.18 150.41 26.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.474 -0.785 . . . . 2.58 110.765 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.0 m -59.74 -36.99 69.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 121.132 0.491 . . . . 1.8 111.016 174.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.435 ' HA ' ' HG3' ' A' ' 63' ' ' PRO . 45.1 t -122.76 151.99 41.06 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.615 -0.513 . . . . 1.75 109.615 176.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -88.41 114.2 24.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.199 0.523 . . . . 2.87 110.431 -175.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.4 m -105.6 154.25 20.67 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.708 -0.678 . . . . 1.91 110.56 -177.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 56' ' ' THR . 4.2 p -120.62 114.32 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.022 0.439 . . . . 1.88 110.602 174.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.1 m -97.41 116.83 30.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.264 -0.426 . . . . 1.95 110.454 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.7 t -119.36 138.09 51.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.185 -0.462 . . . . 1.55 110.696 -178.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -102.76 96.32 6.78 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.137 -0.69 . . . . 1.86 109.137 173.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.5 t -77.46 123.07 33.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.386 -0.824 . . . . 1.41 110.618 -175.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.86 -11.54 54.77 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.568 -0.825 . . . . 1.36 111.73 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -138.82 79.46 1.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.159 0.504 . . . . 3.02 110.461 -178.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -97.95 136.7 37.86 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.89 -0.781 . . . . 1.64 108.89 175.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.9 t -111.48 -27.08 8.75 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.662 0.616 . . . . 2.12 112.662 -173.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.2 p -137.24 142.6 42.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.04 0.448 . . . . 1.54 111.895 -178.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -150.84 171.34 17.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.748 -0.66 . . . . 1.29 110.109 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.3 m -117.87 121.2 40.11 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.602 0.239 . . . . 1.53 110.392 177.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.458 ' OD2' ' HB3' ' A' ' 100' ' ' ARG . 17.5 t70 -74.19 163.67 27.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.944 -0.571 . . . . 1.85 110.029 178.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.9 tt -63.93 -21.31 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.34 -0.391 . . . . 1.74 111.261 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.404 ' HG3' ' OD1' ' A' ' 30' ' ' ASP . 64.5 mttm -75.39 -13.13 60.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.028 0.442 . . . . 2.65 110.61 176.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.9 18.37 34.77 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 111.486 -0.646 . . . . 1.25 111.486 -178.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -92.12 134.86 34.46 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.678 0.275 . . . . 2.58 110.93 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -84.2 114.32 21.72 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.528 -0.915 . . . . 2.19 108.528 172.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.4 m -115.58 149.79 17.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-O 121.196 0.522 . . . . 1.48 111.342 -172.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.45 ' HB ' ' CG2' ' A' ' 92' ' ' THR . 30.4 m -85.83 115.81 23.7 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.209 -0.905 . . . . 1.5 109.239 175.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.486 ' HA ' HG22 ' A' ' 91' ' ' THR . 46.6 t -81.79 139.8 17.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.105 -0.498 . . . . 1.55 110.203 -178.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 66.8 mt -96.88 121.78 39.12 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.537 -0.542 . . . . 1.91 109.537 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.26 -39.3 92.45 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.317 0.58 . . . . 2.35 109.457 177.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -106.45 114.84 29.2 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.154 -0.93 . . . . 3.59 108.793 175.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.474 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 31.0 m -90.59 121.78 41.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.366 0.603 . . . . 2.85 110.203 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -92.72 102.6 15.01 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.639 -0.71 . . . . 3.25 110.369 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.7 mt -100.2 62.35 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 108.921 -0.77 . . . . 2.98 108.921 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.441 ' N ' HD21 ' A' ' 45' ' ' ASN . 0.9 OUTLIER 67.27 -79.43 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.035 -0.984 . . . . 3.91 111.369 -179.263 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -103.67 -10.46 18.36 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.891 0.33 . . . . 5.31 111.891 -175.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.7 t -122.8 115.68 22.43 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.885 0.374 . . . . 3.53 110.477 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.474 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 23.0 t -115.51 122.04 68.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.008 -0.542 . . . . 2.78 109.606 177.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.469 ' O ' HG23 ' A' ' 42' ' ' VAL . 43.9 p90 -163.13 171.35 16.48 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.686 0.279 . . . . 4.85 110.306 -177.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -105.88 117.31 33.7 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.218 0.532 . . . . 5.38 110.104 175.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -84.06 -8.58 59.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.677 -0.692 . . . . 5.18 111.196 -176.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 69.34 150.9 0.09 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.499 -0.773 . . . . 2.96 111.401 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -123.96 119.7 30.34 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.892 -0.595 . . . . 1.28 110.04 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.435 ' O ' HD12 ' A' ' 104' ' ' ILE . 29.0 p90 -84.28 116.88 23.21 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.321 0.581 . . . . 4.41 110.8 -177.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -123.48 111.76 16.7 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.903 -0.589 . . . . 1.49 109.807 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.465 ' HB ' ' O ' ' A' ' 106' ' ' THR . 44.4 m -99.49 102.25 13.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.179 0.514 . . . . 1.56 109.65 175.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -104.48 172.38 6.83 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.491 -0.777 . . . . 2.93 111.299 -171.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 72.7 m -96.68 107.43 19.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.336 -0.847 . . . . 1.77 109.961 175.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -93.7 8.59 40.37 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.557 0.694 . . . . 3.84 109.639 174.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -154.45 117.46 4.45 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.859 -1.064 . . . . 2.96 108.977 175.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.3 p -74.31 -26.62 60.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.066 0.46 . . . . 3.02 110.07 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -148.62 109.13 3.57 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.29 -0.868 . . . . 2.59 109.217 174.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.435 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 25.2 Cg_endo -60.91 -37.23 78.88 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.486 2.124 . . . . 2.81 111.732 -178.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.5 m -134.86 157.79 41.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.636 -0.711 . . . . 2.53 109.173 177.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -75.95 -8.75 57.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.746 0.308 . . . . 4.19 111.407 -175.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.9 m -89.02 -6.01 57.5 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.376 -0.374 . . . . 4.07 110.865 176.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.09 -121.89 3.51 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.737 -0.744 . . . . 2.7 112.294 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 71.9 m -118.05 56.38 0.86 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.665 -0.315 . . . . 1.76 111.185 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 63.21 89.89 0.08 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.86 -0.609 . . . . 4.4 111.849 173.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.89 -27.69 11.63 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.603 -0.808 . . . . 1.61 112.428 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.1 mm -58.68 137.85 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.682 0.277 . . . . 2.04 110.917 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -83.81 116.96 22.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.995 -0.548 . . . . 3.32 110.289 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.1 m -73.05 -6.04 42.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.005 -0.543 . . . . 4.99 112.329 -173.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -93.15 -26.6 17.35 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.007 0.432 . . . . 3.32 110.647 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -104.91 -34.52 8.01 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.175 -0.466 . . . . 4.16 111.379 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.531 ' CE3' ' HB3' ' A' ' 112' ' ' LEU . 99.1 m95 -130.1 138.45 50.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.188 0.518 . . . . 3.71 111.609 -175.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.418 ' HB3' ' OG ' ' A' ' 113' ' ' SER . 27.5 t-20 -106.93 134.14 50.53 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 107.943 -1.132 . . . . 3.0 107.943 167.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.585 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 9.9 m -114.55 151.3 33.6 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.909 0.385 . . . . 2.16 111.385 -172.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.427 ' O ' HG22 ' A' ' 111' ' ' VAL . 79.5 t80 -153.06 134.63 14.44 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.843 -0.617 . . . . 4.07 110.016 175.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.681 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 76.4 m -87.94 126.39 35.03 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.108 0.48 . . . . 1.67 110.988 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 109' ' ' VAL . 43.1 m -126.13 132.58 51.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.723 -0.672 . . . . 2.49 109.873 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.4 t -79.83 132.84 36.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.2 0.524 . . . . 3.09 110.157 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.2 p -86.62 155.87 20.26 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.953 -0.567 . . . . 3.17 110.428 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.417 ' HB2' ' HB2' ' A' ' 103' ' ' ARG . 19.0 p80 -124.07 120.13 31.49 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.8 0.333 . . . . 4.4 110.854 -178.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.686 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 10.8 t -112.03 160.24 17.68 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.375 -0.602 . . . . 1.61 109.375 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.439 ' HA ' ' O ' ' A' ' 102' ' ' ILE . 88.4 m-85 -109.25 116.23 31.5 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.002 0.43 . . . . 2.52 110.482 -177.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.9 m -115.22 155.16 16.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.83 -0.623 . . . . 1.59 110.824 -178.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 46.1 mtpt -83.0 107.94 15.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.178 -0.464 . . . . 4.22 110.334 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.71 140.25 52.19 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.789 -0.642 . . . . 1.57 110.259 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.7 tp -74.1 104.44 4.92 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.058 -0.719 . . . . 1.87 109.058 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.486 HG22 ' HA ' ' A' ' 38' ' ' VAL . 66.5 p -129.32 166.48 19.4 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.927 -0.578 . . . . 1.44 109.732 -176.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.45 ' CG2' ' HB ' ' A' ' 37' ' ' THR . 8.8 t -118.3 116.11 26.09 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.311 0.577 . . . . 1.63 110.252 177.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -94.42 -24.92 17.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.91 -0.586 . . . . 2.47 111.038 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -124.74 -90.6 0.56 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.741 -0.209 . . . . 3.09 110.651 176.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -134.63 3.53 3.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.699 0.285 . . . . 3.75 111.618 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -124.97 159.52 31.06 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.064 -0.347 . . . . 3.02 110.064 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.48 128.49 44.29 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.271 -0.422 . . . . 1.8 110.026 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.13 152.56 41.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.316 -0.402 . . . . 1.79 110.46 -178.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -75.49 100.06 4.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.157 -0.474 . . . . 2.88 110.274 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.462 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 33.1 mmt180 -99.89 165.86 11.35 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.694 -0.685 . . . . 3.92 110.102 -178.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -104.64 101.78 11.4 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.572 -0.899 . . . . 2.74 108.572 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.439 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 44.7 pt -112.12 144.81 19.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.048 0.451 . . . . 1.33 111.348 -170.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.686 ' HA ' ' O ' ' A' ' 85' ' ' THR . 13.9 ptm180 -79.61 123.79 27.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.149 -0.932 . . . . 4.27 111.203 -179.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.435 HD12 ' O ' ' A' ' 54' ' ' PHE . 35.5 pt -125.29 158.05 33.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.481 -0.781 . . . . 1.36 110.015 173.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -65.79 118.29 9.43 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.729 -0.668 . . . . 1.69 110.031 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.465 ' O ' ' HB ' ' A' ' 56' ' ' THR . 1.7 m -93.07 -57.03 2.76 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.776 -0.647 . . . . 2.66 111.217 -172.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -159.35 155.81 27.45 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.824 -0.625 . . . . 1.64 110.054 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.681 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 35.5 t -96.17 108.95 21.47 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.479 -0.563 . . . . 1.59 109.479 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 81' ' ' THR . 21.9 m -99.45 150.32 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.963 -0.562 . . . . 1.52 110.663 -174.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.585 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 54.0 t -101.06 115.25 30.05 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.584 -0.524 . . . . 1.45 109.584 177.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 79' ' ' TYR . 15.3 m -89.59 149.12 4.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.705 -0.48 . . . . 2.0 109.705 177.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.531 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . 93.9 mt -118.91 139.54 51.47 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.004 0.431 . . . . 1.86 110.545 -178.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.418 ' OG ' ' HB3' ' A' ' 77' ' ' ASN . 28.8 p -131.46 150.0 52.32 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.187 -0.46 . . . . 3.01 110.023 175.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 116.379 -0.373 . . . . 7.46 111.891 -178.358 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 . . . . . 0 N--CA 1.456 -0.155 0 CA-C-O 121.192 0.52 . . . . 4.01 110.062 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 4.4 m -82.81 150.45 26.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.531 -0.758 . . . . 2.58 110.815 -177.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.8 m -59.72 -37.17 69.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 121.13 0.491 . . . . 1.81 110.918 174.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.437 ' HA ' ' HG3' ' B' ' 63' ' ' PRO . 45.7 t -122.58 152.1 40.76 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.529 -0.545 . . . . 1.75 109.529 176.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -88.44 114.21 24.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.143 0.497 . . . . 2.87 110.339 -175.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' SER . . . . . 0.401 ' OG ' ' HB3' ' B' ' 108' ' ' CYS . 26.0 m -105.35 154.78 19.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.72 -0.673 . . . . 1.91 110.58 -177.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' B' ' 56' ' ' THR . 4.3 p -121.22 114.3 42.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.069 0.461 . . . . 1.88 110.587 174.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 48.3 m -97.09 116.67 29.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.219 -0.446 . . . . 1.95 110.371 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 60.9 t -119.34 137.94 51.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.346 -0.388 . . . . 1.55 110.687 -178.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 86.2 m95 -102.52 96.45 6.92 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.144 -0.688 . . . . 1.86 109.144 173.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 43.4 t -77.56 123.25 33.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.405 -0.816 . . . . 1.41 110.467 -175.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.02 -11.56 54.42 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.539 -0.839 . . . . 1.36 111.697 178.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -138.59 80.0 1.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.111 0.482 . . . . 3.01 110.352 -178.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -98.34 136.56 38.33 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.852 -0.796 . . . . 1.64 108.852 174.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 14.2 t -111.49 -26.86 8.85 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.671 0.619 . . . . 2.11 112.671 -173.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 6.8 p -137.25 142.67 42.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 121.92 -0.488 . . . . 1.53 111.892 -178.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -150.75 171.28 17.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.903 -0.59 . . . . 1.29 110.269 175.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 16.9 m -117.74 121.36 40.62 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.685 0.279 . . . . 1.52 110.445 177.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . 0.478 ' OD2' ' HB3' ' B' ' 100' ' ' ARG . 17.4 t70 -74.2 163.65 27.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.864 -0.607 . . . . 1.84 109.885 178.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.0 tt -63.87 -21.43 28.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.063 0.459 . . . . 1.74 111.233 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.406 ' HG3' ' OD1' ' B' ' 30' ' ' ASP . 64.4 mttm -75.21 -13.4 60.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.427 -0.351 . . . . 2.65 110.502 176.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.19 17.87 35.69 Favored Glycine 0 N--CA 1.45 -0.417 0 N-CA-C 111.546 -0.621 . . . . 1.25 111.546 -178.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -91.68 135.09 34.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.677 0.275 . . . . 2.58 110.982 -178.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -84.52 114.28 21.83 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.517 -0.92 . . . . 2.19 108.517 172.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 m -115.51 149.91 17.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-O 121.174 0.511 . . . . 1.48 111.362 -172.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' THR . . . . . 0.441 ' HB ' ' CG2' ' B' ' 92' ' ' THR . 27.9 m -85.96 115.89 23.85 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 115.222 -0.899 . . . . 1.5 109.297 175.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.493 ' HA ' HG22 ' B' ' 91' ' ' THR . 47.2 t -81.99 140.14 16.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.06 -0.518 . . . . 1.55 109.992 -177.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 66.9 mt -97.27 121.88 39.67 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.573 -0.528 . . . . 1.91 109.573 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.19 92.26 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.928 -0.578 . . . . 2.34 109.544 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -106.37 114.66 28.92 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.224 -0.898 . . . . 3.59 108.93 175.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.47 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 32.0 m -90.58 121.92 41.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.368 0.604 . . . . 2.85 110.149 -178.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -92.56 102.41 14.85 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.517 0.675 . . . . 3.25 110.408 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 14.5 mt -100.3 62.24 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 108.976 -0.75 . . . . 2.98 108.976 177.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . 0.433 ' N ' HD21 ' B' ' 45' ' ' ASN . 0.9 OUTLIER 67.27 -79.25 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 114.944 -1.025 . . . . 3.91 111.311 -179.43 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -103.48 -10.78 18.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.416 -0.356 . . . . 5.31 111.822 -175.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 20.5 t -122.81 115.48 22.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.963 0.411 . . . . 3.54 110.425 -176.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 22.8 t -114.94 122.79 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.932 -0.576 . . . . 2.78 109.466 177.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . 0.467 ' O ' HG23 ' B' ' 42' ' ' VAL . 43.7 p90 -163.78 171.21 15.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.722 0.296 . . . . 4.84 110.506 -178.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -105.64 116.9 32.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.087 0.47 . . . . 5.38 110.246 175.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -83.83 -8.53 59.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.826 -0.624 . . . . 5.18 111.19 -176.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 69.2 150.84 0.08 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.443 -0.798 . . . . 2.96 111.368 -178.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -124.0 119.57 29.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.875 -0.602 . . . . 1.28 110.017 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . 0.446 ' O ' HD12 ' B' ' 104' ' ' ILE . 29.2 p90 -84.17 116.85 23.14 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.226 0.536 . . . . 4.41 110.772 -177.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -123.31 111.71 16.74 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.868 -0.605 . . . . 1.49 109.862 177.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.465 ' HB ' ' O ' ' B' ' 106' ' ' THR . 45.7 m -99.49 102.12 13.57 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.485 -0.561 . . . . 1.57 109.485 175.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -104.46 172.13 6.96 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.613 -0.721 . . . . 2.93 111.242 -171.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 70.3 m -96.32 107.34 19.69 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.394 -0.821 . . . . 1.77 110.007 175.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -93.57 8.45 40.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.529 0.681 . . . . 3.85 109.684 174.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -154.41 117.21 4.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.847 -1.069 . . . . 2.96 109.154 175.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 17.5 p -74.26 -26.29 60.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.164 0.507 . . . . 3.01 110.208 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -148.58 109.52 3.59 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.233 -0.894 . . . . 2.59 109.046 174.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' PRO . . . . . 0.437 ' HG3' ' HA ' ' B' ' 15' ' ' CYS . 25.4 Cg_endo -61.4 -36.66 77.05 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.523 2.149 . . . . 2.81 111.789 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 31.5 m -135.24 158.2 40.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.662 -0.699 . . . . 2.53 109.226 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -76.32 -8.87 58.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.675 0.274 . . . . 4.2 111.295 -175.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 9.2 m -89.12 -6.09 57.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.274 -0.421 . . . . 4.07 110.855 176.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.35 -121.78 3.43 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.731 . . . . 2.7 112.323 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 71.9 m -118.26 55.9 0.88 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.596 0.236 . . . . 1.76 111.236 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 63.75 89.64 0.09 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.76 -0.654 . . . . 4.4 111.849 173.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.85 -27.07 12.56 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.618 -0.801 . . . . 1.61 112.405 177.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 49.0 mm -59.31 137.63 21.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.728 0.299 . . . . 2.04 111.053 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -83.52 117.0 22.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.142 -0.481 . . . . 3.32 110.351 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 4.8 m -73.07 -6.21 44.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.912 -0.585 . . . . 4.99 112.239 -173.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -93.38 -26.27 17.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.097 0.475 . . . . 3.33 110.789 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -105.23 -34.14 8.0 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.113 -0.494 . . . . 4.16 111.417 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' TRP . . . . . 0.543 ' CE3' ' HB3' ' B' ' 112' ' ' LEU . 99.1 m95 -130.28 138.37 50.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.32 0.581 . . . . 3.7 111.57 -175.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' ASN . . . . . 0.425 ' HB3' ' OG ' ' B' ' 113' ' ' SER . 27.5 t-20 -107.04 134.22 50.51 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.918 -1.141 . . . . 3.0 107.918 168.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.584 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 9.0 m -114.79 151.28 34.07 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.914 0.388 . . . . 2.16 111.515 -172.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . 0.421 ' O ' HG22 ' B' ' 111' ' ' VAL . 79.6 t80 -153.17 134.6 14.32 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.788 -0.642 . . . . 4.07 109.971 176.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . 0.681 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 76.3 m -88.02 126.25 34.98 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.22 0.533 . . . . 1.67 111.028 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.414 ' O ' HG23 ' B' ' 109' ' ' VAL . 36.5 m -125.93 132.44 52.1 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.707 -0.679 . . . . 2.49 109.95 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.2 t -80.02 132.56 36.02 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.005 0.431 . . . . 3.09 110.273 178.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 6.4 p -86.52 155.44 20.5 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.037 -0.528 . . . . 3.17 110.517 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' HIS . . . . . 0.435 ' HB2' ' HB2' ' B' ' 103' ' ' ARG . 19.1 p80 -123.35 120.63 33.61 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.8 0.333 . . . . 4.39 110.916 -178.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' THR . . . . . 0.689 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 10.3 t -112.37 160.13 18.01 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.381 -0.6 . . . . 1.61 109.381 178.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.445 ' HA ' ' O ' ' B' ' 102' ' ' ILE . 87.2 m-85 -109.06 116.25 31.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.926 0.393 . . . . 2.52 110.431 -176.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 29.8 m -115.25 155.19 16.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.937 -0.574 . . . . 1.59 110.756 -178.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . 0.456 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 46.1 mtpt -82.93 107.79 15.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 4.22 110.333 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.74 140.11 52.27 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.788 -0.642 . . . . 1.57 110.221 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 18.8 tp -73.9 104.5 4.79 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 109.039 -0.726 . . . . 1.87 109.039 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' THR . . . . . 0.493 HG22 ' HA ' ' B' ' 38' ' ' VAL . 65.3 p -129.5 166.24 20.04 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.982 -0.554 . . . . 1.44 109.625 -176.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' THR . . . . . 0.441 ' CG2' ' HB ' ' B' ' 37' ' ' THR . 8.8 t -118.17 116.03 25.99 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.398 0.618 . . . . 1.63 110.137 178.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -94.25 -25.22 17.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.841 -0.618 . . . . 2.46 110.926 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -124.73 -91.03 0.55 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.739 -0.21 . . . . 3.09 110.501 176.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -134.29 3.48 3.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.756 0.312 . . . . 3.76 111.563 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -124.97 159.47 31.17 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.085 -0.339 . . . . 3.02 110.085 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.2 128.25 43.92 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.236 -0.438 . . . . 1.8 110.178 178.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.75 152.57 42.45 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.327 -0.397 . . . . 1.79 110.648 -178.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -75.37 100.46 4.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.125 0.488 . . . . 2.87 110.136 178.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' ARG . . . . . 0.478 ' HB3' ' OD2' ' B' ' 30' ' ' ASP . 33.2 mmt180 -100.26 165.42 11.49 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.587 -0.733 . . . . 3.93 110.137 -179.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -104.2 101.79 11.52 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.662 -0.866 . . . . 2.75 108.662 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' ILE . . . . . 0.445 ' O ' ' HA ' ' B' ' 86' ' ' PHE . 44.9 pt -112.15 144.9 19.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.117 0.484 . . . . 1.33 111.334 -170.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . 0.689 ' HA ' ' O ' ' B' ' 85' ' ' THR . 13.9 ptm180 -79.56 123.79 27.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.143 -0.935 . . . . 4.28 111.227 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' ILE . . . . . 0.446 HD12 ' O ' ' B' ' 54' ' ' PHE . 35.7 pt -125.34 157.97 33.99 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 CA-C-N 115.502 -0.772 . . . . 1.36 110.011 173.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -65.53 118.35 9.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.73 -0.668 . . . . 1.69 110.075 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' THR . . . . . 0.465 ' O ' ' HB ' ' B' ' 56' ' ' THR . 1.7 m -93.32 -56.81 2.81 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.834 -0.621 . . . . 2.65 111.238 -172.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -159.63 155.7 26.63 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.829 -0.623 . . . . 1.64 109.974 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . 0.681 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 35.7 t -96.14 108.89 21.4 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.351 -0.611 . . . . 1.6 109.351 178.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.414 HG23 ' O ' ' B' ' 81' ' ' THR . 21.9 m -99.39 150.15 5.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.984 -0.553 . . . . 1.53 110.77 -174.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . 0.584 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 54.0 t -100.95 115.24 29.98 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.567 -0.531 . . . . 1.45 109.567 177.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.421 HG22 ' O ' ' B' ' 79' ' ' TYR . 15.6 m -89.75 149.31 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 N-CA-C 109.642 -0.503 . . . . 2.0 109.642 177.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . 0.543 ' HB3' ' CE3' ' B' ' 76' ' ' TRP . 94.2 mt -118.88 139.65 51.28 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.984 0.421 . . . . 1.86 110.604 -178.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' SER . . . . . 0.425 ' OG ' ' HB3' ' B' ' 77' ' ' ASN . 29.7 p -131.45 150.27 52.21 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.241 -0.436 . . . . 3.01 110.082 175.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 116.402 -0.363 . . . . 7.45 111.658 -178.24 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 . . . . . 0 N--CA 1.463 0.18 0 CA-C-O 121.156 0.503 . . . . 4.02 111.489 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.5 m -123.75 137.54 54.67 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.715 -0.675 . . . . 2.58 110.159 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.5 m -63.79 -23.33 33.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 121.165 0.507 . . . . 1.8 110.6 176.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.7 t -132.47 133.61 44.05 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.584 -0.895 . . . . 1.75 108.584 173.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -67.26 130.31 42.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.301 0.572 . . . . 2.87 110.996 -175.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.401 ' HB2' HG23 ' A' ' 56' ' ' THR . 32.8 p -123.91 148.15 47.09 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.689 -0.687 . . . . 1.91 110.34 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.47 115.35 49.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.244 0.545 . . . . 1.88 110.21 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.6 p -94.72 113.82 25.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.673 -0.694 . . . . 1.95 110.179 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.5 t -121.61 138.19 52.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.039 -0.528 . . . . 1.55 110.666 -176.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 86.9 m95 -90.82 95.57 10.2 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.42 -0.955 . . . . 1.86 108.42 169.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.1 t -69.57 117.84 12.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.634 -0.712 . . . . 1.41 109.765 -176.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.475 ' HA2' ' CD1' ' A' ' 52' ' ' TYR . . . -73.87 -35.04 55.11 Favored Glycine 0 N--CA 1.44 -1.042 0 CA-C-N 115.561 -0.745 . . . . 1.36 112.659 -175.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -138.23 71.68 1.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.805 0.302 . . . . 3.02 111.397 -175.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.8 tttp -71.83 131.57 43.23 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.031 -0.729 . . . . 1.64 109.031 173.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.5 t -102.54 -33.21 9.57 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.847 0.684 . . . . 2.12 112.847 -171.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.7 p -141.63 144.0 33.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.031 -0.418 . . . . 1.54 111.742 -176.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.47 159.47 38.67 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.837 -0.62 . . . . 1.29 110.512 175.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.7 m -96.03 120.64 36.68 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.406 -0.361 . . . . 1.53 110.649 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -67.81 160.64 27.87 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.914 -0.585 . . . . 1.85 109.788 174.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.5 tt -54.9 -30.84 23.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.765 0.317 . . . . 1.74 111.515 -177.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -80.06 2.56 23.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.528 -0.306 . . . . 2.65 111.539 -177.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.37 28.49 27.39 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.936 -0.649 . . . . 1.25 112.011 178.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -101.92 113.06 25.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.483 0.182 . . . . 2.58 110.686 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -76.55 113.91 14.69 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.308 -0.997 . . . . 2.19 108.308 173.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.0 m -130.44 159.41 42.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-O 121.185 0.517 . . . . 1.48 111.811 -171.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.401 ' HB ' ' CG2' ' A' ' 92' ' ' THR . 26.0 m -81.81 115.46 21.03 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.017 -0.992 . . . . 1.5 110.01 178.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.4 t -85.27 140.36 16.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.645 -0.707 . . . . 1.55 110.367 -177.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.7 mt -105.59 123.53 48.06 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.484 -0.561 . . . . 1.91 109.484 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.33 -20.05 57.63 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.985 -0.552 . . . . 2.35 110.453 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -105.42 115.54 30.43 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.451 -0.944 . . . . 3.59 108.451 178.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.473 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 20.9 m -97.86 129.62 47.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 C-N-CA 120.459 -0.497 . . . . 2.85 110.751 -176.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.428 ' H ' HD21 ' A' ' 90' ' ' LEU . 9.1 p30 -104.12 115.7 30.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.533 0.682 . . . . 3.25 110.319 177.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 70.3 mt -109.11 95.09 3.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.529 -0.76 . . . . 2.98 109.042 174.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.9 m120 67.76 -83.2 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.312 -0.858 . . . . 3.91 110.326 -176.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -136.28 24.89 3.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.051 0.453 . . . . 5.31 110.614 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.5 t -123.12 114.37 20.24 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.512 -0.551 . . . . 3.53 109.512 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.473 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 41.8 t -112.93 122.68 67.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.094 -0.503 . . . . 2.78 110.424 -179.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.44 ' O ' HG21 ' A' ' 42' ' ' VAL . 42.1 p90 -149.89 152.09 34.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.415 -0.357 . . . . 4.85 110.675 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.16 146.99 35.89 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.539 -0.541 . . . . 5.38 109.539 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.05 1.26 2.45 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.939 -0.304 . . . . 5.18 111.435 -178.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.475 ' CD1' ' HA2' ' A' ' 23' ' ' GLY . 7.1 m-85 68.27 176.21 0.26 Allowed 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.856 0.723 . . . . 2.96 111.122 178.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -127.16 125.07 40.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 1.28 110.602 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -84.39 108.53 17.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.772 0.32 . . . . 4.41 110.621 -177.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -123.5 136.73 54.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.161 -0.472 . . . . 1.49 110.407 178.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.401 HG23 ' HB2' ' A' ' 17' ' ' SER . 32.5 m -117.03 110.02 17.71 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.052 -0.522 . . . . 1.56 109.606 178.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -104.03 146.38 28.79 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.234 -0.439 . . . . 2.93 110.63 -173.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.542 ' SG ' HG23 ' A' ' 82' ' ' THR . 73.1 m -72.23 122.33 20.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.299 -0.41 . . . . 1.77 110.332 176.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -79.15 86.04 4.99 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.439 -0.578 . . . . 3.84 109.439 176.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 72.89 139.96 0.06 Allowed 'General case' 0 N--CA 1.465 0.296 0 O-C-N 124.082 0.864 . . . . 2.96 110.195 -171.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 41.4 m -76.21 -4.32 41.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.068 -0.515 . . . . 3.02 112.04 -174.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -149.26 104.9 3.33 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.435 -0.348 . . . . 2.59 110.112 177.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.78 -34.48 61.45 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.278 1.985 . . . . 2.81 111.558 175.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.8 m -121.4 154.65 25.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.863 -0.608 . . . . 2.53 109.574 176.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -79.1 65.05 4.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.313 0.578 . . . . 4.19 110.779 -175.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 76.0 p -177.87 -28.15 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.979 -1.009 . . . . 4.07 109.412 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.451 ' CA ' ' HB2' ' A' ' 78' ' ' SER . . . 162.13 -114.34 0.6 Allowed Glycine 0 N--CA 1.442 -0.966 0 CA-C-N 115.418 -0.81 . . . . 2.7 112.055 179.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 73.8 m -116.66 166.34 12.23 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.108 -0.33 . . . . 1.76 110.108 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 69' ' ' ARG . 33.2 mtm180 -72.67 131.88 42.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.491 -0.322 . . . . 4.4 110.523 -178.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.52 -34.57 4.65 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.773 -0.727 . . . . 1.61 112.494 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.2 mm -63.94 132.57 29.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.907 0.384 . . . . 2.04 111.578 -177.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -67.77 105.93 2.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.711 -0.677 . . . . 3.32 109.432 173.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 76' ' ' TRP . 19.9 m -79.16 1.2 25.3 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.042 -0.526 . . . . 4.99 111.645 -173.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -90.13 -41.23 11.76 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.542 -0.54 . . . . 3.32 109.542 177.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -86.45 -31.28 21.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.471 -0.786 . . . . 4.16 111.245 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.473 ' O ' ' HA ' ' A' ' 73' ' ' SER . 84.6 m95 -137.28 130.77 31.33 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.847 0.314 . . . . 3.71 111.847 -175.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.556 ' HB3' ' O ' ' A' ' 113' ' ' SER . 28.0 t-20 -92.53 135.34 34.14 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 107.368 -1.345 . . . . 3.0 107.368 167.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.788 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 0.9 OUTLIER -111.37 151.14 28.8 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.112 0.482 . . . . 2.16 111.728 -170.473 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -147.25 133.79 19.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.375 -0.829 . . . . 4.07 109.064 177.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.46 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 34.6 m -81.33 123.43 28.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.841 0.353 . . . . 1.67 110.422 -178.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.8 m -128.13 129.13 46.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.168 -0.469 . . . . 2.49 109.926 -177.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.542 HG23 ' SG ' ' A' ' 58' ' ' CYS . 1.2 p -80.41 134.12 35.97 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.016 0.436 . . . . 3.09 111.442 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.9 p -76.79 137.46 39.27 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 121.324 0.583 . . . . 3.17 110.69 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -103.45 119.93 39.85 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.152 -0.931 . . . . 4.4 111.07 -173.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.548 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 13.2 t -125.99 161.9 26.49 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.555 -0.535 . . . . 1.61 109.555 176.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -110.33 119.63 39.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.838 0.352 . . . . 2.52 110.458 -177.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.6 m -113.85 153.51 15.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.061 -0.518 . . . . 1.59 111.303 -178.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.427 ' HG2' ' CE2' ' A' ' 101' ' ' PHE . 89.0 mttt -80.01 105.96 11.68 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.244 -0.889 . . . . 4.22 110.166 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.82 144.37 51.09 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.183 -0.462 . . . . 1.57 110.541 -178.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.428 HD21 ' H ' ' A' ' 43' ' ' ASN . 29.1 tp -80.83 133.06 35.54 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.232 -0.655 . . . . 1.87 109.232 178.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 67.4 p -129.29 160.63 32.39 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.882 -0.414 . . . . 1.44 109.882 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.401 ' CG2' ' HB ' ' A' ' 37' ' ' THR . 4.7 t -99.77 110.22 22.61 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.465 0.65 . . . . 1.63 109.429 175.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -69.15 -33.94 74.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.395 -0.82 . . . . 2.47 109.895 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -175.82 -73.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.257 -0.883 . . . . 3.09 108.768 176.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.417 ' HB2' ' NE2' ' A' ' 96' ' ' GLN . 52.6 mttp -108.82 -24.66 11.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.848 -0.615 . . . . 3.75 109.694 174.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.417 ' NE2' ' HB2' ' A' ' 95' ' ' LYS . 22.2 mp0 -103.03 152.0 21.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.563 -0.744 . . . . 3.02 110.431 -176.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -98.83 125.47 44.22 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.065 -0.516 . . . . 1.8 110.123 176.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -129.08 141.92 51.06 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.31 -0.405 . . . . 1.79 110.664 -177.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -77.65 126.38 30.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.071 -0.513 . . . . 2.88 110.542 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -122.73 172.19 8.61 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.278 -0.419 . . . . 3.92 110.105 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.427 ' CE2' ' HG2' ' A' ' 88' ' ' LYS . 89.8 m-85 -113.36 106.6 14.78 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.348 -0.982 . . . . 2.74 108.348 176.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 39.6 pt -111.94 143.94 20.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.235 0.54 . . . . 1.33 111.351 -170.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.548 ' HA ' ' O ' ' A' ' 85' ' ' THR . 38.0 ptt180 -77.47 123.9 27.18 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.079 -0.964 . . . . 4.27 110.48 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 45.5 pt -123.27 151.91 27.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.989 -0.551 . . . . 1.36 110.319 174.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.424 ' HB3' ' HB ' ' A' ' 82' ' ' THR . 13.4 m-20 -79.14 100.6 7.5 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.362 -0.977 . . . . 1.69 108.362 175.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.478 HG22 ' OG1' ' B' ' 106' ' ' THR . 8.9 t -94.29 -18.67 21.41 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 112.394 0.516 . . . . 2.66 112.394 -169.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -160.96 171.73 18.18 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.855 -0.424 . . . . 1.64 109.855 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.46 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 51.8 t -125.39 119.92 29.64 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.881 0.372 . . . . 1.59 110.203 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.0 m -112.39 175.67 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.003 -0.544 . . . . 1.52 109.693 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.788 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 42.3 t -124.76 117.72 24.81 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 110.012 -0.366 . . . . 1.45 110.012 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 78' ' ' SER . 23.4 m -85.62 148.27 4.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.614 -0.513 . . . . 2.0 109.614 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.1 mt -119.4 136.7 54.17 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.819 -0.352 . . . . 1.86 110.782 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.556 ' O ' ' HB3' ' A' ' 77' ' ' ASN . 27.4 p -178.64 99.06 0.03 OUTLIER 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.01 -0.541 . . . . 3.01 110.839 176.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.405 ' N ' ' H ' ' A' ' 77' ' ' ASN . 26.6 tpt180 . . . . . 0 C--N 1.322 -0.59 0 CA-C-O 121.929 0.871 . . . . 7.46 108.864 167.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 . . . . . 0 CA--C 1.519 -0.229 0 CA-C-O 121.201 0.524 . . . . 4.01 111.651 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 10.6 m -123.65 137.41 54.73 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.706 -0.679 . . . . 2.58 110.144 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.0 m -63.74 -23.2 32.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 121.299 0.571 . . . . 1.81 110.612 176.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 43.5 t -132.62 133.75 44.02 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.54 -0.911 . . . . 1.75 108.54 173.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -67.48 130.69 43.83 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.201 0.524 . . . . 2.87 111.03 -175.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' SER . . . . . 0.413 ' HB2' HG23 ' B' ' 56' ' ' THR . 31.8 p -123.97 148.45 46.93 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.675 -0.693 . . . . 1.91 110.229 -178.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.75 115.23 48.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.228 0.537 . . . . 1.88 110.128 177.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 17.2 p -94.59 114.1 26.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.753 -0.658 . . . . 1.95 110.115 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 60.0 t -122.03 138.18 53.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.113 -0.494 . . . . 1.55 110.61 -176.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -91.09 95.49 10.11 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.364 -0.976 . . . . 1.86 108.364 169.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 51.2 t -69.54 118.11 13.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.607 -0.724 . . . . 1.41 109.651 -176.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.477 ' HA2' ' CD1' ' B' ' 52' ' ' TYR . . . -74.04 -35.05 54.5 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-N 115.499 -0.773 . . . . 1.36 112.621 -176.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -138.4 71.74 1.4 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.862 0.331 . . . . 3.01 111.382 -175.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -71.95 131.69 43.3 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.072 -0.714 . . . . 1.64 109.072 173.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 10.3 t -102.41 -33.15 9.65 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.781 0.66 . . . . 2.11 112.781 -170.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 7.8 p -141.66 144.23 34.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.952 0.406 . . . . 1.53 111.806 -176.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.43 159.46 38.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.921 -0.581 . . . . 1.29 110.459 175.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 8.1 m -95.89 120.56 36.38 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.306 -0.406 . . . . 1.52 110.701 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -68.09 160.66 28.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.856 -0.611 . . . . 1.84 109.872 174.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 13.4 tt -54.7 -31.0 23.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-O 120.806 0.336 . . . . 1.74 111.681 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -79.98 2.74 22.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.44 -0.346 . . . . 2.65 111.421 -177.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.0 28.55 28.22 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.795 -0.717 . . . . 1.25 112.036 178.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -101.85 113.16 26.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.498 0.189 . . . . 2.58 110.745 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -76.46 114.05 14.74 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.291 -1.003 . . . . 2.19 108.291 173.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 13.9 m -130.73 159.46 42.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.144 0.497 . . . . 1.48 111.891 -171.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' THR . . . . . 0.421 ' HB ' ' CG2' ' B' ' 92' ' ' THR . 23.7 m -81.52 115.62 20.91 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.94 -1.027 . . . . 1.5 110.024 178.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 58.6 t -85.33 140.44 15.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.743 -0.662 . . . . 1.55 110.219 -177.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 65.4 mt -105.68 123.32 47.74 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.529 -0.545 . . . . 1.91 109.529 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.83 -20.03 58.46 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.368 0.604 . . . . 2.34 110.653 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -105.42 115.58 30.5 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.419 -0.956 . . . . 3.59 108.419 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.485 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 21.1 m -97.97 129.74 47.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 C-N-CA 120.324 -0.55 . . . . 2.85 110.733 -176.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . 0.434 ' H ' HD21 ' B' ' 90' ' ' LEU . 9.1 p30 -104.22 115.6 30.68 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.478 0.656 . . . . 3.25 110.233 177.134 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 70.6 mt -108.9 95.15 3.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 108.919 -0.771 . . . . 2.98 108.919 174.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 14.8 m120 67.63 -83.07 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.356 -0.838 . . . . 3.91 110.409 -176.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -136.71 25.61 3.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.946 0.403 . . . . 5.31 110.528 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 43.5 t -123.61 114.15 19.63 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.452 -0.574 . . . . 3.54 109.452 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 42.2 t -112.64 123.17 68.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.054 -0.521 . . . . 2.78 110.214 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . 0.431 ' O ' HG21 ' B' ' 42' ' ' VAL . 41.5 p90 -150.19 152.44 34.64 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.294 -0.412 . . . . 4.84 110.523 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.7 146.92 36.67 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.408 -0.59 . . . . 5.38 109.408 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.08 1.6 2.48 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.931 -0.308 . . . . 5.18 111.434 -178.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' TYR . . . . . 0.477 ' CD1' ' HA2' ' B' ' 23' ' ' GLY . 7.0 m-85 68.15 176.44 0.26 Allowed 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.736 0.648 . . . . 2.96 111.177 178.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -127.46 124.95 39.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.229 -0.441 . . . . 1.28 110.562 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -84.23 108.37 17.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.682 0.277 . . . . 4.41 110.595 -177.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -123.48 136.72 54.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.365 -0.379 . . . . 1.49 110.443 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.413 HG23 ' HB2' ' B' ' 17' ' ' SER . 32.0 m -116.93 110.26 18.09 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.091 -0.504 . . . . 1.57 109.723 178.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -104.25 146.26 29.04 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.227 -0.442 . . . . 2.93 110.571 -173.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' CYS . . . . . 0.556 ' SG ' HG23 ' B' ' 82' ' ' THR . 73.0 m -72.37 121.95 20.38 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.191 -0.459 . . . . 1.77 110.329 177.028 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -78.71 85.98 4.7 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.481 -0.563 . . . . 3.85 109.481 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . 72.91 139.94 0.06 Allowed 'General case' 0 N--CA 1.464 0.256 0 O-C-N 124.206 0.941 . . . . 2.96 110.315 -171.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 45.9 m -76.23 -4.46 42.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.127 -0.488 . . . . 3.01 112.098 -174.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -148.85 105.37 3.42 Favored Pre-proline 0 C--O 1.234 0.248 0 CA-C-N 116.378 -0.373 . . . . 2.59 110.084 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -64.01 -34.6 58.32 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.225 1.95 . . . . 2.81 111.491 175.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 28.3 m -121.39 154.75 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.907 -0.588 . . . . 2.53 109.567 176.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -78.93 64.57 3.91 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.357 0.599 . . . . 4.2 110.827 -176.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 73.4 p -177.6 -28.05 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.168 -0.924 . . . . 4.07 109.404 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.46 ' CA ' ' HB2' ' B' ' 78' ' ' SER . . . 161.95 -114.44 0.61 Allowed Glycine 0 N--CA 1.44 -1.073 0 CA-C-N 115.519 -0.764 . . . . 2.7 112.03 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 73.8 m -116.9 166.08 12.58 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.15 -0.315 . . . . 1.76 110.15 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 33.3 mtm180 -72.63 131.96 43.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.618 -0.265 . . . . 4.4 110.421 -178.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.65 -34.02 4.99 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.855 -0.688 . . . . 1.61 112.296 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 49.2 mm -64.55 132.39 30.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.902 0.382 . . . . 2.04 111.653 -177.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -67.53 105.86 1.97 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.671 -0.695 . . . . 3.32 109.372 173.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' SER . . . . . 0.461 ' HA ' ' O ' ' B' ' 76' ' ' TRP . 20.1 m -79.33 1.58 24.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.06 -0.518 . . . . 4.99 111.772 -173.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -90.48 -41.18 11.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.349 0.595 . . . . 3.33 109.49 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 30.9 m-70 -86.35 -31.53 21.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.378 -0.828 . . . . 4.16 111.12 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' TRP . . . . . 0.461 ' O ' ' HA ' ' B' ' 73' ' ' SER . 84.6 m95 -137.1 130.79 31.75 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.87 0.322 . . . . 3.7 111.87 -174.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' ASN . . . . . 0.562 ' HB3' ' O ' ' B' ' 113' ' ' SER . 28.1 t-20 -92.54 135.22 34.26 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.416 -1.327 . . . . 3.0 107.416 167.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.782 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 0.9 OUTLIER -111.39 151.1 28.87 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.167 0.508 . . . . 2.16 111.767 -170.473 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -147.3 133.9 19.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.383 -0.826 . . . . 4.07 109.221 177.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . 0.457 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 34.7 m -81.32 123.26 28.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.833 0.349 . . . . 1.67 110.388 -178.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 26.3 m -127.91 129.36 46.72 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.206 -0.452 . . . . 2.49 110.014 -177.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.556 HG23 ' SG ' ' B' ' 58' ' ' CYS . 1.2 p -80.37 133.91 35.97 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.967 0.413 . . . . 3.09 111.466 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 7.1 p -76.65 137.73 39.61 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 121.215 0.531 . . . . 3.17 110.842 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -103.57 120.3 40.6 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.209 -0.905 . . . . 4.39 110.937 -172.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' THR . . . . . 0.561 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 13.5 t -126.28 161.91 26.69 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.568 -0.531 . . . . 1.61 109.568 176.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -110.42 119.58 39.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.816 0.341 . . . . 2.52 110.484 -177.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 18.7 m -113.75 153.57 15.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.116 -0.493 . . . . 1.59 111.351 -178.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . 0.433 ' HG2' ' CE2' ' B' ' 101' ' ' PHE . 89.1 mttt -80.03 105.81 11.58 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.29 -0.868 . . . . 4.22 110.179 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.77 144.38 51.09 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.141 -0.481 . . . . 1.57 110.523 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . 0.434 HD21 ' H ' ' B' ' 43' ' ' ASN . 29.3 tp -80.95 133.1 35.46 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.164 -0.68 . . . . 1.87 109.164 178.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 66.8 p -129.31 160.44 33.01 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.936 -0.394 . . . . 1.44 109.936 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' THR . . . . . 0.421 ' CG2' ' HB ' ' B' ' 37' ' ' THR . 4.9 t -99.52 110.47 22.93 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.435 0.636 . . . . 1.63 109.393 175.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -69.16 -34.32 74.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.438 -0.801 . . . . 2.46 109.817 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -175.81 -72.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.235 -0.893 . . . . 3.09 109.062 176.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' LYS . . . . . 0.418 ' HB2' ' NE2' ' B' ' 96' ' ' GLN . 52.8 mttp -109.58 -23.33 11.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.856 -0.611 . . . . 3.76 109.848 174.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' GLN . . . . . 0.418 ' NE2' ' HB2' ' B' ' 95' ' ' LYS . 22.2 mp0 -104.07 152.01 22.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.644 -0.707 . . . . 3.02 110.495 -176.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -98.98 125.27 44.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.056 -0.52 . . . . 1.8 110.092 176.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -128.83 142.0 51.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.167 -0.47 . . . . 1.79 110.528 -177.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -77.56 126.72 31.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.217 -0.447 . . . . 2.87 110.496 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -123.13 172.13 8.8 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.04 -0.527 . . . . 3.93 110.256 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.433 ' CE2' ' HG2' ' B' ' 88' ' ' LYS . 89.9 m-85 -113.38 106.48 14.63 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.407 -0.96 . . . . 2.75 108.407 177.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 39.7 pt -111.89 143.95 20.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.221 0.534 . . . . 1.33 111.306 -169.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . 0.561 ' HA ' ' O ' ' B' ' 85' ' ' THR . 37.9 ptt180 -77.48 124.04 27.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.074 -0.966 . . . . 4.28 110.34 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 45.3 pt -123.28 151.9 27.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-N 116.026 -0.534 . . . . 1.36 110.27 174.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . 0.413 ' HB3' ' HB ' ' B' ' 82' ' ' THR . 15.1 m-20 -78.94 100.59 7.32 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.401 -0.962 . . . . 1.69 108.401 175.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' THR . . . . . 0.478 ' OG1' HG22 ' A' ' 106' ' ' THR . 9.0 t -94.17 -18.83 21.33 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 112.349 0.5 . . . . 2.65 112.349 -169.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -160.81 172.05 17.71 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.912 -0.403 . . . . 1.64 109.912 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . 0.457 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 51.1 t -125.44 119.94 29.63 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.872 0.368 . . . . 1.6 110.205 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 20.9 m -112.45 175.83 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.048 -0.524 . . . . 1.53 109.747 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . 0.782 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 42.4 t -124.85 117.72 24.76 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 110.028 -0.36 . . . . 1.45 110.028 -179.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' B' ' 78' ' ' SER . 23.7 m -85.64 148.26 4.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.56 -0.533 . . . . 2.0 109.56 178.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . 0.402 ' HB3' ' HB3' ' B' ' 76' ' ' TRP . 65.0 mt -119.38 136.77 54.13 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.851 -0.34 . . . . 1.86 110.836 -177.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' SER . . . . . 0.562 ' O ' ' HB3' ' B' ' 77' ' ' ASN . 32.5 p -178.76 99.01 0.03 OUTLIER 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 116.109 -0.496 . . . . 3.01 110.804 176.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' ARG . . . . . 0.403 ' N ' ' H ' ' B' ' 77' ' ' ASN . 26.4 tpt180 . . . . . 0 C--N 1.323 -0.581 0 CA-C-O 121.927 0.87 . . . . 7.45 108.746 167.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.761 -0.459 . . . . 4.02 109.761 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.1 p -60.18 132.89 55.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.984 -0.553 . . . . 2.58 110.555 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.5 m -57.03 -25.04 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 115.664 -0.698 . . . . 1.8 111.52 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.41 ' HA ' ' HG3' ' A' ' 63' ' ' PRO . 46.7 t -131.72 137.95 48.45 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.448 -0.575 . . . . 1.75 109.448 175.209 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -70.57 116.05 10.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.194 0.521 . . . . 2.87 110.229 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.0 m -121.15 135.33 55.18 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.964 -0.562 . . . . 1.91 110.785 -176.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 56' ' ' THR . 7.4 p -109.39 117.1 53.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.946 0.403 . . . . 1.88 110.366 178.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.449 ' HB2' ' CE2' ' A' ' 54' ' ' PHE . 29.1 p -100.06 121.57 41.6 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.254 -0.43 . . . . 1.95 110.396 -179.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.6 t -119.86 138.01 51.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.42 -0.355 . . . . 1.55 110.929 -177.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -97.5 95.84 7.92 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.635 -0.876 . . . . 1.86 108.635 171.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 49.0 t -82.84 115.86 26.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.823 -0.626 . . . . 1.41 110.949 -174.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -97.66 14.41 63.11 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.703 -0.761 . . . . 1.36 111.934 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -159.19 76.7 0.71 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.166 0.508 . . . . 3.02 110.472 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.662 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 59.1 tttp -99.84 110.61 22.97 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.593 -0.892 . . . . 1.64 108.593 173.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.425 ' O ' ' HA ' ' A' ' 37' ' ' THR . 14.7 t -82.47 -29.95 30.27 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.185 0.439 . . . . 2.12 112.185 -170.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.9 p -140.96 145.32 35.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.22 0.533 . . . . 1.54 112.015 -176.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.34 162.49 38.06 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.704 -0.68 . . . . 1.29 110.012 175.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.4 m -95.07 118.75 32.4 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 116.171 -0.468 . . . . 1.53 110.565 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -65.99 157.9 29.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.02 -0.991 . . . . 1.85 108.958 175.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.3 tt -62.38 -20.19 24.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.254 0.55 . . . . 1.74 110.467 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -75.25 -8.72 57.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.649 -0.705 . . . . 2.65 110.495 176.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.83 17.74 55.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.165 -0.54 . . . . 1.25 111.799 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -103.24 159.16 15.8 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.616 0.246 . . . . 2.58 110.746 -177.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -99.2 116.7 32.01 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.887 -0.412 . . . . 2.19 109.887 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.3 m -117.97 154.59 19.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.23 -0.441 . . . . 1.48 111.186 -177.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 26' ' ' THR . 36.0 m -89.01 115.86 26.88 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.658 -0.701 . . . . 1.5 110.28 -179.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.662 ' HB ' ' O ' ' A' ' 25' ' ' LYS . 39.7 t -86.07 140.09 16.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.214 -0.448 . . . . 1.55 110.65 -174.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 46.8 mt -109.28 121.76 45.88 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.851 -0.426 . . . . 1.91 109.851 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.58 -32.38 60.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.321 0.581 . . . . 2.35 109.874 177.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -106.25 115.35 30.06 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.042 -0.981 . . . . 3.59 108.603 175.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.493 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 16.9 m -96.97 126.64 49.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.299 0.571 . . . . 2.85 110.844 -175.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -103.71 99.67 9.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.645 -0.707 . . . . 3.25 109.482 178.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 53.5 mt -95.81 -78.47 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.968 -0.293 . . . . 2.98 111.185 -176.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -123.91 65.59 1.04 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.555 -0.535 . . . . 3.91 109.555 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 61.23 24.11 14.25 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.367 -0.833 . . . . 5.31 110.36 -175.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.3 m -124.57 114.98 20.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.257 -0.883 . . . . 3.53 108.643 178.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 26.3 t -98.5 113.03 32.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 120.919 0.39 . . . . 2.78 110.788 -176.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.419 ' O ' HG21 ' A' ' 42' ' ' VAL . 95.0 m-85 -113.62 151.93 31.05 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.86 -0.609 . . . . 4.85 109.406 177.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -124.89 153.53 42.49 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.074 0.464 . . . . 5.38 111.031 -177.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.488 ' HB3' ' HD3' ' B' ' 88' ' ' LYS . 8.6 pt20 -142.37 133.83 26.5 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.51 -0.768 . . . . 5.18 110.457 177.064 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -91.86 123.77 35.48 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.16 -0.682 . . . . 2.96 109.16 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -80.75 113.67 19.11 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.075 0.464 . . . . 1.28 110.289 -175.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.449 ' CE2' ' HB2' ' A' ' 19' ' ' SER . 90.7 t80 -83.35 98.55 9.52 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.405 -0.816 . . . . 4.41 109.893 -176.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.562 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 29.8 mt-10 -111.16 117.36 33.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.783 -0.644 . . . . 1.49 110.072 -178.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.508 ' HB ' ' HA ' ' A' ' 107' ' ' ALA . 34.6 m -104.34 118.11 35.83 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.133 -0.485 . . . . 1.56 109.995 176.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -112.02 156.01 22.86 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.019 -0.537 . . . . 2.93 110.856 -175.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 62.8 m -80.55 122.75 27.43 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.721 -0.672 . . . . 1.77 110.159 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -82.01 82.78 7.49 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.982 -0.747 . . . . 3.84 108.982 175.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 76.31 131.35 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 O-C-N 124.383 1.052 . . . . 2.96 110.033 -172.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.4 p -65.42 -19.68 66.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.74 -0.664 . . . . 3.02 111.839 -175.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -137.67 88.8 15.99 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.022 -0.536 . . . . 2.59 109.698 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.41 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 9.2 Cg_endo -54.3 -38.91 88.78 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.835 2.357 . . . . 2.81 112.442 -178.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.2 m -118.62 157.12 20.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.887 -0.412 . . . . 2.53 109.887 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -79.43 71.52 6.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.27 0.557 . . . . 4.19 110.288 -177.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.7 t 175.69 -25.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.689 -1.141 . . . . 4.07 108.772 -178.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.85 -109.42 0.46 Allowed Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.381 -0.827 . . . . 2.7 111.412 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 72.8 m -110.71 167.53 10.16 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.661 0.267 . . . . 1.76 110.517 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -68.39 127.09 31.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.185 -0.462 . . . . 4.4 109.976 -178.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.59 -22.73 39.45 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.925 -0.655 . . . . 1.61 112.163 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 40.6 mm -81.05 117.47 27.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-O 120.999 0.428 . . . . 2.04 110.663 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -146.62 96.53 2.77 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.873 -0.603 . . . . 3.32 109.955 176.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.492 ' HB3' ' HB2' ' A' ' 76' ' ' TRP . 45.8 t -155.42 145.41 21.57 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.003 -0.544 . . . . 4.99 110.103 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -74.58 -11.15 60.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.499 -0.773 . . . . 3.32 110.952 -177.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.402 ' O ' ' HD2' ' A' ' 114' ' ' ARG . 53.0 m80 -123.59 19.63 9.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.138 -0.483 . . . . 4.16 111.679 -179.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.492 ' HB2' ' HB3' ' A' ' 73' ' ' SER . 46.7 m95 -136.98 117.17 13.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.086 0.469 . . . . 3.71 110.978 175.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -113.95 133.57 55.39 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.291 -1.004 . . . . 3.0 108.291 171.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.449 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 1.3 m -101.98 144.91 30.0 Favored 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 120.694 -0.403 . . . . 2.16 111.128 -174.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -139.21 135.44 33.96 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.539 -0.541 . . . . 4.07 109.539 170.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.689 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 65.5 m -88.66 129.58 35.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.73 -0.668 . . . . 1.67 110.363 -178.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.447 ' O ' HG22 ' A' ' 109' ' ' VAL . 60.5 m -135.22 132.8 38.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.179 -0.464 . . . . 2.49 110.131 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.3 p -80.71 132.68 35.58 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.131 0.491 . . . . 3.09 111.194 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.1 m -76.79 126.65 31.35 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.726 -0.67 . . . . 3.17 109.852 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.496 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 75.5 m80 -106.66 121.74 44.95 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.298 -0.41 . . . . 4.4 110.255 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.625 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 6.5 t -112.42 160.44 17.73 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.428 -0.582 . . . . 1.61 109.428 177.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.44 ' CE2' ' HB3' ' A' ' 103' ' ' ARG . 78.9 m-85 -108.31 115.55 30.32 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.911 0.386 . . . . 2.52 110.36 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.7 m -116.41 134.65 59.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.917 -0.583 . . . . 1.59 110.375 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.563 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 5.2 ptmm? -80.61 94.98 6.41 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.509 0.671 . . . . 4.22 110.958 178.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -111.26 155.06 23.56 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.081 -0.963 . . . . 1.57 109.468 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.5 tp -72.78 104.62 4.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.184 0.516 . . . . 1.87 109.94 -177.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.465 HG22 ' HA ' ' A' ' 38' ' ' VAL . 43.8 p -122.34 156.84 33.08 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.033 -0.728 . . . . 1.44 109.033 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.4 t -111.29 119.81 40.14 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.436 0.636 . . . . 1.63 110.399 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -69.94 -29.44 66.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.103 -0.953 . . . . 2.47 110.512 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -170.7 -72.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.992 -0.549 . . . . 3.09 109.881 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -112.99 -26.94 8.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.82 0.343 . . . . 3.75 110.97 177.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -92.25 138.93 31.11 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.394 -0.366 . . . . 3.02 110.688 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.22 127.44 47.8 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.323 -0.621 . . . . 1.8 109.323 172.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -146.23 151.3 37.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.723 0.297 . . . . 1.79 110.672 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -76.4 91.84 3.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.079 -0.51 . . . . 2.88 110.243 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.563 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 36.6 mmt180 -95.26 147.32 23.6 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.871 -0.604 . . . . 3.92 110.075 -176.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -81.71 105.23 12.68 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.087 -0.506 . . . . 2.74 109.761 177.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 36.3 pt -113.41 146.87 17.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.317 -0.401 . . . . 1.33 110.836 -176.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.625 ' HA ' ' O ' ' A' ' 85' ' ' THR . 38.2 ptt180 -84.25 124.92 31.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.666 -0.697 . . . . 4.27 111.151 -177.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.496 ' O ' ' HA ' ' A' ' 84' ' ' HIS . 40.4 pt -123.71 152.43 28.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.909 -0.587 . . . . 1.36 110.78 176.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.562 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 4.4 m-20 -83.1 110.58 18.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.716 -0.675 . . . . 1.69 109.743 178.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.499 ' HB ' ' HB ' ' B' ' 106' ' ' THR . 24.5 p -90.49 -44.06 9.84 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.144 0.424 . . . . 2.66 112.144 -175.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.508 ' HA ' ' HB ' ' A' ' 56' ' ' THR . . . -155.74 155.54 33.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.433 -0.348 . . . . 1.64 110.652 -177.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.689 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 42.4 t -100.31 113.69 26.59 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.363 -0.606 . . . . 1.59 109.363 176.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 81' ' ' THR . 18.2 m -102.79 146.37 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.972 0.415 . . . . 1.52 110.627 -176.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.449 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 41.7 t -96.43 115.89 28.16 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.867 -0.606 . . . . 1.45 109.453 176.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 9.6 m -115.43 145.54 21.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 116.312 -0.403 . . . . 2.0 110.024 178.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.423 ' CD2' ' HG ' ' A' ' 78' ' ' SER . 61.6 mt -101.25 156.45 17.43 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.281 0.562 . . . . 1.86 110.916 -174.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.5 p -127.97 139.51 52.53 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.136 -0.938 . . . . 3.01 108.786 173.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.402 ' HD2' ' O ' ' A' ' 75' ' ' HIS . 28.3 tpt180 . . . . . 0 C--N 1.326 -0.44 0 CA-C-O 120.946 0.403 . . . . 7.46 110.762 -173.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.676 -0.49 . . . . 4.01 109.676 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 10.9 p -60.05 132.88 55.3 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.032 -0.531 . . . . 2.58 110.508 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.1 m -57.18 -25.02 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 CA-C-N 115.661 -0.7 . . . . 1.81 111.524 -178.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.402 ' HA ' ' HG3' ' B' ' 63' ' ' PRO . 45.3 t -131.65 137.89 48.52 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.391 -0.596 . . . . 1.75 109.391 175.038 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -70.02 116.01 9.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.117 0.484 . . . . 2.87 110.182 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 19.4 m -120.94 135.93 55.08 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.042 -0.527 . . . . 1.91 110.733 -176.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' B' ' 56' ' ' THR . 7.6 p -109.97 117.07 53.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.131 0.491 . . . . 1.88 110.343 178.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.433 ' HB2' ' CE2' ' B' ' 54' ' ' PHE . 25.5 p -100.3 121.11 40.97 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.155 -0.475 . . . . 1.95 110.51 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 44.7 t -119.78 138.06 51.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.765 0.317 . . . . 1.55 110.874 -177.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -97.54 95.93 7.96 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.594 -0.891 . . . . 1.86 108.594 171.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 48.8 t -82.76 116.02 26.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.907 -0.588 . . . . 1.41 110.939 -174.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -97.83 14.67 62.68 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.695 -0.764 . . . . 1.36 112.015 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -159.51 76.43 0.67 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.245 0.545 . . . . 3.01 110.52 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.646 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 59.0 tttp -99.36 111.45 23.81 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.581 -0.896 . . . . 1.64 108.581 173.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' THR . . . . . 0.438 ' O ' ' HA ' ' B' ' 37' ' ' THR . 14.5 t -83.2 -29.8 28.26 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.263 0.468 . . . . 2.11 112.263 -170.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 11.4 p -140.99 145.54 36.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.056 0.455 . . . . 1.53 111.829 -176.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.61 162.63 38.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.699 -0.682 . . . . 1.29 109.966 174.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 16.9 m -95.12 118.82 32.58 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.222 -0.444 . . . . 1.52 110.498 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . 0.418 ' OD2' ' HB3' ' B' ' 100' ' ' ARG . 10.5 t70 -65.98 157.56 30.52 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.094 -0.957 . . . . 1.84 108.963 175.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 17.5 tt -61.95 -20.41 23.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.13 0.49 . . . . 1.74 110.432 178.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -75.02 -8.83 57.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.848 -0.615 . . . . 2.65 110.488 176.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.82 17.95 55.42 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.105 -0.569 . . . . 1.25 111.848 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -103.41 159.19 15.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.697 0.284 . . . . 2.58 110.69 -176.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -99.33 116.7 32.11 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.857 -0.423 . . . . 2.19 109.857 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 31.6 m -117.86 154.58 19.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 120.943 0.401 . . . . 1.48 111.268 -177.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' B' ' 26' ' ' THR . 29.7 m -88.65 115.98 26.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.646 -0.707 . . . . 1.5 110.293 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.646 ' HB ' ' O ' ' B' ' 25' ' ' LYS . 39.6 t -86.25 140.15 16.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.29 -0.414 . . . . 1.55 110.667 -174.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 47.1 mt -109.36 121.5 45.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.192 -0.458 . . . . 1.91 109.917 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.42 -32.03 60.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.214 0.531 . . . . 2.34 109.936 177.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -106.67 115.31 29.99 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.395 -0.965 . . . . 3.59 108.395 176.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.485 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 17.1 m -96.9 126.5 49.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.282 0.563 . . . . 2.85 110.901 -175.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -103.3 99.48 9.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.742 -0.663 . . . . 3.25 109.656 178.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 54.2 mt -95.65 -78.34 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.756 -0.378 . . . . 2.98 110.982 -176.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -124.08 65.78 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.366 -0.605 . . . . 3.91 109.366 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 60.87 24.27 14.26 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.528 -0.76 . . . . 5.31 110.416 -175.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 13.2 m -124.86 114.93 19.86 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.117 -0.947 . . . . 3.54 108.588 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 26.3 t -98.62 113.28 32.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.062 0.458 . . . . 2.78 110.635 -177.018 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . 0.404 ' O ' HG21 ' B' ' 42' ' ' VAL . 94.9 m-85 -113.63 151.99 30.99 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.619 -0.719 . . . . 4.84 109.36 177.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -124.92 153.46 42.64 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.99 0.424 . . . . 5.38 111.191 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . 0.48 ' HB3' ' HD3' ' A' ' 88' ' ' LYS . 8.6 pt20 -142.33 133.95 26.74 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.666 -0.697 . . . . 5.18 110.457 177.007 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -91.97 123.77 35.58 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 109.147 -0.686 . . . . 2.96 109.147 178.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -80.72 113.54 18.99 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.147 0.499 . . . . 1.28 110.368 -175.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . 0.433 ' CE2' ' HB2' ' B' ' 19' ' ' SER . 90.6 t80 -83.26 98.56 9.47 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.408 -0.815 . . . . 4.41 109.895 -176.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . 0.561 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 30.3 mt-10 -111.18 117.17 32.48 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.769 -0.651 . . . . 1.49 110.175 -178.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.476 ' HB ' ' HA ' ' B' ' 107' ' ' ALA . 35.7 m -104.45 118.09 35.76 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.255 -0.43 . . . . 1.57 109.981 177.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -111.93 156.23 22.41 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.117 -0.492 . . . . 2.93 110.853 -175.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 63.3 m -80.89 122.14 26.85 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.576 -0.738 . . . . 1.77 110.278 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -81.49 82.68 7.2 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.081 -0.711 . . . . 3.85 109.081 175.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . 76.45 131.54 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 O-C-N 124.522 1.139 . . . . 2.96 110.086 -172.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 29.9 p -65.65 -19.62 65.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.852 -0.613 . . . . 3.01 111.802 -175.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -137.69 88.84 15.93 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.032 -0.531 . . . . 2.59 109.763 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' PRO . . . . . 0.402 ' HG3' ' HA ' ' B' ' 15' ' ' CYS . 9.3 Cg_endo -54.51 -38.34 90.11 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.813 2.342 . . . . 2.81 112.532 -178.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 35.3 m -119.07 157.1 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.717 -0.475 . . . . 2.53 109.717 177.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -79.24 72.36 5.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.166 0.507 . . . . 4.2 110.27 -177.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 22.8 t 174.7 -25.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.856 -1.065 . . . . 4.07 108.698 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.79 -109.49 0.47 Allowed Glycine 0 N--CA 1.445 -0.764 0 CA-C-N 115.387 -0.824 . . . . 2.7 111.455 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 72.5 m -110.55 167.63 10.07 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.681 0.277 . . . . 1.76 110.392 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' B' ' 69' ' ' ARG . 45.4 mtt180 -68.34 127.25 32.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 4.4 110.083 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.11 -22.44 40.88 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.844 -0.693 . . . . 1.61 112.216 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 40.9 mm -81.42 117.21 27.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.359 . . . . 2.04 110.608 -179.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -146.63 96.92 2.84 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.818 -0.628 . . . . 3.32 109.876 176.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' SER . . . . . 0.475 ' HB3' ' HB2' ' B' ' 76' ' ' TRP . 46.2 t -155.76 145.39 21.12 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.093 -0.503 . . . . 4.99 109.87 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -74.08 -12.22 60.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.473 -0.785 . . . . 3.33 110.826 -176.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 52.8 m80 -122.88 19.71 10.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.356 -0.384 . . . . 4.16 111.604 -179.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' TRP . . . . . 0.475 ' HB2' ' HB3' ' B' ' 73' ' ' SER . 47.2 m95 -136.75 117.09 13.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.899 0.38 . . . . 3.7 111.088 175.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -113.81 133.82 55.16 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.258 -1.015 . . . . 3.0 108.258 171.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.437 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 1.3 m -102.26 145.09 29.94 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.478 -0.489 . . . . 2.16 111.036 -174.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -139.29 135.2 33.59 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.662 -0.496 . . . . 4.07 109.662 170.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . 0.682 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 64.1 m -88.21 129.69 35.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.694 -0.685 . . . . 1.67 110.527 -178.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.432 ' O ' HG22 ' B' ' 109' ' ' VAL . 56.1 m -135.32 132.92 38.27 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.294 -0.412 . . . . 2.49 110.334 -179.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 20.9 p -80.86 132.5 35.46 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.153 0.501 . . . . 3.09 111.41 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 22.6 m -76.67 126.64 31.33 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.785 -0.643 . . . . 3.17 109.739 177.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' HIS . . . . . 0.479 ' HA ' ' O ' ' B' ' 104' ' ' ILE . 76.0 m80 -106.76 122.05 45.59 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.288 -0.414 . . . . 4.39 110.144 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' THR . . . . . 0.633 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 6.5 t -112.65 160.56 17.77 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.431 -0.581 . . . . 1.61 109.431 177.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.43 ' CE2' ' HB3' ' B' ' 103' ' ' ARG . 78.5 m-85 -108.5 115.59 30.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.0 0.428 . . . . 2.52 110.317 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 23.6 m -116.47 134.5 59.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.865 -0.607 . . . . 1.59 110.418 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . 0.574 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 5.2 ptmm? -80.43 95.23 6.37 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.523 0.677 . . . . 4.22 110.833 178.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -111.54 155.09 23.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.075 -0.966 . . . . 1.57 109.432 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 18.5 tp -72.6 104.52 3.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.064 0.459 . . . . 1.87 109.862 -177.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' THR . . . . . 0.478 HG22 ' HA ' ' B' ' 38' ' ' VAL . 43.7 p -122.45 157.02 32.84 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.079 -0.711 . . . . 1.44 109.079 178.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 10.2 t -111.58 119.32 38.31 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.623 0.725 . . . . 1.63 110.6 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -69.63 -29.42 66.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.299 -0.864 . . . . 2.46 110.381 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -170.95 -71.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.975 -0.557 . . . . 3.09 110.011 178.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -113.62 -26.11 8.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.819 0.343 . . . . 3.76 110.923 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -93.12 138.98 31.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.385 -0.37 . . . . 3.02 110.492 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.27 127.62 47.79 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.179 -0.674 . . . . 1.8 109.179 172.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -146.37 151.36 37.34 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.769 0.318 . . . . 1.79 110.639 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 75.0 m95 -76.47 92.36 3.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.119 -0.491 . . . . 2.87 110.045 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' ARG . . . . . 0.574 ' O ' ' HA ' ' B' ' 88' ' ' LYS . 36.6 mmt180 -95.63 147.18 23.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.709 -0.678 . . . . 3.93 110.027 -177.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -81.71 105.48 12.88 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.631 -0.507 . . . . 2.75 109.631 177.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 36.2 pt -113.5 146.94 17.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.217 -0.447 . . . . 1.33 110.908 -176.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . 0.633 ' HA ' ' O ' ' B' ' 85' ' ' THR . 38.3 ptt180 -84.28 124.65 31.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.694 -0.685 . . . . 4.28 111.319 -177.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' ILE . . . . . 0.479 ' O ' ' HA ' ' B' ' 84' ' ' HIS . 40.5 pt -123.64 152.34 28.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.036 -0.529 . . . . 1.36 110.783 176.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . 0.561 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 4.3 m-20 -82.99 110.67 18.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.587 -0.733 . . . . 1.69 109.851 178.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' THR . . . . . 0.499 ' HB ' ' HB ' ' A' ' 106' ' ' THR . 24.4 p -90.42 -43.98 9.93 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.074 0.398 . . . . 2.65 112.074 -175.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . 0.476 ' HA ' ' HB ' ' B' ' 56' ' ' THR . . . -155.89 155.5 32.99 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.553 -0.294 . . . . 1.64 110.686 -177.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . 0.682 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 42.1 t -100.38 113.36 26.05 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.406 -0.59 . . . . 1.6 109.406 176.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.432 HG22 ' O ' ' B' ' 81' ' ' THR . 18.2 m -102.58 146.31 10.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.979 0.418 . . . . 1.53 110.631 -176.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . 0.437 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 41.7 t -96.32 115.97 28.28 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.845 -0.616 . . . . 1.45 109.478 176.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 9.9 m -115.52 145.57 21.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.363 -0.38 . . . . 2.0 110.145 178.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . 0.41 ' CD2' ' HG ' ' B' ' 78' ' ' SER . 61.4 mt -101.18 156.28 17.52 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.975 -0.557 . . . . 1.86 110.871 -174.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 15.4 p -127.82 139.74 52.46 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.157 -0.928 . . . . 3.01 108.768 173.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 116.309 -0.405 . . . . 7.45 110.656 -173.961 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 . . . . . 0 CA--C 1.52 -0.176 0 CA-C-O 120.767 0.318 . . . . 4.02 110.365 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.1 t -151.97 161.61 42.37 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.131 -0.486 . . . . 2.58 109.876 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 m -75.57 -17.35 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.954 -0.566 . . . . 1.8 110.711 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 97.7 m -123.15 124.64 43.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.785 -0.643 . . . . 1.75 109.876 176.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.97 115.49 2.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 2.87 110.566 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.5 m -124.96 130.21 51.9 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.129 -0.487 . . . . 1.91 110.415 -177.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' A' ' 56' ' ' THR . 7.1 p -112.47 115.54 50.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.133 0.492 . . . . 1.88 110.716 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 47.9 m -89.87 117.43 28.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.303 -0.408 . . . . 1.95 110.067 177.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.2 t -118.97 138.41 49.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.141 -0.482 . . . . 1.55 110.066 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -102.69 95.79 6.45 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.241 -0.652 . . . . 1.86 109.241 175.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.0 t -93.69 108.68 20.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.5 -0.773 . . . . 1.41 110.487 -175.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.39 11.25 58.24 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.404 -0.903 . . . . 1.36 112.032 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -132.71 29.58 4.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.709 0.29 . . . . 3.02 110.838 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.627 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 85.6 tttt -75.92 108.5 8.84 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.122 -0.695 . . . . 1.64 109.122 177.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.1 t -95.05 -7.79 38.58 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.037 0.384 . . . . 2.12 112.037 -173.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.4 p -141.54 134.17 28.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.723 0.297 . . . . 1.54 110.966 177.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.49 161.26 40.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.184 -0.462 . . . . 1.29 110.507 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.0 m -96.34 116.98 29.91 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.175 0.512 . . . . 1.53 110.788 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.407 ' CG ' HH21 ' A' ' 100' ' ' ARG . 20.8 t70 -65.72 164.89 13.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.079 -0.964 . . . . 1.85 110.758 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.459 ' HA ' ' CE2' ' A' ' 86' ' ' PHE . 16.0 tt -61.05 -28.89 44.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.671 0.272 . . . . 1.74 111.199 -179.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -78.22 -11.45 59.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.454 -0.339 . . . . 2.65 110.87 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.57 14.92 36.19 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.753 -0.736 . . . . 1.25 112.565 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -94.3 141.61 28.37 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.433 -0.21 . . . . 2.58 110.433 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -85.74 115.19 23.25 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.909 -0.775 . . . . 2.19 108.909 173.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 m -115.54 153.62 17.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.057 -0.52 . . . . 1.48 111.002 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.7 m -88.69 108.63 19.57 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.384 -0.825 . . . . 1.5 110.515 -177.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.627 ' HB ' ' O ' ' A' ' 25' ' ' LYS . 15.6 t -79.4 136.87 22.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.089 -0.708 . . . . 1.55 109.089 178.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.0 mt -82.35 2.82 30.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.723 -0.217 . . . . 1.91 111.42 -176.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.48 ' H ' HG12 ' A' ' 38' ' ' VAL . . . 69.64 -45.97 0.58 Allowed 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.926 0.89 . . . . 2.35 111.677 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -127.09 149.82 49.76 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.386 -0.598 . . . . 3.59 109.386 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.7 m -96.85 124.68 49.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.545 -0.539 . . . . 2.85 109.545 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -78.43 149.2 33.32 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.519 -0.549 . . . . 3.25 109.519 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.441 ' HB ' ' HB ' ' A' ' 48' ' ' VAL . 14.6 tt -71.45 77.05 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-O 122.061 0.934 . . . . 2.98 112.66 -171.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -90.1 -3.67 57.78 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.71 -1.219 . . . . 3.91 107.71 163.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -163.98 -46.93 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 113.862 -1.517 . . . . 5.31 108.371 176.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.6 p -147.18 159.25 43.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.534 -0.757 . . . . 3.53 109.566 177.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.441 ' HB ' ' HB ' ' A' ' 44' ' ' ILE . 4.1 p -123.81 112.62 33.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.473 0.654 . . . . 2.78 110.776 177.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -145.8 140.31 27.02 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.472 -0.786 . . . . 4.85 110.094 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -78.26 127.89 32.91 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.35 -0.611 . . . . 5.38 109.35 173.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.85 90.02 6.89 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.26 -0.427 . . . . 5.18 110.46 -175.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -75.38 122.28 23.53 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.233 -0.655 . . . . 2.96 109.233 173.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -96.74 118.84 34.06 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.039 -0.528 . . . . 1.28 110.173 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -83.9 93.74 8.09 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.543 0.687 . . . . 4.41 109.422 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.445 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 16.6 mt-10 -108.67 107.92 18.57 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.653 -0.703 . . . . 1.49 110.137 -176.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.533 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 42.3 m -96.02 104.66 16.62 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.599 -0.728 . . . . 1.56 109.568 176.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -102.75 151.75 22.03 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.561 -0.745 . . . . 2.93 110.331 -174.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.6 t -89.82 125.27 35.26 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.065 -0.516 . . . . 1.77 110.581 -176.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -96.99 16.02 20.71 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.037 -0.529 . . . . 3.84 110.372 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -146.76 172.41 13.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.787 -0.642 . . . . 2.96 110.331 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.1 m -140.45 -48.51 0.44 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.457 -0.571 . . . . 3.02 109.457 176.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -137.04 89.75 16.44 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 108.826 -0.805 . . . . 2.59 108.826 173.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -50.03 -31.26 27.16 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 123.456 2.771 . . . . 2.81 113.567 -177.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 36.0 m -124.49 -177.95 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.981 -0.287 . . . . 2.53 110.542 174.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -46.87 -45.02 20.06 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 113.023 0.749 . . . . 4.19 113.023 -175.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.459 ' HB3' ' OG ' ' A' ' 73' ' ' SER . 21.2 t -146.44 54.7 1.13 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.144 0.497 . . . . 4.07 110.401 -178.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.87 -156.02 26.84 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.405 -0.902 . . . . 2.7 112.617 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 71.7 m -100.55 160.92 13.96 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.316 -0.253 . . . . 1.76 110.316 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 33.8 mtm-85 -67.66 126.48 29.51 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.835 0.35 . . . . 4.4 110.8 -177.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.77 -29.76 11.82 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.992 -0.623 . . . . 1.61 111.903 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.2 mm -73.43 137.47 23.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 122.63 0.372 . . . . 2.04 111.228 -176.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -70.91 96.38 1.27 Allowed 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.115 -0.493 . . . . 3.32 110.596 175.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.564 ' HA ' ' O ' ' A' ' 76' ' ' TRP . 11.1 t -63.87 -16.29 61.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.211 0.529 . . . . 4.99 110.635 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -66.05 -28.79 69.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 3.32 111.391 176.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -119.83 -27.76 5.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.727 0.299 . . . . 4.16 110.969 -176.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.564 ' O ' ' HA ' ' A' ' 73' ' ' SER . 97.3 m95 -124.73 133.7 53.09 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.083 0.468 . . . . 3.71 111.327 -175.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -103.44 134.48 46.74 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.643 -1.243 . . . . 3.0 107.643 167.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.685 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 1.3 m -128.11 147.95 50.56 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.72 0.295 . . . . 2.16 111.207 -171.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.46 ' O ' HG21 ' A' ' 111' ' ' VAL . 75.1 t80 -143.45 135.33 26.62 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.912 -0.586 . . . . 4.07 109.685 176.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.793 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 64.4 m -81.72 111.84 18.34 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.997 -0.547 . . . . 1.67 110.494 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.0 m -116.98 128.41 55.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.856 -0.611 . . . . 2.49 110.418 -176.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.1 m -87.42 119.61 27.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.952 0.406 . . . . 3.09 110.895 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.3 m -77.47 143.54 38.43 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.59 -0.522 . . . . 3.17 109.59 174.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -118.87 137.43 53.44 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.777 -0.453 . . . . 4.4 109.777 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.658 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 13.3 t -118.79 172.13 7.74 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.827 -0.435 . . . . 1.61 109.827 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.522 ' CE2' ' HB3' ' A' ' 103' ' ' ARG . 97.5 m-85 -119.42 124.94 47.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.791 0.329 . . . . 2.52 111.009 -174.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.3 m -120.35 145.36 26.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.998 -0.546 . . . . 1.59 110.658 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -83.43 113.66 20.91 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.523 0.678 . . . . 4.22 110.697 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.7 157.0 42.58 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.6 -0.727 . . . . 1.57 110.517 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.8 tp -83.13 106.91 15.32 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.436 -0.579 . . . . 1.87 109.436 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.6 p -118.16 147.67 43.11 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.737 -0.665 . . . . 1.44 110.535 -176.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' A' ' 96' ' ' GLN . 9.0 t -105.0 118.56 36.84 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.68 0.752 . . . . 1.63 111.01 -178.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -86.66 88.53 7.68 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.455 -0.943 . . . . 2.47 108.455 174.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 69.23 -70.01 0.15 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.08 -0.963 . . . . 3.09 110.913 -173.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -137.08 2.29 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.668 0.247 . . . . 3.75 111.668 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.44 ' O ' ' HA ' ' A' ' 92' ' ' THR . 57.9 tp60 -102.64 108.56 19.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.621 0.248 . . . . 3.02 110.959 -177.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.24 108.63 15.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.46 -0.337 . . . . 1.8 110.391 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -135.7 151.26 50.0 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.23 -0.441 . . . . 1.79 110.871 -177.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 81.9 m95 -77.44 118.45 19.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.986 -0.552 . . . . 2.88 110.199 178.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.407 HH21 ' CG ' ' A' ' 30' ' ' ASP . 17.1 mtp180 -129.27 162.84 26.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.203 -0.453 . . . . 3.92 110.365 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -97.79 111.81 23.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.061 -0.518 . . . . 2.74 109.857 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 23.2 pt -113.57 149.04 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.156 -0.475 . . . . 1.33 110.617 -176.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.658 ' HA ' ' O ' ' A' ' 85' ' ' THR . 19.5 ptp180 -89.13 137.69 32.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.312 0.577 . . . . 4.27 111.381 -174.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 30.2 pt -131.5 151.59 35.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.328 -0.851 . . . . 1.36 110.236 176.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.445 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 1.6 m-20 -64.82 121.3 14.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.771 -0.65 . . . . 1.69 109.509 177.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.514 ' O ' ' HB ' ' A' ' 56' ' ' THR . 2.3 m -97.65 -53.0 3.57 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.338 -0.392 . . . . 2.66 111.689 -172.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -166.78 157.86 12.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.386 -0.37 . . . . 1.64 110.186 -178.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.793 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 51.7 t -105.5 117.8 34.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.861 0.363 . . . . 1.59 110.036 177.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 26.3 m -105.02 150.25 7.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.111 -0.495 . . . . 1.52 110.533 -177.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.685 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 43.3 t -97.56 101.73 13.33 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.298 -0.63 . . . . 1.45 109.298 177.077 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.586 ' O ' ' HA ' ' A' ' 78' ' ' SER . 25.8 m -76.39 134.75 28.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.33 -0.395 . . . . 2.0 110.097 -178.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 97.3 mt -107.92 138.27 44.47 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.993 0.425 . . . . 1.86 110.476 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.2 p -134.4 146.96 50.36 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.684 -0.689 . . . . 3.01 109.172 174.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 . . . . . 0 C--N 1.325 -0.481 0 CA-C-O 120.954 0.407 . . . . 7.46 110.676 -175.939 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 120.714 0.293 . . . . 4.01 110.261 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 28.9 t -151.98 161.71 42.22 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.757 -0.46 . . . . 2.58 109.757 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 m -75.82 -17.06 15.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.897 -0.592 . . . . 1.81 110.683 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 97.1 m -123.22 124.48 43.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.814 -0.63 . . . . 1.75 109.9 176.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.06 115.27 2.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 2.87 110.511 -178.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 21.1 m -124.58 130.72 52.98 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.959 -0.564 . . . . 1.91 110.406 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.527 ' O ' ' HA ' ' B' ' 56' ' ' THR . 7.1 p -112.78 115.52 50.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.101 0.477 . . . . 1.88 110.55 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 50.3 m -89.66 117.37 28.48 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.206 -0.452 . . . . 1.95 110.151 177.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 56.8 t -118.88 138.28 50.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.205 -0.452 . . . . 1.55 110.086 -179.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 83.7 m95 -102.6 95.71 6.41 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.386 -0.598 . . . . 1.86 109.386 175.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 21.9 t -93.76 108.69 20.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.441 -0.799 . . . . 1.41 110.468 -175.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.53 11.52 58.07 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.489 -0.862 . . . . 1.36 112.107 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -133.16 29.54 4.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.705 0.288 . . . . 3.01 110.865 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.629 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 85.7 tttt -75.78 108.46 8.66 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.089 -0.708 . . . . 1.64 109.089 177.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 11.3 t -95.15 -7.87 37.99 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.021 0.378 . . . . 2.11 112.021 -173.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.3 p -141.37 134.42 29.16 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.696 0.284 . . . . 1.53 110.931 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.77 160.91 41.66 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.286 -0.416 . . . . 1.29 110.577 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 16.9 m -95.94 117.07 29.9 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.122 0.487 . . . . 1.52 110.842 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . 0.421 ' CG ' HH21 ' B' ' 100' ' ' ARG . 21.6 t70 -65.97 164.76 14.51 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.025 -0.989 . . . . 1.84 110.711 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.457 ' HA ' ' CE2' ' B' ' 86' ' ' PHE . 16.2 tt -60.71 -28.98 44.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.842 0.353 . . . . 1.74 111.158 -179.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -78.28 -11.21 59.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.936 0.398 . . . . 2.65 111.064 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.89 13.79 38.94 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.798 -0.715 . . . . 1.25 112.604 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -93.7 141.5 28.42 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.357 -0.238 . . . . 2.58 110.357 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -85.42 115.53 23.21 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.87 -0.789 . . . . 2.19 108.87 173.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 29.8 m -116.03 153.78 17.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-O 121.047 0.451 . . . . 1.48 111.085 -176.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 22.8 m -88.61 108.42 19.43 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.425 -0.807 . . . . 1.5 110.48 -177.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.629 ' HB ' ' O ' ' B' ' 25' ' ' LYS . 15.4 t -79.34 136.91 22.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.156 -0.683 . . . . 1.55 109.156 178.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 97.1 mt -82.29 2.55 31.51 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.623 -0.262 . . . . 1.91 111.282 -176.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.488 ' H ' HG12 ' B' ' 38' ' ' VAL . . . 69.81 -46.17 0.59 Allowed 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.89 0.876 . . . . 2.34 111.65 -178.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -127.02 149.87 49.7 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.355 -0.609 . . . . 3.59 109.355 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 16.9 m -96.95 124.8 49.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.557 -0.535 . . . . 2.85 109.557 177.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -78.44 149.31 33.29 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.51 -0.552 . . . . 3.25 109.51 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.459 ' HB ' ' HB ' ' B' ' 48' ' ' VAL . 14.4 tt -71.66 76.73 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-O 122.143 0.973 . . . . 2.98 112.836 -172.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -90.02 -3.5 57.94 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.712 -1.218 . . . . 3.91 107.712 164.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -164.14 -46.92 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 113.931 -1.486 . . . . 5.31 108.375 176.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 18.2 p -147.28 159.08 44.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.527 -0.76 . . . . 3.54 109.645 177.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . 0.459 ' HB ' ' HB ' ' B' ' 44' ' ' ILE . 4.3 p -123.74 112.64 33.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.472 0.653 . . . . 2.78 110.878 177.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -145.83 140.95 27.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.47 -0.787 . . . . 4.84 110.085 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' B' ' 50' ' ' ARG . 13.0 ttm180 -79.18 127.81 32.5 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.188 -0.671 . . . . 5.38 109.188 173.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.69 89.99 6.8 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.333 -0.394 . . . . 5.18 110.429 -175.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -75.31 122.12 23.23 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.248 -0.649 . . . . 2.96 109.248 173.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -96.6 118.89 34.04 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.128 -0.487 . . . . 1.28 110.154 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -83.95 93.75 8.11 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.515 0.674 . . . . 4.41 109.608 176.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . 0.446 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 16.8 mt-10 -108.58 107.82 18.47 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.709 -0.678 . . . . 1.49 110.157 -176.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.527 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 43.9 m -96.04 104.79 16.75 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.602 -0.726 . . . . 1.57 109.462 176.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -102.88 151.91 21.9 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.695 -0.684 . . . . 2.93 110.223 -174.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 4.6 t -90.06 125.66 35.5 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.112 0.482 . . . . 1.77 110.473 -176.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -97.23 15.98 21.19 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.812 -0.631 . . . . 3.85 110.3 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -146.93 172.46 13.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.828 -0.623 . . . . 2.96 110.268 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 42.8 m -140.78 -48.32 0.42 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.515 -0.55 . . . . 3.01 109.515 176.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -137.36 89.8 15.75 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 108.73 -0.841 . . . . 2.59 108.73 173.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -50.11 -31.16 27.38 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.543 2.829 . . . . 2.81 113.613 -177.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 35.8 m -124.54 -177.99 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.985 -0.286 . . . . 2.53 110.529 174.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -46.72 -45.39 19.54 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.887 0.699 . . . . 4.2 112.887 -175.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' SER . . . . . 0.454 ' HB3' ' OG ' ' B' ' 73' ' ' SER . 22.2 t -146.09 54.8 1.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.321 0.581 . . . . 4.07 110.376 -178.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.86 -156.03 26.84 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.329 -0.939 . . . . 2.7 112.595 177.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 71.4 m -100.44 161.05 13.86 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.281 -0.266 . . . . 1.76 110.281 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 33.9 mtm-85 -67.95 126.33 29.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.83 0.348 . . . . 4.4 110.841 -177.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.81 -29.64 12.07 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.937 -0.649 . . . . 1.61 112.05 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 49.3 mm -73.47 137.78 22.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 122.454 0.302 . . . . 2.04 111.206 -177.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -71.2 96.45 1.39 Allowed 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.085 -0.507 . . . . 3.32 110.661 175.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' SER . . . . . 0.577 ' HA ' ' O ' ' B' ' 76' ' ' TRP . 11.0 t -63.9 -16.27 61.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.295 0.569 . . . . 4.99 110.588 178.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -65.84 -29.22 69.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.079 -0.51 . . . . 3.33 111.487 176.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -119.6 -27.51 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.785 0.326 . . . . 4.16 111.067 -176.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' TRP . . . . . 0.577 ' O ' ' HA ' ' B' ' 73' ' ' SER . 97.5 m95 -124.79 133.77 53.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.116 0.484 . . . . 3.7 111.333 -176.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -103.37 134.45 46.73 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.735 -1.209 . . . . 3.0 107.735 167.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.674 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 1.3 m -128.12 148.13 50.57 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.769 0.319 . . . . 2.16 111.328 -171.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . 0.448 ' O ' HG21 ' B' ' 111' ' ' VAL . 74.9 t80 -143.53 135.36 26.51 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.793 -0.639 . . . . 4.07 109.717 176.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . 0.78 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 64.7 m -81.91 111.48 18.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.094 -0.503 . . . . 1.67 110.496 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 24.8 m -116.84 128.12 54.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.825 -0.625 . . . . 2.49 110.3 -176.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 23.0 m -86.6 120.17 27.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.865 0.364 . . . . 3.09 111.12 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 13.6 m -77.91 143.44 37.71 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.569 -0.53 . . . . 3.17 109.569 174.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -118.85 137.34 53.49 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.83 -0.433 . . . . 4.39 109.83 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' THR . . . . . 0.647 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 13.4 t -118.53 172.28 7.59 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.753 -0.462 . . . . 1.61 109.753 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.523 ' CE2' ' HB3' ' B' ' 103' ' ' ARG . 97.4 m-85 -119.51 124.91 47.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.827 0.346 . . . . 2.52 110.977 -174.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 m -120.26 145.54 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.926 -0.579 . . . . 1.59 110.756 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -83.59 113.61 20.95 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 121.593 0.711 . . . . 4.22 110.736 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.74 157.04 42.51 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.589 -0.732 . . . . 1.57 110.553 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 31.7 tp -83.06 106.92 15.26 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.416 -0.587 . . . . 1.87 109.416 177.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 52.8 p -118.26 147.51 43.36 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.738 -0.665 . . . . 1.44 110.447 -176.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' B' ' 96' ' ' GLN . 9.3 t -104.74 118.71 37.23 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.505 0.669 . . . . 1.63 110.979 -178.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -86.88 88.91 7.8 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.453 -0.943 . . . . 2.46 108.453 173.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 68.95 -69.68 0.15 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.084 -0.962 . . . . 3.09 111.052 -173.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -137.59 2.5 2.45 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.7 0.259 . . . . 3.76 111.7 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' GLN . . . . . 0.45 ' O ' ' HA ' ' B' ' 92' ' ' THR . 57.8 tp60 -103.04 108.38 19.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.565 0.222 . . . . 3.02 110.873 -177.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.22 108.83 15.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.34 -0.391 . . . . 1.8 110.202 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -135.76 151.19 49.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.203 -0.453 . . . . 1.79 110.88 -177.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 80.9 m95 -77.27 118.92 20.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.93 -0.577 . . . . 2.87 110.186 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' ARG . . . . . 0.421 HH21 ' CG ' ' B' ' 30' ' ' ASP . 17.1 mtp180 -129.72 162.4 28.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.227 -0.442 . . . . 3.93 110.503 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -97.31 111.96 23.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.099 -0.501 . . . . 2.75 109.931 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 23.5 pt -113.71 149.13 16.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.236 -0.438 . . . . 1.33 110.513 -176.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . 0.647 ' HA ' ' O ' ' B' ' 85' ' ' THR . 19.4 ptp180 -89.11 137.73 32.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.277 0.56 . . . . 4.28 111.457 -174.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 30.4 pt -131.62 151.47 35.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.349 -0.841 . . . . 1.36 110.299 175.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . 0.446 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 1.6 m-20 -64.61 121.03 13.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.805 -0.634 . . . . 1.69 109.577 177.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' THR . . . . . 0.522 ' O ' ' HB ' ' B' ' 56' ' ' THR . 2.4 m -97.53 -53.05 3.56 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.403 -0.362 . . . . 2.65 111.658 -172.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -166.51 157.99 13.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 1.64 110.269 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . 0.78 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 51.5 t -105.56 117.74 34.78 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.951 0.405 . . . . 1.6 110.018 177.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 26.3 m -104.93 150.31 7.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.074 -0.512 . . . . 1.53 110.625 -177.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . 0.674 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 43.5 t -97.66 101.7 13.28 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.243 -0.651 . . . . 1.45 109.243 177.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.581 ' O ' ' HA ' ' B' ' 78' ' ' SER . 25.2 m -76.28 135.19 27.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.31 -0.404 . . . . 2.0 110.091 -178.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 96.9 mt -108.3 138.21 44.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.875 0.369 . . . . 1.86 110.399 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 24.4 p -134.33 146.82 50.32 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.213 -0.662 . . . . 3.01 109.213 174.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 . . . . . 0 C--N 1.325 -0.488 0 CA-C-O 120.909 0.385 . . . . 7.45 110.755 -175.943 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.224 -0.658 . . . . 4.02 109.224 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.3 p -75.01 133.69 41.61 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.109 -0.951 . . . . 2.58 110.419 -178.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.422 ' O ' ' HG2' ' A' ' 63' ' ' PRO . 28.3 m -59.82 -24.19 28.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.037 -0.529 . . . . 1.8 110.879 177.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.568 ' SG ' ' HB2' ' A' ' 110' ' ' CYS . 62.7 m -129.06 118.98 23.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.435 -0.802 . . . . 1.75 109.178 175.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -54.99 118.22 4.11 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 123.438 0.461 . . . . 2.87 110.76 -178.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.6 m -126.72 149.6 49.5 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.082 -0.508 . . . . 1.91 110.516 -177.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.545 ' O ' ' HA ' ' A' ' 56' ' ' THR . 7.1 p -122.3 132.0 72.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.411 -0.359 . . . . 1.88 111.06 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.8 m -91.48 124.03 35.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.788 0.328 . . . . 1.95 110.265 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.0 t -125.54 138.25 55.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.354 -0.384 . . . . 1.55 110.913 -175.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 93.9 m95 -103.11 96.51 6.84 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.037 -0.727 . . . . 1.86 109.037 172.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.6 t -84.71 109.03 17.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.861 -0.608 . . . . 1.41 110.566 -176.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.35 19.14 55.1 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.681 -0.771 . . . . 1.36 111.971 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -174.1 84.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.652 -0.499 . . . . 3.02 109.652 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -89.89 -17.15 28.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.517 -0.311 . . . . 1.64 111.441 -175.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.7 p 63.42 -54.24 0.2 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.053 1.341 . . . . 2.12 113.669 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.3 p -134.4 143.31 47.53 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.81 0.338 . . . . 1.54 111.099 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.17 156.29 40.65 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.208 -0.451 . . . . 1.29 110.717 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 56.4 m -99.92 120.52 39.92 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.082 -0.508 . . . . 1.53 111.237 -176.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.417 ' OD1' ' HG3' ' A' ' 32' ' ' LYS . 21.5 t70 -71.71 164.02 26.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.212 -0.904 . . . . 1.85 110.264 178.09 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.4 tt -57.64 -22.84 18.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 122.944 0.498 . . . . 1.74 111.834 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.417 ' HG3' ' OD1' ' A' ' 30' ' ' ASP . 35.8 mttp -82.46 -2.75 54.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.956 0.408 . . . . 2.65 110.912 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.56 17.79 57.93 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.963 -0.637 . . . . 1.25 111.746 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -93.77 131.26 39.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.699 0.285 . . . . 2.58 110.935 -178.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -86.61 114.71 23.55 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.846 -0.798 . . . . 2.19 108.846 176.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.4 m -122.9 156.98 28.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.118 0.485 . . . . 1.48 111.711 -174.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.5 m -83.45 117.96 23.42 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.307 -0.861 . . . . 1.5 110.41 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.4 t -87.37 130.74 36.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.941 -0.572 . . . . 1.55 110.64 -177.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.4 mt -88.38 113.6 24.15 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.523 -0.547 . . . . 1.91 109.523 177.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.15 -31.19 72.25 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.462 0.649 . . . . 2.35 109.684 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.494 ' HA ' ' HA ' ' A' ' 50' ' ' ARG . 39.0 mt-10 -115.74 115.29 26.07 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 114.922 -1.035 . . . . 3.59 108.756 174.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.504 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 25.6 m -93.06 139.1 18.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.244 0.545 . . . . 2.85 111.253 -173.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -101.08 99.64 10.11 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.368 -0.833 . . . . 3.25 109.721 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 52.5 mt -106.8 86.69 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.973 0.416 . . . . 2.98 110.256 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 61.27 63.71 1.18 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.572 -0.74 . . . . 3.91 110.449 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.7 m120 64.03 20.61 12.27 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.283 -0.871 . . . . 5.31 111.6 176.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.9 t -129.4 118.4 22.12 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.358 -0.608 . . . . 3.53 109.358 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 39.5 t -101.37 130.59 50.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.051 0.453 . . . . 2.78 111.527 -174.575 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.401 ' O ' HG22 ' A' ' 42' ' ' VAL . 79.6 m-85 -137.07 133.55 35.55 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.75 -0.659 . . . . 4.85 109.287 174.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.494 ' HA ' ' HA ' ' A' ' 41' ' ' GLU . 27.8 ptt180 -82.51 145.06 29.99 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.32 -0.552 . . . . 5.38 109.878 179.318 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.437 ' OE1' ' HE3' ' B' ' 88' ' ' LYS . 86.8 mm-40 -120.12 154.46 34.68 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.001 -0.545 . . . . 5.18 111.536 -172.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -122.82 151.35 41.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.579 -0.737 . . . . 2.96 109.378 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -122.71 123.23 40.63 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.995 -0.372 . . . . 1.28 109.995 176.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -85.1 103.16 13.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.982 0.42 . . . . 4.41 110.388 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -100.91 162.78 12.66 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.411 0.624 . . . . 1.49 110.123 175.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.568 ' HB ' ' C ' ' A' ' 106' ' ' THR . 50.7 m -140.89 100.44 3.83 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 107.687 -1.227 . . . . 1.56 107.687 169.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -101.71 147.36 26.55 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.1 -0.954 . . . . 2.93 109.74 -165.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.86 116.05 21.34 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.317 0.579 . . . . 1.77 110.54 -173.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -75.93 -34.52 59.89 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.411 -0.813 . . . . 3.84 110.296 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -135.62 113.61 11.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.798 -0.637 . . . . 2.96 110.853 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.9 t -69.88 -24.65 63.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.079 -0.51 . . . . 3.02 110.032 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -147.79 87.92 5.74 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.64 -0.709 . . . . 2.59 109.58 174.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.422 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 52.9 Cg_exo -53.46 -38.41 83.09 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.069 2.513 . . . . 2.81 112.876 -177.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.8 m -118.09 154.92 20.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.734 -0.469 . . . . 2.53 109.734 178.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 66' ' ' SER . 36.4 tt0 -81.2 70.92 8.15 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.992 0.425 . . . . 4.19 111.072 -173.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.429 ' HB2' ' O ' ' A' ' 65' ' ' GLU . 4.9 t 175.75 -39.29 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.362 -0.835 . . . . 4.07 109.043 178.19 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -169.72 -118.4 0.45 Allowed Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.447 -0.797 . . . . 2.7 111.161 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 14' ' ' VAL . 24.7 p -126.48 -178.6 4.41 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.408 -0.59 . . . . 1.76 109.408 174.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -72.19 132.37 44.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.74 0.305 . . . . 4.4 111.055 -175.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.38 -42.76 2.19 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.891 -0.671 . . . . 1.61 113.693 173.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.3 mm -59.9 132.97 25.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 112.209 0.448 . . . . 2.04 112.209 -175.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -71.44 99.76 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.864 -0.607 . . . . 3.32 109.416 172.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.688 ' HA ' ' O ' ' A' ' 76' ' ' TRP . 5.2 t -77.76 -4.29 45.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.911 -0.586 . . . . 4.99 111.037 -174.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -66.3 -40.74 90.2 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.421 0.629 . . . . 3.32 109.534 174.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -96.82 -38.36 9.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.657 -0.702 . . . . 4.16 110.951 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.688 ' O ' ' HA ' ' A' ' 73' ' ' SER . 87.9 m95 -118.52 134.19 55.28 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.189 0.519 . . . . 3.71 112.032 -171.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -95.38 134.74 37.84 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.803 -1.184 . . . . 3.0 107.803 169.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.673 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 3.7 m -125.64 147.8 49.2 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.362 -0.535 . . . . 2.16 112.179 -170.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -151.21 147.82 27.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.338 -0.846 . . . . 4.07 108.95 170.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.619 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 35.4 m -94.45 130.71 40.71 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.155 -0.475 . . . . 1.67 111.082 -174.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.0 m -126.97 135.3 50.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.902 -0.59 . . . . 2.49 109.716 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.423 ' HB ' ' HB3' ' A' ' 105' ' ' ASP . 21.1 p -79.54 134.21 36.48 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 121.21 0.529 . . . . 3.09 111.809 -177.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.6 m -92.14 124.53 36.29 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.547 -0.751 . . . . 3.17 109.136 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.419 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 2.3 p-80 -119.67 136.26 54.48 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.08 0.467 . . . . 4.4 111.47 -176.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.565 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 14.6 t -111.85 164.27 13.27 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.43 -0.804 . . . . 1.61 109.402 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -103.27 116.78 33.11 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.917 0.389 . . . . 2.52 109.973 -177.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.9 m -109.83 152.74 11.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.999 -0.546 . . . . 1.59 111.046 -176.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.426 ' HE3' ' OE1' ' B' ' 51' ' ' GLN . 42.8 mttp -86.26 109.56 19.02 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.452 -0.794 . . . . 4.22 110.197 -177.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.5 139.1 52.5 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.114 -0.494 . . . . 1.57 110.945 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 35.6 tp -75.35 114.74 14.23 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.233 -0.654 . . . . 1.87 109.233 176.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 77.5 p -122.37 166.7 14.29 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.048 -0.523 . . . . 1.44 110.56 -175.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.1 t -123.27 110.54 15.34 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.444 0.64 . . . . 1.63 110.049 176.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -77.41 -45.77 24.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.775 -0.648 . . . . 2.47 110.234 -178.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -125.32 -76.05 0.59 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.252 -0.431 . . . . 3.09 110.784 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -123.07 -48.6 1.99 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.865 0.364 . . . . 3.75 111.107 -177.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -78.34 177.03 8.77 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.118 -0.492 . . . . 3.02 110.869 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -122.07 132.41 54.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.095 -0.502 . . . . 1.8 110.848 -177.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -141.78 146.74 36.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.917 -0.583 . . . . 1.79 110.37 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 17.2 m-90 -74.73 119.34 18.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.147 -0.479 . . . . 2.88 111.276 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -110.17 169.5 8.69 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.628 -0.715 . . . . 3.92 109.789 176.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.415 ' O ' ' HA ' ' A' ' 30' ' ' ASP . 27.3 m-85 -111.32 101.95 10.38 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.316 -0.994 . . . . 2.74 108.316 179.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 37.8 pt -111.5 142.91 22.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.079 0.466 . . . . 1.33 111.062 -168.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.565 ' HA ' ' O ' ' A' ' 85' ' ' THR . 35.9 ptt180 -83.82 125.45 31.96 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.79 -0.641 . . . . 4.27 111.395 -174.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 84' ' ' HIS . 42.8 pt -121.88 134.25 65.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.723 -0.672 . . . . 1.36 109.668 173.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.423 ' HB3' ' HB ' ' A' ' 82' ' ' THR . 17.6 m-20 -80.09 113.44 18.26 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.371 -0.603 . . . . 1.69 109.371 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.568 ' C ' ' HB ' ' A' ' 56' ' ' THR . 7.4 t -123.08 22.72 9.46 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.096 0.474 . . . . 2.66 111.048 -171.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.42 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -174.76 156.24 2.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.006 -0.543 . . . . 1.64 109.982 176.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.619 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 48.5 t -130.71 113.47 14.19 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.227 -0.657 . . . . 1.59 109.227 172.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.0 m -106.46 145.91 13.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.959 -0.564 . . . . 1.52 110.866 -174.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.673 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 42.7 t -92.74 116.28 28.88 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.328 -0.619 . . . . 1.45 109.328 177.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.2 m -98.14 152.41 4.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 110.0 -0.371 . . . . 2.0 110.0 -179.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 62.7 mt -112.35 139.79 47.61 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.238 0.542 . . . . 1.86 111.716 -174.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 38.0 t -121.44 140.23 52.43 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.869 -0.789 . . . . 3.01 108.869 172.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 . . . . . 0 C--N 1.324 -0.535 0 CA-C-O 120.944 0.402 . . . . 7.46 110.898 -176.206 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.306 -0.627 . . . . 4.01 109.306 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 12.3 p -74.83 133.71 41.85 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.068 -0.969 . . . . 2.58 110.445 -178.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.413 ' O ' ' HB2' ' B' ' 68' ' ' CYS . 28.0 m -59.76 -24.32 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 115.837 -0.62 . . . . 1.81 110.936 177.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.566 ' SG ' ' HB2' ' B' ' 110' ' ' CYS . 62.6 m -128.87 119.0 23.65 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.323 -0.853 . . . . 1.75 109.236 175.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -55.05 117.85 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.833 0.349 . . . . 2.87 110.734 -178.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 31.7 m -126.45 149.72 49.13 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.206 -0.452 . . . . 1.91 110.518 -177.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.531 ' O ' ' HA ' ' B' ' 56' ' ' THR . 7.1 p -122.27 131.65 72.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.815 0.341 . . . . 1.88 111.057 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 28.6 m -91.1 124.01 35.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.843 0.354 . . . . 1.95 110.223 178.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 42.7 t -125.57 138.62 53.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.277 -0.419 . . . . 1.55 110.851 -175.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -103.56 96.29 6.63 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.032 -0.729 . . . . 1.86 109.032 172.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 47.1 t -84.5 108.96 17.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.776 -0.647 . . . . 1.41 110.642 -176.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.24 19.07 55.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.688 -0.768 . . . . 1.36 112.062 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -174.13 84.8 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.557 -0.534 . . . . 3.01 109.557 -179.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -89.78 -17.24 28.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.441 -0.345 . . . . 1.64 111.307 -176.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 68.2 p 63.54 -54.36 0.21 Allowed 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.968 1.307 . . . . 2.11 113.631 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.3 p -134.0 143.92 48.42 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.004 0.431 . . . . 1.53 111.158 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.81 156.59 40.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.073 -0.512 . . . . 1.29 110.719 177.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 46.0 m -100.17 120.53 40.02 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.026 -0.534 . . . . 1.52 111.205 -176.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . 0.422 ' OD1' ' HG3' ' B' ' 32' ' ' LYS . 20.8 t70 -71.64 164.2 26.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.169 -0.923 . . . . 1.84 110.228 178.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 14.3 tt -57.7 -23.4 20.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 C-N-CA 122.96 0.504 . . . . 1.74 111.768 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.422 ' HG3' ' OD1' ' B' ' 30' ' ' ASP . 36.1 mttp -81.52 -3.85 54.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.941 0.4 . . . . 2.65 110.958 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.47 17.45 57.02 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 121.091 -0.575 . . . . 1.25 111.841 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -93.49 131.79 38.38 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.627 0.251 . . . . 2.58 110.851 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -87.34 114.62 24.12 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.788 -0.819 . . . . 2.19 108.788 176.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 27.5 m -122.7 157.18 27.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.106 0.479 . . . . 1.48 111.682 -174.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 20.1 m -83.97 117.85 23.64 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.344 -0.843 . . . . 1.5 110.22 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 94.2 t -87.19 130.62 36.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.912 -0.585 . . . . 1.55 110.513 -177.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 84.2 mt -88.34 113.61 24.12 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.532 -0.544 . . . . 1.91 109.532 177.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.17 -31.16 72.2 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.441 0.639 . . . . 2.34 109.718 178.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.48 ' HA ' ' HA ' ' B' ' 50' ' ' ARG . 36.7 mt-10 -115.67 115.22 26.01 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.946 -1.025 . . . . 3.59 108.934 174.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.493 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 26.0 m -92.94 139.07 18.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.179 0.514 . . . . 2.85 111.201 -173.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -100.98 99.65 10.15 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.413 -0.812 . . . . 3.25 109.753 178.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 52.3 mt -106.91 87.64 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.35 -0.386 . . . . 2.98 110.05 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 60.32 63.91 1.31 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.517 -0.765 . . . . 3.91 110.443 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 13.5 m120 64.0 20.6 12.27 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.214 -0.903 . . . . 5.31 111.565 175.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 23.7 t -129.22 118.29 22.12 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.337 -0.616 . . . . 3.54 109.337 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 39.1 t -100.95 131.04 49.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.273 -0.422 . . . . 2.78 111.497 -174.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -137.36 134.04 35.54 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.326 -0.62 . . . . 4.84 109.326 174.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.48 ' HA ' ' HA ' ' B' ' 41' ' ' GLU . 27.6 ptt180 -82.7 145.07 29.8 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.276 -0.57 . . . . 5.38 109.86 179.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . 0.426 ' OE1' ' HE3' ' A' ' 88' ' ' LYS . 86.5 mm-40 -120.2 154.95 34.11 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.934 -0.576 . . . . 5.18 111.453 -172.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -123.14 151.36 42.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.551 -0.749 . . . . 2.96 109.314 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -122.87 123.21 40.46 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 110.077 -0.342 . . . . 1.28 110.077 176.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -85.06 103.05 13.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.966 0.413 . . . . 4.41 110.379 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -100.73 162.65 12.77 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.436 0.636 . . . . 1.49 110.093 175.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.568 ' HB ' ' C ' ' B' ' 106' ' ' THR . 50.8 m -140.93 100.23 3.78 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 107.707 -1.22 . . . . 1.57 107.707 169.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -101.38 147.28 26.52 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.935 -1.029 . . . . 2.93 109.822 -165.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.78 115.94 21.24 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.111 0.481 . . . . 1.77 110.577 -173.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -75.92 -34.79 59.93 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.498 -0.774 . . . . 3.85 110.176 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -135.33 113.45 11.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.869 -0.605 . . . . 2.96 110.899 -178.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 22.8 t -69.98 -24.37 63.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 3.01 110.066 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -147.96 88.26 5.59 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.426 -0.806 . . . . 2.59 109.367 174.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' PRO . . . . . 0.411 ' HG2' ' O ' ' B' ' 14' ' ' VAL . 51.1 Cg_exo -53.57 -38.57 83.89 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.043 2.495 . . . . 2.81 113.05 -178.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 31.3 m -118.09 154.51 20.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.837 -0.431 . . . . 2.53 109.837 178.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' B' ' 66' ' ' SER . 35.9 tt0 -80.85 71.07 7.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.908 0.385 . . . . 4.2 111.172 -173.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' SER . . . . . 0.437 ' HB2' ' O ' ' B' ' 65' ' ' GLU . 4.8 t 175.64 -39.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.453 -0.794 . . . . 4.07 109.094 178.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -170.18 -118.53 0.46 Allowed Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.994 -0.842 . . . . 2.7 110.994 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.413 ' HB2' ' O ' ' B' ' 14' ' ' VAL . 24.7 p -126.27 -178.4 4.31 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.401 -0.592 . . . . 1.76 109.401 174.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -72.36 132.17 43.61 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 121.08 -0.248 . . . . 4.4 111.094 -175.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.98 -43.09 2.07 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 121.019 -0.61 . . . . 1.61 113.427 172.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 47.3 mm -59.89 132.71 25.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.029 0.442 . . . . 2.04 112.187 -175.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -71.14 99.39 1.86 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.688 -0.687 . . . . 3.32 109.475 172.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' SER . . . . . 0.681 ' HA ' ' O ' ' B' ' 76' ' ' TRP . 5.3 t -77.36 -4.39 44.92 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.049 -0.523 . . . . 4.99 110.954 -174.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -66.28 -41.03 90.43 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.383 -0.599 . . . . 3.33 109.383 174.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -96.62 -38.41 9.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.749 -0.659 . . . . 4.16 110.926 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' TRP . . . . . 0.681 ' O ' ' HA ' ' B' ' 73' ' ' SER . 87.5 m95 -118.26 134.23 55.21 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.126 0.489 . . . . 3.7 112.023 -171.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -95.2 134.78 37.56 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 107.827 -1.175 . . . . 3.0 107.827 169.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.677 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 3.7 m -125.81 147.48 49.41 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.32 -0.552 . . . . 2.16 112.121 -170.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -150.96 147.94 27.78 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.304 -0.862 . . . . 4.07 108.838 170.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . 0.628 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 35.2 m -94.49 130.62 40.8 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.019 -0.537 . . . . 1.67 111.041 -174.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 59.3 m -126.81 134.97 50.44 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.757 -0.656 . . . . 2.49 109.792 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.428 ' HA ' ' HA ' ' B' ' 108' ' ' CYS . 21.4 p -79.31 134.05 36.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.156 0.503 . . . . 3.09 111.823 -177.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 5.8 m -92.06 124.33 36.08 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.547 -0.751 . . . . 3.17 109.187 176.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' HIS . . . . . 0.428 ' HA ' ' O ' ' B' ' 104' ' ' ILE . 2.2 p-80 -119.67 136.03 54.57 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.915 0.388 . . . . 4.39 111.217 -176.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' THR . . . . . 0.567 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 14.7 t -111.76 164.28 13.22 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.508 -0.769 . . . . 1.61 109.297 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -103.31 116.61 32.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.098 0.475 . . . . 2.52 110.171 -177.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 27.1 m -109.87 152.77 11.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.835 -0.62 . . . . 1.59 110.855 -176.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . 0.437 ' HE3' ' OE1' ' A' ' 51' ' ' GLN . 42.8 mttp -86.47 109.42 19.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.398 -0.819 . . . . 4.22 110.173 -177.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.36 139.01 52.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.072 -0.513 . . . . 1.57 111.029 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 35.1 tp -75.31 114.65 14.08 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.285 -0.635 . . . . 1.87 109.285 176.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 79.3 p -122.23 166.98 13.76 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.901 -0.591 . . . . 1.44 110.612 -175.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 6.8 t -123.68 110.99 15.66 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.46 0.648 . . . . 1.63 109.954 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -78.0 -45.15 24.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.666 -0.697 . . . . 2.46 110.325 -178.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -125.74 -75.79 0.59 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.26 -0.427 . . . . 3.09 110.946 177.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -123.23 -49.32 1.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.953 0.406 . . . . 3.76 111.138 -178.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -77.66 176.67 8.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.169 -0.468 . . . . 3.02 110.94 -178.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -121.78 133.1 54.91 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.288 -0.414 . . . . 1.8 110.899 -177.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.24 146.63 35.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.888 -0.596 . . . . 1.79 110.259 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 17.2 m-90 -74.64 119.63 19.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.109 0.48 . . . . 2.87 111.267 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -110.34 169.54 8.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.57 -0.741 . . . . 3.93 109.894 176.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.407 ' O ' ' HA ' ' B' ' 30' ' ' ASP . 27.7 m-85 -111.34 101.89 10.32 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.354 -0.98 . . . . 2.75 108.354 179.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 36.7 pt -111.55 142.93 22.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.07 0.462 . . . . 1.33 111.103 -168.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . 0.567 ' HA ' ' O ' ' B' ' 85' ' ' THR . 35.8 ptt180 -83.66 125.52 31.93 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.802 -0.635 . . . . 4.28 111.353 -174.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' ILE . . . . . 0.428 ' O ' ' HA ' ' B' ' 84' ' ' HIS . 42.9 pt -121.91 134.22 65.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.813 -0.63 . . . . 1.36 109.857 172.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . 0.413 ' HB3' ' HB ' ' B' ' 82' ' ' THR . 16.1 m-20 -80.16 113.47 18.35 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.298 -0.631 . . . . 1.69 109.298 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' THR . . . . . 0.568 ' C ' ' HB ' ' B' ' 56' ' ' THR . 7.0 t -123.06 22.85 9.44 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.292 -0.413 . . . . 2.65 111.014 -171.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . 0.417 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -175.16 156.16 2.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.016 -0.538 . . . . 1.64 109.96 176.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . 0.628 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 48.5 t -130.67 113.4 14.13 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.191 -0.67 . . . . 1.6 109.191 172.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 29.7 m -106.43 145.75 13.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.068 -0.514 . . . . 1.53 110.924 -174.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . 0.677 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 42.8 t -92.55 116.44 29.0 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.212 -0.662 . . . . 1.45 109.212 177.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 18.1 m -98.22 152.38 4.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.993 -0.373 . . . . 2.0 109.993 -179.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 62.7 mt -112.3 139.73 47.61 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.278 0.561 . . . . 1.86 111.711 -174.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 38.6 t -121.38 140.53 52.0 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.793 -0.817 . . . . 3.01 108.793 172.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 . . . . . 0 C--N 1.324 -0.521 0 CA-C-O 121.092 0.472 . . . . 7.45 110.84 -176.278 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 . . . . . 0 N--CA 1.466 0.362 0 CA-C-O 121.363 0.601 . . . . 4.02 112.359 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.8 t -172.45 152.22 2.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.426 -0.806 . . . . 2.58 109.439 175.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -79.57 -6.09 9.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.291 0.567 . . . . 1.8 110.749 178.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.7 t -129.59 152.41 49.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.283 -0.872 . . . . 1.75 109.088 178.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.491 ' HB3' ' O ' ' A' ' 59' ' ' ARG . 6.3 t0 -73.48 115.21 12.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.326 0.584 . . . . 2.87 109.763 -176.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.4 m -112.53 134.71 53.91 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.75 -0.659 . . . . 1.91 110.693 -175.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.567 ' O ' ' HA ' ' A' ' 56' ' ' THR . 4.5 p -109.86 115.35 49.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.951 0.405 . . . . 1.88 110.669 178.226 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.9 m -97.07 119.29 35.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.086 -0.507 . . . . 1.95 110.533 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.1 t -119.82 138.07 51.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.145 -0.479 . . . . 1.55 110.365 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -97.36 95.61 7.8 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.874 -0.787 . . . . 1.86 108.874 173.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 49.0 t -87.38 112.86 23.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.86 -0.609 . . . . 1.41 110.297 -175.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.89 -12.38 64.02 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.359 -0.924 . . . . 1.36 112.486 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -141.18 72.53 1.39 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.766 0.317 . . . . 3.02 111.12 -178.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.497 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 58.6 tttp -74.66 127.51 33.3 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.998 -0.741 . . . . 1.64 108.998 174.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 t -83.49 -42.28 17.07 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.295 0.48 . . . . 2.12 112.295 -171.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.0 p -141.16 147.8 39.01 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.644 0.259 . . . . 1.54 111.007 -177.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -153.61 162.73 40.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.014 -0.539 . . . . 1.29 110.54 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.427 ' HB ' ' HE ' ' A' ' 103' ' ' ARG . 6.9 m -100.08 119.87 38.97 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.871 -0.604 . . . . 1.53 110.514 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.411 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 10.5 t70 -69.34 157.93 36.05 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.938 -0.764 . . . . 1.85 108.938 174.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.7 tt -58.9 -16.89 10.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 123.167 0.587 . . . . 1.74 111.908 -177.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -84.04 2.03 41.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.929 0.395 . . . . 2.65 110.867 177.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.55 24.38 50.59 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.127 -0.558 . . . . 1.25 112.232 177.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -107.89 128.43 54.61 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.686 0.279 . . . . 2.58 110.934 -178.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -88.87 115.56 26.5 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.531 -0.544 . . . . 2.19 109.531 177.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.5 m -130.3 161.24 40.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.128 0.489 . . . . 1.48 111.666 -175.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 29.2 m -82.75 121.58 27.07 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.334 -0.848 . . . . 1.5 110.367 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.497 ' HB ' ' O ' ' A' ' 25' ' ' LYS . 60.5 t -87.68 135.83 24.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.059 -0.518 . . . . 1.55 111.088 -174.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 74.3 mt -105.06 127.34 52.84 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.214 -0.661 . . . . 1.91 109.214 175.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.22 -23.68 63.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.235 0.541 . . . . 2.35 110.476 179.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.447 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 5.6 mm-40 -105.17 115.9 31.05 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.907 -1.042 . . . . 3.59 109.594 -177.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.44 HG21 ' O ' ' A' ' 49' ' ' PHE . 28.3 m -92.59 99.88 10.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 122.038 0.923 . . . . 2.85 110.534 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -78.12 99.66 6.26 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.886 -1.052 . . . . 3.25 109.646 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.474 HG22 ' OD1' ' A' ' 45' ' ' ASN . 65.3 mt -77.43 -71.85 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.738 -0.467 . . . . 2.98 109.738 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.474 ' OD1' HG22 ' A' ' 44' ' ' ILE . 11.6 m120 -135.6 -65.15 0.61 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.833 -0.803 . . . . 3.91 108.833 172.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -124.54 -17.01 6.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.243 -0.889 . . . . 5.31 110.052 177.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.4 m -97.22 127.77 43.5 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.947 -0.57 . . . . 3.53 110.17 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.447 ' CG1' ' HB3' ' A' ' 41' ' ' GLU . 43.7 t -116.38 123.14 71.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.953 -0.567 . . . . 2.78 110.151 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.44 ' O ' HG21 ' A' ' 42' ' ' VAL . 96.6 m-85 -120.7 160.95 22.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.583 -0.28 . . . . 4.85 110.602 -178.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.44 ' HB3' ' OE1' ' A' ' 41' ' ' GLU . 5.8 ptp180 -141.11 165.78 26.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.394 -0.366 . . . . 5.38 110.291 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -150.19 163.17 38.93 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.014 -0.735 . . . . 5.18 109.014 175.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -105.11 124.95 50.41 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.012 -0.736 . . . . 2.96 109.012 176.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -78.23 125.05 28.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.334 -0.393 . . . . 1.28 110.508 -176.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -84.94 94.26 8.74 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.842 -0.617 . . . . 4.41 109.798 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.767 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 26.7 mt-10 -104.29 104.62 14.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.15 -0.477 . . . . 1.49 110.737 -178.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.567 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 48.4 m -100.67 113.98 27.3 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.83 -0.433 . . . . 1.56 109.83 174.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -117.24 163.85 15.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.021 -0.536 . . . . 2.93 111.09 -172.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 84.4 m -85.44 112.23 20.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.708 -0.678 . . . . 1.77 111.262 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.491 ' O ' ' HB3' ' A' ' 16' ' ' ASP . 22.9 ptt180 -113.77 129.44 56.58 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.086 -0.709 . . . . 3.84 109.086 173.387 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 60.36 78.68 0.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.188 0.518 . . . . 2.96 109.962 -174.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.7 t -66.36 -11.63 52.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.594 -0.73 . . . . 3.02 111.401 -176.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.449 ' ND2' ' HA2' ' A' ' 67' ' ' GLY . 14.0 m120 -127.67 76.17 77.29 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 116.566 -0.288 . . . . 2.59 110.228 177.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -57.46 -31.69 92.05 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 122.292 1.995 . . . . 2.81 111.195 176.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.3 m -116.4 158.61 16.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.273 -0.876 . . . . 2.53 108.826 172.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -79.63 60.32 3.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.197 0.522 . . . . 4.19 110.614 -175.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.7 m -163.79 -45.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.312 -0.858 . . . . 4.07 109.356 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.449 ' HA2' ' ND2' ' A' ' 62' ' ' ASN . . . 166.74 -123.71 1.16 Allowed Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.691 -0.964 . . . . 2.7 110.691 -179.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 82.9 m -81.05 162.15 23.89 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.902 -0.407 . . . . 1.76 109.902 174.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 -78.2 135.63 37.65 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.703 0.287 . . . . 4.4 110.318 -177.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 103.17 -35.63 4.88 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 121.02 -0.609 . . . . 1.61 112.105 178.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 33.6 mm -63.17 122.82 14.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 110.306 -0.257 . . . . 2.04 110.306 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -61.87 -23.99 66.64 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.153 -0.476 . . . . 3.32 111.352 -178.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.512 ' HA ' ' O ' ' A' ' 76' ' ' TRP . 19.7 m 65.7 11.3 7.44 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.702 -0.681 . . . . 4.99 112.297 172.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -106.05 -36.02 7.07 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.422 -0.585 . . . . 3.32 109.422 175.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -91.74 -24.45 19.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.683 -0.689 . . . . 4.16 110.035 176.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.533 ' CE3' ' HB3' ' A' ' 112' ' ' LEU . 97.7 m95 -134.89 140.22 45.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.714 -0.676 . . . . 3.71 111.884 -172.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.457 ' HB3' ' OG ' ' A' ' 113' ' ' SER . 8.4 t30 -97.38 135.43 39.29 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.971 -1.122 . . . . 3.0 107.971 168.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.0 t -131.34 135.86 47.61 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.181 0.515 . . . . 2.16 112.369 -167.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.434 ' CZ ' HG23 ' A' ' 111' ' ' VAL . 42.5 p90 -156.83 166.93 31.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.321 -0.854 . . . . 4.07 108.806 170.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.514 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 12.9 m -105.32 140.86 37.81 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.851 0.358 . . . . 1.67 111.62 -170.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.486 ' O ' HG22 ' A' ' 109' ' ' VAL . 50.6 m -132.18 136.04 46.77 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.998 -0.546 . . . . 2.49 109.697 178.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.8 m -87.81 127.7 35.33 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.746 0.308 . . . . 3.09 111.028 -177.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.3 t -91.27 167.19 12.49 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.135 -0.32 . . . . 3.17 110.135 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -138.97 143.97 38.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.901 0.382 . . . . 4.4 111.552 -170.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.646 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 7.9 t -116.2 171.07 8.05 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.17 -0.678 . . . . 1.61 109.17 174.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.463 ' HA ' ' O ' ' A' ' 102' ' ' ILE . 97.4 m-85 -117.46 115.86 26.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.081 0.467 . . . . 2.52 110.573 -178.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.432 HG12 HG12 ' B' ' 87' ' ' VAL . 26.6 m -112.91 149.07 15.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.749 -0.66 . . . . 1.59 111.065 -176.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -75.19 110.9 9.91 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.319 -0.401 . . . . 4.22 110.031 176.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.78 139.91 51.97 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.293 -0.412 . . . . 1.57 110.646 178.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 26.0 tp -78.1 125.04 28.77 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.345 -0.983 . . . . 1.87 108.345 173.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 97' ' ' ALA . 66.5 p -124.0 153.83 40.72 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.972 -0.291 . . . . 1.44 110.749 -175.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.8 t -114.12 109.89 19.14 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.695 0.76 . . . . 1.63 109.804 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -74.27 -51.51 15.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.346 -0.843 . . . . 2.47 110.711 -175.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -136.89 -72.85 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.265 -0.425 . . . . 3.09 110.516 176.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -127.91 7.41 6.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.728 0.299 . . . . 3.75 111.273 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -130.02 154.18 47.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.875 0.369 . . . . 3.02 110.687 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -108.2 128.83 55.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.747 -0.661 . . . . 1.8 110.505 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -135.9 148.11 48.44 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.333 -0.394 . . . . 1.79 110.639 -178.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -75.72 124.97 28.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.103 -0.499 . . . . 2.88 110.85 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 100' ' ' ARG . 54.9 mmt-85 -126.92 164.37 21.59 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.943 -0.571 . . . . 3.92 110.729 178.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 30' ' ' ASP . 30.6 m-85 -110.37 106.09 15.32 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.691 -1.225 . . . . 2.74 107.691 176.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.463 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 39.0 pt -111.49 144.55 19.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.311 0.577 . . . . 1.33 111.619 -168.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.646 ' HA ' ' O ' ' A' ' 85' ' ' THR . 28.6 ptt180 -79.48 123.42 27.54 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 114.923 -1.035 . . . . 4.27 110.507 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 44.9 pt -121.97 143.03 35.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 109.692 -0.484 . . . . 1.36 109.692 173.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.767 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 37.9 m-20 -62.56 126.66 28.09 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.286 -0.635 . . . . 1.69 109.286 178.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.552 ' O ' ' HB ' ' A' ' 56' ' ' THR . 3.5 m -116.26 -36.43 4.05 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 112.781 0.659 . . . . 2.66 112.781 -172.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -156.47 158.63 37.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.771 0.319 . . . . 1.64 110.974 -176.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.514 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 51.7 t -105.64 117.47 34.11 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.091 -0.504 . . . . 1.59 109.652 177.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 81' ' ' THR . 12.0 m -104.91 158.89 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.313 -0.403 . . . . 1.52 110.088 -178.338 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 42.7 t -110.16 125.22 52.8 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.806 -0.442 . . . . 1.45 109.806 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.434 HG23 ' CZ ' ' A' ' 79' ' ' TYR . 2.9 m -92.39 154.21 3.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.351 -0.386 . . . . 2.0 110.304 -178.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.533 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . 96.8 mt -125.76 138.41 53.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.192 0.52 . . . . 1.86 110.383 175.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.475 ' O ' ' HA ' ' A' ' 76' ' ' TRP . 2.2 p -137.1 170.19 16.51 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.653 -0.703 . . . . 3.01 109.644 176.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 . . . . . 0 C--N 1.321 -0.642 0 N-CA-C 112.423 0.527 . . . . 7.46 112.423 -173.396 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 N--CA 1.468 0.438 0 CA-C-O 121.409 0.623 . . . . 4.01 112.278 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 33.4 t -172.71 151.99 2.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.45 -0.795 . . . . 2.58 109.413 176.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -79.54 -5.99 8.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.236 0.541 . . . . 1.81 110.727 178.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 49.8 t -129.55 152.33 49.19 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.295 -0.866 . . . . 1.75 109.144 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . 0.488 ' HB3' ' O ' ' B' ' 59' ' ' ARG . 6.3 t0 -73.47 115.32 12.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.363 0.602 . . . . 2.87 109.765 -176.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 18.1 m -112.6 134.64 54.02 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.778 -0.646 . . . . 1.91 110.602 -175.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.562 ' O ' ' HA ' ' B' ' 56' ' ' THR . 4.6 p -109.99 115.45 49.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.916 0.388 . . . . 1.88 110.699 178.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.1 m -97.14 118.84 34.47 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.985 -0.552 . . . . 1.95 110.712 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 46.6 t -119.55 138.24 50.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.222 -0.445 . . . . 1.55 110.271 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -97.52 95.83 7.9 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.721 -0.844 . . . . 1.86 108.721 173.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 48.5 t -87.41 112.83 23.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.823 -0.626 . . . . 1.41 110.382 -175.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.84 -12.22 64.39 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.235 -0.983 . . . . 1.36 112.457 -178.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -141.73 72.64 1.39 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.811 0.338 . . . . 3.01 111.13 -178.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.492 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 58.5 tttp -74.66 127.72 33.8 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.054 -0.721 . . . . 1.64 109.054 173.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 8.9 t -83.76 -42.36 16.61 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.164 0.431 . . . . 2.11 112.164 -171.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.0 p -141.07 147.66 38.94 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.693 0.282 . . . . 1.53 111.077 -177.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -153.34 162.92 40.78 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.952 -0.567 . . . . 1.29 110.603 176.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 6.7 m -100.31 119.88 39.08 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.898 -0.592 . . . . 1.52 110.514 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . 0.414 ' HA ' ' O ' ' B' ' 101' ' ' PHE . 10.3 t70 -69.43 157.94 36.11 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.094 -0.706 . . . . 1.84 109.094 174.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.5 tt -58.92 -16.56 9.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 123.056 0.543 . . . . 1.74 111.866 -177.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -84.43 2.24 41.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.894 0.378 . . . . 2.65 110.923 177.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.55 24.1 51.53 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 121.025 -0.607 . . . . 1.25 112.293 177.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -107.68 128.34 54.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.74 0.305 . . . . 2.58 111.053 -178.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -88.71 115.43 26.24 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.585 -0.524 . . . . 2.19 109.585 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 8.0 m -130.19 161.29 40.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.179 0.514 . . . . 1.48 111.644 -175.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 28.1 m -83.0 121.52 27.11 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.268 -0.878 . . . . 1.5 110.42 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.492 ' HB ' ' O ' ' B' ' 25' ' ' LYS . 61.0 t -87.75 135.57 25.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.066 -0.516 . . . . 1.55 111.225 -174.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 73.6 mt -104.88 127.13 52.59 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.258 -0.645 . . . . 1.91 109.258 175.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.11 -23.71 64.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.222 0.534 . . . . 2.34 110.398 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.45 ' HB3' ' CG1' ' B' ' 48' ' ' VAL . 5.5 mm-40 -105.18 115.92 31.08 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.029 -0.987 . . . . 3.59 109.658 -177.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.441 ' O ' HG23 ' B' ' 42' ' ' VAL . 28.3 m -92.58 99.92 10.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 122.001 0.905 . . . . 2.85 110.587 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -78.18 99.39 6.19 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.925 -1.034 . . . . 3.25 109.681 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.472 HG22 ' OD1' ' B' ' 45' ' ' ASN . 64.6 mt -76.98 -72.47 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.818 -0.438 . . . . 2.98 109.818 178.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . 0.472 ' OD1' HG22 ' B' ' 44' ' ' ILE . 11.8 m120 -135.0 -65.32 0.63 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.889 -0.782 . . . . 3.91 108.889 172.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -124.21 -17.16 6.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.174 -0.921 . . . . 5.31 109.927 177.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 16.5 m -97.0 127.5 43.03 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.932 -0.576 . . . . 3.54 110.185 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . 0.45 ' CG1' ' HB3' ' B' ' 41' ' ' GLU . 43.6 t -116.49 122.86 70.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.057 -0.52 . . . . 2.78 110.192 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . 0.43 ' O ' HG21 ' B' ' 42' ' ' VAL . 96.7 m-85 -120.26 160.92 22.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.486 -0.325 . . . . 4.84 110.71 -178.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.439 ' HB3' ' OE1' ' B' ' 41' ' ' GLU . 5.8 ptp180 -141.13 165.65 26.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.287 -0.415 . . . . 5.38 110.354 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -149.9 163.22 38.64 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.017 -0.735 . . . . 5.18 109.017 174.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -105.15 125.24 50.77 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.114 -0.699 . . . . 2.96 109.114 175.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -78.41 124.95 28.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.326 -0.397 . . . . 1.28 110.552 -176.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -84.88 94.54 8.77 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.84 -0.618 . . . . 4.41 109.83 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . 0.759 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 26.5 mt-10 -104.51 104.5 14.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.199 -0.455 . . . . 1.49 110.851 -178.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.562 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 48.7 m -100.52 114.07 27.39 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.736 -0.468 . . . . 1.57 109.736 174.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -117.39 163.65 16.04 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.907 -0.588 . . . . 2.93 111.094 -172.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 83.6 m -85.2 112.53 20.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.711 -0.677 . . . . 1.77 111.157 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . 0.488 ' O ' ' HB3' ' B' ' 16' ' ' ASP . 23.0 ptt180 -114.07 129.77 56.6 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.068 -0.716 . . . . 3.85 109.068 173.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . 60.16 78.27 0.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.164 0.507 . . . . 2.96 110.084 -174.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 46.7 t -66.01 -11.48 48.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.695 -0.684 . . . . 3.01 111.567 -176.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . 0.449 ' ND2' ' HA2' ' B' ' 67' ' ' GLY . 14.3 m120 -127.9 76.31 77.57 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 110.093 -0.336 . . . . 2.59 110.093 177.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -57.34 -32.08 92.82 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 122.225 1.95 . . . . 2.81 111.113 176.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 17.4 m -116.22 158.83 16.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.215 -0.902 . . . . 2.53 108.827 172.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -79.8 59.86 3.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.454 0.645 . . . . 4.2 110.721 -174.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 19.8 m -163.33 -45.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.231 -0.895 . . . . 4.07 109.36 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.449 ' HA2' ' ND2' ' B' ' 62' ' ' ASN . . . 166.8 -123.67 1.16 Allowed Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 110.631 -0.988 . . . . 2.7 110.631 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 79.3 m -80.68 162.37 24.2 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.985 -0.376 . . . . 1.76 109.985 174.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 46.9 mtp180 -78.46 135.33 37.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.567 -0.288 . . . . 4.4 110.239 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 103.41 -36.19 4.51 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.918 -0.658 . . . . 1.61 112.087 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 33.8 mm -62.69 122.48 13.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 122.306 0.243 . . . . 2.04 110.394 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -61.42 -24.12 66.3 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.43 -0.35 . . . . 3.32 111.571 -178.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' SER . . . . . 0.495 ' HA ' ' O ' ' B' ' 76' ' ' TRP . 19.7 m 66.03 11.14 7.55 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.553 -0.749 . . . . 4.99 112.275 172.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -105.93 -36.01 7.12 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.509 -0.552 . . . . 3.33 109.509 175.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -91.76 -24.18 19.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.842 -0.617 . . . . 4.16 109.939 176.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' TRP . . . . . 0.534 ' CE3' ' HB3' ' B' ' 112' ' ' LEU . 97.8 m95 -135.14 139.95 45.04 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.622 -0.717 . . . . 3.7 111.802 -172.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' ASN . . . . . 0.448 ' HB3' ' OG ' ' B' ' 113' ' ' SER . 8.3 t30 -97.41 135.36 39.4 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.966 -1.124 . . . . 3.0 107.966 168.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 25.3 t -131.21 135.86 47.76 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.369 0.507 . . . . 2.16 112.369 -166.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . 0.418 ' CZ ' HG23 ' B' ' 111' ' ' VAL . 42.3 p90 -156.93 166.8 32.34 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.437 -0.801 . . . . 4.07 108.841 170.085 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . 0.508 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 13.0 m -105.14 140.64 38.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.789 0.328 . . . . 1.67 111.616 -169.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.492 ' O ' HG22 ' B' ' 109' ' ' VAL . 52.5 m -132.05 135.99 46.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.986 -0.552 . . . . 2.49 109.541 178.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 16.6 m -87.78 127.9 35.32 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.848 0.356 . . . . 3.09 110.924 -177.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 7.0 t -91.39 166.96 12.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.412 -0.358 . . . . 3.17 110.183 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -138.7 144.12 39.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.464 -0.334 . . . . 4.39 111.522 -170.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' THR . . . . . 0.657 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 7.8 t -116.35 171.05 8.08 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.215 -0.661 . . . . 1.61 109.215 174.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.459 ' HA ' ' O ' ' B' ' 102' ' ' ILE . 97.4 m-85 -117.41 115.78 25.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.11 0.481 . . . . 2.52 110.604 -178.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . 0.432 HG12 HG12 ' A' ' 87' ' ' VAL . 27.3 m -112.77 148.99 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.643 -0.708 . . . . 1.59 111.027 -176.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -75.25 111.06 10.11 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.263 -0.426 . . . . 4.22 109.999 176.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.92 140.02 51.86 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.397 -0.365 . . . . 1.57 110.634 178.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 26.2 tp -78.0 124.85 28.52 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.401 -0.963 . . . . 1.87 108.401 174.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' THR . . . . . 0.417 ' O ' ' HA ' ' B' ' 97' ' ' ALA . 69.7 p -123.81 154.03 40.17 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 120.979 -0.288 . . . . 1.44 110.876 -176.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 6.4 t -114.11 109.79 18.99 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.802 0.81 . . . . 1.63 109.726 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -74.03 -52.13 13.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.319 -0.855 . . . . 2.46 110.55 -175.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -136.31 -72.78 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.248 -0.433 . . . . 3.09 110.74 176.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -128.17 7.65 6.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.639 0.257 . . . . 3.76 111.035 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -130.23 153.98 48.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.798 0.332 . . . . 3.02 110.805 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' B' ' 91' ' ' THR . . . -108.5 128.23 54.62 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.798 -0.637 . . . . 1.8 110.608 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -135.44 148.13 49.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.249 -0.432 . . . . 1.79 110.51 -177.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 69.9 m95 -75.91 124.69 27.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.168 -0.469 . . . . 2.87 110.939 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 55.5 mmt-85 -126.82 164.39 21.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.834 -0.621 . . . . 3.93 110.693 178.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.414 ' O ' ' HA ' ' B' ' 30' ' ' ASP . 31.0 m-85 -110.44 106.08 15.28 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 107.66 -1.237 . . . . 2.75 107.66 176.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' B' ' 86' ' ' PHE . 38.6 pt -111.5 144.6 19.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.218 0.532 . . . . 1.33 111.546 -168.025 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . 0.657 ' HA ' ' O ' ' B' ' 85' ' ' THR . 28.8 ptt180 -79.76 123.17 27.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.875 -1.057 . . . . 4.28 110.604 178.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 45.3 pt -121.69 143.03 35.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 116.006 -0.543 . . . . 1.36 109.811 173.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . 0.759 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 38.5 m-20 -62.86 126.85 28.73 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.302 -0.629 . . . . 1.69 109.302 178.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' THR . . . . . 0.553 ' O ' ' HB ' ' B' ' 56' ' ' THR . 3.5 m -116.31 -36.43 4.03 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 112.728 0.64 . . . . 2.65 112.728 -172.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -156.63 158.64 37.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.8 0.333 . . . . 1.64 110.872 -176.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . 0.508 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 52.4 t -105.67 117.53 34.26 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.95 -0.568 . . . . 1.6 109.582 178.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.492 HG22 ' O ' ' B' ' 81' ' ' THR . 11.9 m -104.96 158.79 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.392 -0.367 . . . . 1.53 110.095 -178.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 42.7 t -110.03 125.2 52.67 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.823 -0.436 . . . . 1.45 109.823 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.418 HG23 ' CZ ' ' B' ' 79' ' ' TYR . 2.9 m -92.37 154.51 3.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.328 -0.397 . . . . 2.0 110.233 -178.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . 0.534 ' HB3' ' CE3' ' B' ' 76' ' ' TRP . 95.5 mt -125.91 138.46 53.78 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.125 0.488 . . . . 1.86 110.193 175.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' SER . . . . . 0.47 ' O ' ' HA ' ' B' ' 76' ' ' TRP . 2.2 p -137.37 169.89 17.01 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.691 -0.686 . . . . 3.01 109.648 176.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 . . . . . 0 C--N 1.32 -0.699 0 N-CA-C 112.527 0.566 . . . . 7.45 112.527 -173.388 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.401 ' HB2' ' O ' ' B' ' 112' ' ' LEU . 44.6 m-85 . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 109.286 -0.635 . . . . 4.02 109.286 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.1 m -59.72 127.25 31.04 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.78 -1.1 . . . . 2.58 111.319 -176.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.6 m -68.33 -25.68 32.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.025 -0.534 . . . . 1.8 110.57 176.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 74.0 m -127.91 126.44 41.52 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.648 -0.871 . . . . 1.75 108.648 173.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.437 ' HB3' ' HB2' ' A' ' 60' ' ' ALA . 10.7 t70 -66.23 115.57 6.35 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.161 0.505 . . . . 2.87 110.033 -175.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.519 ' OG ' ' HB3' ' A' ' 108' ' ' CYS . 23.8 m -113.29 146.56 39.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.803 -0.635 . . . . 1.91 111.485 -172.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 56' ' ' THR . 2.8 p -119.54 116.12 49.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.828 -0.624 . . . . 1.88 110.185 174.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.8 m -101.85 121.65 42.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.103 -0.499 . . . . 1.95 110.839 -178.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.4 t -130.55 138.59 53.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.23 -0.441 . . . . 1.55 110.361 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -86.94 95.36 9.88 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.805 -0.813 . . . . 1.86 108.805 171.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 64.9 t -86.87 118.72 33.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.307 -0.86 . . . . 1.41 110.873 -173.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -108.08 11.13 37.35 Favored Glycine 0 N--CA 1.444 -0.833 0 N-CA-C 111.058 -0.817 . . . . 1.36 111.058 175.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -113.26 14.19 19.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.644 0.259 . . . . 3.02 111.036 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.499 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 81.1 tttt -77.76 101.21 6.59 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.357 -0.609 . . . . 1.64 109.357 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.7 t -96.04 -5.05 41.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.195 -0.457 . . . . 2.12 111.768 -172.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 1.0 OUTLIER -142.99 135.59 27.62 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.7 0.286 . . . . 1.54 111.053 178.511 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.33 166.14 27.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.215 -0.448 . . . . 1.29 110.735 178.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.5 m -100.44 118.06 35.9 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.201 -0.454 . . . . 1.53 110.533 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -70.12 163.38 26.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.046 -0.525 . . . . 1.85 109.673 175.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.3 tt -60.05 -26.02 34.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.937 0.399 . . . . 1.74 111.243 -178.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -80.49 -7.44 59.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.454 -0.339 . . . . 2.65 111.145 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.58 12.75 53.09 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.697 -0.763 . . . . 1.25 112.08 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -84.3 132.11 34.65 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.51 -0.181 . . . . 2.58 110.51 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -82.38 114.1 20.6 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.226 -1.028 . . . . 2.19 108.226 170.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 27' ' ' THR . 26.9 m -114.79 152.9 16.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 121.041 0.448 . . . . 1.48 111.151 -175.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.443 ' HB ' ' CG2' ' A' ' 92' ' ' THR . 23.8 m -85.44 106.43 16.79 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.338 -0.846 . . . . 1.5 109.643 178.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.499 ' HB ' ' O ' ' A' ' 25' ' ' LYS . 43.0 t -80.75 136.02 24.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.836 -0.62 . . . . 1.55 109.915 -178.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 76.5 mt -86.84 113.97 23.1 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.958 -0.565 . . . . 1.91 110.058 -178.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.505 ' O ' ' HA ' ' A' ' 50' ' ' ARG . . . -64.58 -37.1 86.38 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 108.808 -0.812 . . . . 2.35 108.808 174.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.413 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 45.2 mm-40 -106.14 114.43 28.55 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.612 -1.176 . . . . 3.59 108.212 172.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.588 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 35.6 m -100.0 135.65 34.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 C-N-CA 120.494 -0.483 . . . . 2.85 110.741 -178.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -95.44 98.76 10.79 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.889 -0.596 . . . . 3.25 109.71 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.7 mt -115.28 96.26 4.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.281 -0.418 . . . . 2.98 110.089 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 58.91 48.37 11.15 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.849 -0.614 . . . . 3.91 110.698 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 67.68 16.85 9.84 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.083 -0.962 . . . . 5.31 111.433 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.2 t -113.71 114.84 26.92 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.455 -0.943 . . . . 3.53 108.455 173.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.588 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 21.3 t -109.21 124.03 65.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.274 -0.421 . . . . 2.78 110.816 -174.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.407 ' O ' HG22 ' A' ' 42' ' ' VAL . 35.7 p90 -157.1 167.72 29.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.637 0.256 . . . . 4.85 110.751 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.505 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 90.7 mtm180 -87.97 128.56 35.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.201 0.524 . . . . 5.38 110.782 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.486 HE21 HG23 ' A' ' 42' ' ' VAL . 49.9 mm-40 -77.94 -38.71 44.76 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.342 -0.844 . . . . 5.18 112.522 -176.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 68.88 143.56 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.827 0 O-C-N 123.724 0.64 . . . . 2.96 111.405 -176.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -130.6 142.03 50.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.727 -0.669 . . . . 1.28 110.239 176.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -85.83 94.85 9.25 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.894 0.378 . . . . 4.41 110.431 -176.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -101.0 113.73 27.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.915 -0.584 . . . . 1.49 110.35 -178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 90.9 m -109.65 111.86 23.59 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.61 -0.515 . . . . 1.56 109.61 175.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -106.35 147.42 29.25 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.121 -0.49 . . . . 2.93 111.222 -173.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.402 ' SG ' HG23 ' A' ' 82' ' ' THR . 36.1 m -81.9 88.7 6.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.724 -0.671 . . . . 1.77 109.487 176.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -75.8 -18.4 59.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.797 0.332 . . . . 3.84 110.825 -177.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.437 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . . . -142.46 86.1 1.94 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.038 0.447 . . . . 2.96 110.649 175.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.5 m -79.86 131.76 35.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.849 -0.614 . . . . 3.02 109.718 177.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.5 m120 60.45 67.88 1.49 Allowed Pre-proline 0 N--CA 1.468 0.434 0 O-C-N 123.557 0.535 . . . . 2.59 110.206 -175.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.07 -33.2 91.98 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.586 2.191 . . . . 2.81 112.198 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.5 m -98.22 154.6 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.119 -0.492 . . . . 2.53 109.897 177.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -81.56 70.76 8.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.384 0.611 . . . . 4.19 110.063 -178.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.6 p -174.76 -70.59 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.979 -1.01 . . . . 4.07 109.43 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.21 -91.17 0.08 OUTLIER Glycine 0 N--CA 1.443 -0.852 0 CA-C-N 115.733 -0.667 . . . . 2.7 111.647 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 97.0 m -134.54 157.21 47.12 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.825 0.345 . . . . 1.76 110.783 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -62.08 114.2 3.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.458 -0.792 . . . . 4.4 111.078 -177.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 99.78 -22.47 40.25 Favored Glycine 0 N--CA 1.454 -0.139 0 C-N-CA 120.777 -0.725 . . . . 1.61 112.984 175.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 36.6 mm -77.52 138.43 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.791 0.329 . . . . 2.04 111.393 -177.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -71.37 95.93 1.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.04 -0.726 . . . . 3.32 109.04 171.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.2 t -83.47 13.46 4.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.206 -0.452 . . . . 4.99 111.083 -174.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -95.72 -41.89 8.65 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.038 0.447 . . . . 3.32 109.977 177.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -95.79 -17.79 20.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.892 -0.595 . . . . 4.16 110.514 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -123.41 144.41 49.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.964 -0.562 . . . . 3.71 111.149 -177.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.403 ' HB3' ' HB3' ' A' ' 113' ' ' SER . 31.1 t30 -100.45 134.71 43.0 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.824 -1.176 . . . . 3.0 107.824 169.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.619 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 4.9 m -129.38 134.16 47.73 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.802 0.334 . . . . 2.16 111.254 -173.417 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -149.22 147.03 27.92 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.039 -0.528 . . . . 4.07 110.277 175.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 31.9 m -88.13 124.37 33.73 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.312 -0.858 . . . . 1.67 110.369 -174.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 33.1 m -131.93 134.77 46.04 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.585 -0.734 . . . . 2.49 109.425 -178.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.438 ' HB ' ' HB3' ' A' ' 105' ' ' ASP . 15.3 p -78.34 137.65 38.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.919 0.39 . . . . 3.09 111.218 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.1 p -86.57 122.72 30.89 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 109.743 -0.466 . . . . 3.17 109.743 176.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.508 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 18.5 p-80 -104.85 121.93 44.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.131 -0.486 . . . . 4.4 110.411 -177.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.566 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 7.4 t -112.62 160.86 17.45 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.815 -0.809 . . . . 1.61 108.815 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.4 ' CE1' ' HB3' ' A' ' 103' ' ' ARG . 97.7 m-85 -102.89 117.87 35.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.059 0.456 . . . . 2.52 110.621 -175.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.5 m -109.96 153.39 11.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.508 -0.769 . . . . 1.59 110.384 -177.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -91.56 105.33 17.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.466 -0.788 . . . . 4.22 109.461 -176.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.38 144.15 51.1 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.068 0.461 . . . . 1.57 111.708 -174.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 26.8 tp -76.86 104.43 7.35 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.334 -0.617 . . . . 1.87 109.334 175.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 58.0 p -121.09 154.8 35.66 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.909 -0.587 . . . . 1.44 109.452 -178.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.443 ' CG2' ' HB ' ' A' ' 37' ' ' THR . 10.6 t -96.06 121.88 38.29 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 119.785 -0.766 . . . . 1.63 109.757 178.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -65.45 -26.59 68.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.755 -1.111 . . . . 2.47 109.844 -178.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -176.37 -64.31 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.801 -1.185 . . . . 3.09 107.801 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -137.13 30.65 2.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.561 0.696 . . . . 3.75 109.418 172.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -144.12 117.94 9.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.143 -0.935 . . . . 3.02 109.857 -176.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.61 125.57 29.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.32 -0.4 . . . . 1.8 110.897 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.41 150.03 38.49 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.011 -0.541 . . . . 1.79 110.043 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -79.58 100.55 7.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.978 0.418 . . . . 2.88 110.215 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -100.24 169.0 9.43 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.833 -0.621 . . . . 3.92 110.15 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -106.77 101.5 10.94 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.748 -0.834 . . . . 2.74 108.748 178.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 40.0 pt -112.29 142.63 24.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.168 0.508 . . . . 1.33 110.702 -172.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.566 ' HA ' ' O ' ' A' ' 85' ' ' THR . 7.5 ppt_? -82.78 132.02 35.18 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.727 -0.67 . . . . 4.27 110.985 -177.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.508 ' O ' ' HA ' ' A' ' 84' ' ' HIS . 47.5 pt -123.0 145.89 29.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.444 -0.798 . . . . 1.36 109.064 172.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.438 ' HB3' ' HB ' ' A' ' 82' ' ' THR . 17.2 m-20 -85.11 97.22 9.75 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.694 -0.854 . . . . 1.69 108.694 178.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.8 t -91.73 -13.76 31.1 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.908 -0.587 . . . . 2.66 112.236 -167.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -158.41 164.14 36.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.575 0.226 . . . . 1.64 110.839 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.519 ' HB3' ' OG ' ' A' ' 17' ' ' SER . 44.5 t -122.49 115.82 22.87 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.315 -0.624 . . . . 1.59 109.315 177.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 19.9 m -117.89 153.3 19.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.948 0.404 . . . . 1.52 111.007 -174.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.619 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 41.9 t -94.66 114.8 26.79 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.942 -0.762 . . . . 1.45 108.942 173.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 34.4 m -96.16 142.47 13.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 C-N-CA 120.569 -0.452 . . . . 2.0 109.92 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' B' ' 12' ' ' PHE . 58.9 mt -102.36 139.53 37.85 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.247 0.546 . . . . 1.86 110.661 -177.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.403 ' HB3' ' HB3' ' A' ' 77' ' ' ASN . 8.8 t -125.14 144.56 50.37 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 108.416 -0.957 . . . . 3.01 108.416 173.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 116.529 -0.305 . . . . 7.46 111.256 -175.198 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . 0.42 ' HB2' ' O ' ' A' ' 112' ' ' LEU . 44.9 m-85 . . . . . 0 N--CA 1.45 -0.45 0 CA-C-O 121.523 0.677 . . . . 4.01 109.265 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 15.9 m -59.03 127.33 31.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.75 -1.114 . . . . 2.58 111.329 -176.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 28.9 m -68.55 -25.69 31.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.998 -0.546 . . . . 1.81 110.509 176.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 75.1 m -127.91 126.68 41.97 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.745 -0.835 . . . . 1.75 108.745 173.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . 0.42 ' HB3' ' HB2' ' B' ' 60' ' ' ALA . 9.1 t70 -66.43 115.46 6.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.084 0.469 . . . . 2.87 109.974 -175.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' SER . . . . . 0.512 ' OG ' ' HB3' ' B' ' 108' ' ' CYS . 23.1 m -113.31 146.3 39.64 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.76 -0.655 . . . . 1.91 111.495 -172.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' B' ' 56' ' ' THR . 2.8 p -119.5 115.79 48.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.916 -0.584 . . . . 1.88 110.22 174.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.1 m -101.58 122.01 43.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.064 -0.517 . . . . 1.95 110.792 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 62.0 t -130.74 138.63 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.066 -0.515 . . . . 1.55 110.418 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -87.0 95.38 9.91 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.79 -0.819 . . . . 1.86 108.79 171.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 65.9 t -86.87 118.82 33.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.433 -0.803 . . . . 1.41 110.877 -173.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.91 10.78 37.77 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 111.141 -0.784 . . . . 1.36 111.141 175.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -113.33 14.33 19.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 3.01 110.894 -178.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.484 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 81.0 tttt -77.69 101.29 6.55 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.378 -0.601 . . . . 1.64 109.378 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 9.6 t -96.2 -5.37 40.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.296 -0.411 . . . . 2.11 111.828 -172.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' B' ' 36' ' ' VAL . 1.2 p -142.48 135.81 28.78 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.795 0.331 . . . . 1.53 111.077 178.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.18 166.23 26.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.278 -0.419 . . . . 1.29 110.772 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 3.6 m -100.52 117.96 35.74 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.152 -0.476 . . . . 1.52 110.417 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -70.07 163.4 26.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.112 -0.495 . . . . 1.84 109.669 175.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.3 tt -59.86 -25.76 33.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.003 0.43 . . . . 1.74 111.417 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -80.53 -7.97 59.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.365 -0.379 . . . . 2.65 111.19 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.9 12.57 52.46 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.849 -0.691 . . . . 1.25 112.205 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -83.94 132.27 34.78 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.579 -0.156 . . . . 2.58 110.579 -179.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -82.73 113.77 20.62 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.296 -1.002 . . . . 2.19 108.296 170.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' B' ' 27' ' ' THR . 27.1 m -114.58 152.87 16.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 116.211 -0.449 . . . . 1.48 111.154 -175.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' THR . . . . . 0.449 ' HB ' ' CG2' ' B' ' 92' ' ' THR . 25.9 m -85.34 106.57 16.82 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.271 -0.877 . . . . 1.5 109.552 178.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.484 ' HB ' ' O ' ' B' ' 25' ' ' LYS . 42.7 t -80.66 135.96 24.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 115.849 -0.614 . . . . 1.55 109.892 -178.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 76.6 mt -86.78 114.04 23.11 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.039 -0.528 . . . . 1.91 110.105 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.516 ' O ' ' HA ' ' B' ' 50' ' ' ARG . . . -64.5 -37.18 86.66 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 108.766 -0.827 . . . . 2.34 108.766 174.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.404 ' HB3' ' CG1' ' B' ' 48' ' ' VAL . 42.2 mm-40 -106.2 114.41 28.53 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.639 -1.164 . . . . 3.59 108.334 172.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.597 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 35.4 m -99.75 135.72 34.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 120.984 0.421 . . . . 2.85 110.74 -178.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -95.57 98.76 10.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.961 -0.563 . . . . 3.25 109.615 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 66.6 mt -115.19 96.12 4.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.227 -0.442 . . . . 2.98 110.099 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . 0.401 ' N ' HD21 ' B' ' 45' ' ' ASN . 0.9 OUTLIER 59.01 48.66 10.52 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.681 -0.69 . . . . 3.91 110.523 179.377 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 67.51 16.73 9.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.202 -0.908 . . . . 5.31 111.447 178.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 14.3 t -113.59 115.02 27.27 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.451 -0.944 . . . . 3.54 108.451 173.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . 0.597 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 20.2 t -109.63 123.34 65.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.251 -0.431 . . . . 2.78 110.882 -174.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . 0.425 ' O ' HG22 ' B' ' 42' ' ' VAL . 36.0 p90 -156.51 167.75 29.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.496 -0.32 . . . . 4.84 110.787 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.516 ' HA ' ' O ' ' B' ' 40' ' ' ALA . 90.5 mtm180 -88.05 128.5 35.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 5.38 110.871 -179.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . 0.485 HE21 HG23 ' B' ' 42' ' ' VAL . 49.9 mm-40 -77.88 -38.52 45.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.543 -0.753 . . . . 5.18 112.638 -176.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 68.81 143.5 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.636 0 O-C-N 123.658 0.599 . . . . 2.96 111.317 -176.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -130.63 142.04 50.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.726 -0.67 . . . . 1.28 110.128 176.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -85.81 94.97 9.27 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.963 0.411 . . . . 4.41 110.316 -176.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -101.2 113.22 26.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.897 -0.592 . . . . 1.49 110.339 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 91.5 m -108.98 112.1 24.13 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.69 -0.485 . . . . 1.57 109.69 175.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -106.56 147.07 29.88 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.171 -0.468 . . . . 2.93 111.187 -173.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 36.0 m -81.29 89.08 6.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.632 -0.713 . . . . 1.77 109.449 176.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -76.03 -18.79 59.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.644 0.259 . . . . 3.85 110.743 -177.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . 0.42 ' HB2' ' HB3' ' B' ' 16' ' ' ASP . . . -142.46 86.34 1.95 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.286 -0.416 . . . . 2.96 110.517 175.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 16.4 m -79.98 132.24 35.98 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.872 -0.604 . . . . 3.01 109.637 177.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 16.7 m120 60.14 67.87 1.57 Allowed Pre-proline 0 N--CA 1.467 0.392 0 O-C-N 123.445 0.466 . . . . 2.59 110.44 -174.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -61.51 -32.29 88.09 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.608 2.206 . . . . 2.81 112.234 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 24.0 m -98.96 154.6 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.128 -0.487 . . . . 2.53 109.887 177.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -81.41 70.17 8.21 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.371 0.605 . . . . 4.2 110.283 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 13.8 p -174.18 -70.01 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.055 -0.975 . . . . 4.07 109.466 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.87 -91.08 0.08 OUTLIER Glycine 0 N--CA 1.442 -0.965 0 CA-C-N 115.493 -0.776 . . . . 2.7 111.68 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 96.6 m -134.64 157.21 47.2 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.742 0.306 . . . . 1.76 110.8 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -61.98 114.09 3.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.591 -0.731 . . . . 4.4 111.105 -177.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 99.78 -22.32 40.95 Favored Glycine 0 N--CA 1.454 -0.137 0 C-N-CA 120.671 -0.776 . . . . 1.61 113.046 175.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 36.9 mm -77.7 138.1 21.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.721 0.296 . . . . 2.04 111.264 -177.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -71.1 95.81 1.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.053 -0.721 . . . . 3.32 109.053 171.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 12.4 t -83.54 13.89 4.19 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.166 -0.47 . . . . 4.99 110.999 -174.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -96.31 -41.87 8.43 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.87 -0.418 . . . . 3.33 109.87 177.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -95.65 -17.88 20.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.925 -0.579 . . . . 4.16 110.558 177.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -123.65 144.12 49.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.952 -0.567 . . . . 3.7 111.113 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -100.06 134.6 42.73 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 107.816 -1.179 . . . . 3.0 107.816 169.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.621 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 5.1 m -129.2 134.41 47.99 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 120.846 0.355 . . . . 2.16 111.113 -173.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -149.38 147.08 27.87 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 116.071 -0.513 . . . . 4.07 110.252 175.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 32.8 m -88.36 124.17 33.65 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.403 -0.817 . . . . 1.67 110.525 -173.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 34.6 m -131.8 135.04 46.45 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.57 -0.741 . . . . 2.49 109.337 -178.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.47 ' HB ' ' HB3' ' B' ' 105' ' ' ASP . 13.9 p -78.48 137.81 38.13 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.845 0.355 . . . . 3.09 111.139 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 20.5 p -86.58 122.53 30.63 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 109.766 -0.457 . . . . 3.17 109.766 176.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' HIS . . . . . 0.495 ' HA ' ' O ' ' B' ' 104' ' ' ILE . 18.7 p-80 -104.57 121.89 44.45 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.099 -0.501 . . . . 4.39 110.521 -178.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' THR . . . . . 0.578 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 7.2 t -112.55 160.88 17.38 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.865 -0.791 . . . . 1.61 108.865 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.401 ' CE1' ' HB3' ' B' ' 103' ' ' ARG . 97.5 m-85 -102.91 117.91 35.65 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.988 0.423 . . . . 2.52 110.477 -175.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 27.6 m -110.02 153.36 11.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.625 -0.716 . . . . 1.59 110.287 -177.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -91.63 105.19 17.55 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.401 -0.818 . . . . 4.22 109.434 -176.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.33 144.19 51.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.964 0.411 . . . . 1.57 111.706 -174.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 27.0 tp -76.91 104.46 7.42 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.313 -0.625 . . . . 1.87 109.313 175.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 60.1 p -121.21 154.79 35.81 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.854 -0.612 . . . . 1.44 109.401 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' THR . . . . . 0.449 ' CG2' ' HB ' ' B' ' 37' ' ' THR . 10.8 t -96.03 121.78 38.16 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 119.885 -0.726 . . . . 1.63 109.645 179.075 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.58 -26.54 67.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.784 -1.098 . . . . 2.46 109.941 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -176.35 -64.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 107.894 -1.15 . . . . 3.09 107.894 179.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -137.29 30.93 2.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.662 0.744 . . . . 3.76 109.243 171.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -144.03 118.12 9.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.077 -0.965 . . . . 3.02 109.905 -175.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.94 125.67 30.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.352 -0.385 . . . . 1.8 110.633 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.72 149.56 37.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.804 -0.634 . . . . 1.79 110.201 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -79.11 100.63 7.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.034 0.445 . . . . 2.87 110.387 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -100.42 168.84 9.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.833 -0.621 . . . . 3.93 110.071 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -106.65 101.43 10.88 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.699 -0.852 . . . . 2.75 108.699 178.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 40.4 pt -112.22 142.61 24.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.196 0.522 . . . . 1.33 110.845 -172.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . 0.578 ' HA ' ' O ' ' B' ' 85' ' ' THR . 7.5 ppt_? -82.8 131.95 35.18 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.712 -0.676 . . . . 4.28 110.866 -177.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' ILE . . . . . 0.495 ' O ' ' HA ' ' B' ' 84' ' ' HIS . 47.8 pt -122.97 145.84 29.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.242 -0.89 . . . . 1.36 109.031 172.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . 0.47 ' HB3' ' HB ' ' B' ' 82' ' ' THR . 16.6 m-20 -85.39 97.4 9.97 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.735 -0.839 . . . . 1.69 108.735 178.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 10.2 t -91.88 -13.72 30.83 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.781 -0.645 . . . . 2.65 112.104 -167.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -158.17 164.4 36.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.544 0.211 . . . . 1.64 110.873 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . 0.512 ' HB3' ' OG ' ' B' ' 17' ' ' SER . 44.4 t -122.74 115.77 22.61 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.278 -0.638 . . . . 1.6 109.278 177.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 19.7 m -117.86 153.4 19.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.88 0.371 . . . . 1.53 110.928 -174.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . 0.621 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 41.5 t -94.86 114.95 26.87 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.924 -0.769 . . . . 1.45 108.924 173.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 34.7 m -96.24 142.44 13.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.784 -0.45 . . . . 2.0 109.784 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . 0.401 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 58.6 mt -102.35 139.5 37.87 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.221 0.534 . . . . 1.86 110.697 -177.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 8.7 t -125.02 144.42 50.4 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 108.523 -0.917 . . . . 3.01 108.523 173.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 . . . . . 0 C--N 1.321 -0.639 0 CA-C-N 116.546 -0.297 . . . . 7.45 111.353 -175.123 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 121.01 0.434 . . . . 4.02 109.844 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.9 p -77.46 144.18 37.98 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.986 -0.552 . . . . 2.58 110.329 -178.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.3 m -61.91 -20.32 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-N 115.928 -0.578 . . . . 1.8 111.709 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.473 ' HB2' ' SG ' ' A' ' 110' ' ' CYS . 28.7 t -142.78 150.3 39.83 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.9 -0.778 . . . . 1.75 108.9 177.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -82.06 138.97 34.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.146 0.498 . . . . 2.87 110.811 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.0 p -138.46 150.91 46.92 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.955 -0.566 . . . . 1.91 111.113 -175.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.51 ' HB ' ' NE ' ' A' ' 59' ' ' ARG . 4.6 p -123.5 118.29 53.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.05 -0.523 . . . . 1.88 110.441 176.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.5 m -93.95 124.34 37.9 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.234 -0.439 . . . . 1.95 110.454 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 67.9 t -119.67 137.84 52.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.225 -0.443 . . . . 1.55 110.729 -177.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.432 ' HA ' ' O ' ' A' ' 53' ' ' PHE . 95.3 m95 -96.63 96.63 8.77 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.219 -0.66 . . . . 1.86 109.219 173.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.4 t -77.48 121.04 29.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.728 -0.669 . . . . 1.41 109.975 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.11 8.03 33.11 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.509 -0.853 . . . . 1.36 112.452 -178.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -148.18 47.18 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 3.02 110.964 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -71.89 131.78 43.48 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.357 -0.608 . . . . 1.64 109.357 177.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.6 t -103.77 -34.17 8.66 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.162 0.43 . . . . 2.12 112.162 -172.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.0 p -140.66 148.03 40.2 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.009 -0.432 . . . . 1.54 111.587 -177.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -149.16 170.52 18.24 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.827 -0.624 . . . . 1.29 110.209 175.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.6 m -108.71 119.34 39.24 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.053 -0.522 . . . . 1.53 110.29 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.476 ' OD1' ' HB3' ' A' ' 100' ' ' ARG . 19.6 t70 -68.59 159.78 31.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.5 -0.773 . . . . 1.85 109.677 177.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.0 tt -58.87 -21.39 19.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 122.722 0.409 . . . . 1.74 111.566 -178.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -82.9 -9.6 59.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.909 0.385 . . . . 2.65 111.032 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.29 16.86 36.17 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.827 -0.701 . . . . 1.25 112.501 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -94.05 140.81 29.26 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.583 0.23 . . . . 2.58 110.809 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -85.84 115.27 23.37 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.103 -0.703 . . . . 2.19 109.103 173.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -117.9 150.96 19.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 116.076 -0.511 . . . . 1.48 111.125 -175.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.456 ' HB ' ' CG2' ' A' ' 92' ' ' THR . 17.8 m -83.37 118.32 23.62 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 115.539 -0.755 . . . . 1.5 109.493 178.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.448 ' HA ' HG23 ' A' ' 91' ' ' THR . 97.5 t -82.61 135.7 24.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.119 -0.491 . . . . 1.55 110.681 -175.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 66.1 mt -104.56 105.67 15.86 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 109.345 -0.613 . . . . 1.91 109.345 178.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.54 -28.41 69.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.531 0.681 . . . . 2.35 109.825 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -106.64 126.19 51.96 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.886 -1.052 . . . . 3.59 108.871 174.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.2 m -88.85 122.7 40.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 121.461 0.648 . . . . 2.85 110.363 -176.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -86.88 98.34 11.16 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.295 -0.866 . . . . 3.25 110.131 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.401 ' HB ' ' HB2' ' A' ' 47' ' ' SER . 77.6 mt -117.06 148.31 19.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 108.222 -1.029 . . . . 2.98 108.222 176.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -58.47 108.93 0.69 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.749 0.309 . . . . 3.91 110.692 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.19 28.39 3.06 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.198 -0.91 . . . . 5.31 110.896 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.401 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 67.7 m -157.76 114.29 2.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.892 0.377 . . . . 3.53 110.76 175.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 52.1 t -132.36 115.78 26.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 2.78 109.923 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -149.38 157.5 43.37 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.736 0.303 . . . . 4.85 111.039 -178.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -84.95 124.94 32.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.802 -0.636 . . . . 5.38 111.005 -176.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.453 ' HB3' ' HD2' ' B' ' 88' ' ' LYS . 15.9 mm100 -112.61 100.84 9.04 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.66 -0.7 . . . . 5.18 109.887 179.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -67.98 167.7 13.28 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.253 -0.431 . . . . 2.96 111.545 -173.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.432 ' O ' ' HA ' ' A' ' 21' ' ' TRP . 80.0 m-85 -124.76 136.73 54.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.958 -0.564 . . . . 1.28 110.806 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -94.11 101.59 13.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.313 -0.403 . . . . 4.41 110.101 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -121.04 121.87 38.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.933 0.396 . . . . 1.49 110.536 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.2 m -106.82 127.95 53.84 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.002 -0.545 . . . . 1.56 110.516 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -112.24 157.84 20.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.201 -0.454 . . . . 2.93 110.3 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.453 ' SG ' HG23 ' A' ' 82' ' ' THR . 70.6 m -79.39 125.15 29.16 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.239 -0.437 . . . . 1.77 110.363 179.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.51 ' NE ' ' HB ' ' A' ' 18' ' ' VAL . 87.3 mtt180 -81.51 88.68 6.16 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.936 -0.394 . . . . 3.84 109.936 176.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 60.28 86.91 0.09 Allowed 'General case' 0 C--O 1.233 0.201 0 O-C-N 123.87 0.731 . . . . 2.96 110.308 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.6 m -52.69 135.79 34.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.662 -0.699 . . . . 3.02 111.546 -176.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 70.97 81.46 0.18 Allowed Pre-proline 0 C--O 1.234 0.258 0 CA-C-N 115.375 -0.83 . . . . 2.59 110.312 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.51 -27.08 81.63 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.007 2.471 . . . . 2.81 112.95 -177.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 36.0 m -117.78 159.49 17.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.829 0.347 . . . . 2.53 110.113 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -70.43 -8.93 54.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 4.19 111.687 -173.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.7 m -105.26 16.08 26.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.029 0.442 . . . . 4.07 110.591 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.97 -106.33 2.57 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.837 -0.697 . . . . 2.7 111.886 178.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 85.2 m -110.62 145.83 37.22 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.969 0.414 . . . . 1.76 110.387 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 45.2 ttm180 -67.5 119.2 11.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.663 -0.699 . . . . 4.4 111.185 -173.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 111.89 -27.18 10.59 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.719 -0.753 . . . . 1.61 112.575 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.9 mm -74.67 134.43 29.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.812 0.339 . . . . 2.04 111.325 -177.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -70.28 115.03 9.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 3.32 109.801 175.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.8 p -85.79 6.46 27.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.102 -0.499 . . . . 4.99 112.204 -173.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -96.14 -44.06 7.47 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.777 0.322 . . . . 3.32 110.21 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -90.96 -30.34 16.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.983 -0.553 . . . . 4.16 110.741 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.454 ' CE3' ' HB3' ' A' ' 112' ' ' LEU . 98.8 m95 -127.85 156.4 42.61 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.916 -0.584 . . . . 3.71 110.774 -177.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.541 ' OD1' ' HB3' ' A' ' 113' ' ' SER . 3.0 p-10 -125.28 141.3 52.16 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 107.782 -1.192 . . . . 3.0 107.782 165.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.528 ' HA ' ' O ' ' A' ' 111' ' ' VAL . 8.4 t -134.75 144.39 47.68 Favored 'General case' 0 C--N 1.315 -0.904 0 C-N-CA 120.676 -0.41 . . . . 2.16 110.639 -174.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -144.39 150.35 37.59 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.775 -0.648 . . . . 4.07 110.19 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.695 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 44.5 m -79.59 121.34 25.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.28 -0.873 . . . . 1.67 110.842 -176.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 46.6 m -131.25 131.04 43.62 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.884 -0.598 . . . . 2.49 109.793 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.464 ' HB ' ' HB3' ' A' ' 105' ' ' ASP . 6.3 p -73.98 121.24 20.72 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 121.007 0.432 . . . . 3.09 110.917 177.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.4 t -79.1 138.97 38.17 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 121.256 0.551 . . . . 3.17 110.083 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -103.49 126.65 50.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.562 -0.745 . . . . 4.4 109.969 -173.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.498 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 13.8 t -117.35 158.03 25.12 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.007 -0.738 . . . . 1.61 109.007 177.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -104.66 115.98 31.27 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.919 -0.401 . . . . 2.52 109.919 -177.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.487 ' O ' ' HA ' ' A' ' 101' ' ' PHE . 17.3 m -111.17 147.22 15.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.313 0.578 . . . . 1.59 111.562 -176.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.453 ' HD2' ' HB3' ' B' ' 51' ' ' GLN . 36.8 pttt -80.55 100.89 8.82 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.726 -1.125 . . . . 4.22 110.855 -179.277 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.62 148.27 50.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.715 -0.675 . . . . 1.57 110.71 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.6 tp -75.38 112.0 11.25 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.474 -0.565 . . . . 1.87 109.474 176.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.448 HG23 ' HA ' ' A' ' 38' ' ' VAL . 73.7 p -129.06 159.75 34.96 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.165 -0.47 . . . . 1.44 109.953 -178.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.456 ' CG2' ' HB ' ' A' ' 37' ' ' THR . 9.6 t -121.13 122.12 39.33 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.231 0.539 . . . . 1.63 109.947 176.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -80.18 -22.06 42.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.799 -0.637 . . . . 2.47 110.586 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -163.33 -67.15 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.913 -0.585 . . . . 3.09 110.225 -178.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -121.03 -54.13 2.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.997 0.427 . . . . 3.75 111.266 -177.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -78.61 151.25 32.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.15 -0.477 . . . . 3.02 111.265 -175.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.5 127.95 49.33 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.622 -0.717 . . . . 1.8 109.759 176.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -136.48 147.26 47.07 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.783 0.325 . . . . 1.79 110.942 -177.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -78.05 94.57 4.68 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.599 -0.519 . . . . 2.88 109.599 177.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.476 ' HB3' ' OD1' ' A' ' 30' ' ' ASP . 13.9 mmm180 -104.95 161.57 14.09 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.322 -0.854 . . . . 3.92 110.298 -174.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.487 ' HA ' ' O ' ' A' ' 87' ' ' VAL . 90.4 m-85 -98.85 110.2 22.84 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.635 -0.505 . . . . 2.74 109.635 176.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 28.7 pt -113.33 147.1 17.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.06 -0.518 . . . . 1.33 110.904 -174.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.498 ' HA ' ' O ' ' A' ' 85' ' ' THR . 1.3 ptm180 -78.39 115.31 18.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.439 0.638 . . . . 4.27 111.617 -178.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 45.0 pt -116.06 150.1 18.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 109.163 -0.68 . . . . 1.36 109.163 170.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.464 ' HB3' ' HB ' ' A' ' 82' ' ' THR . 5.5 m-20 -84.28 107.33 16.52 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.917 -0.771 . . . . 1.69 108.917 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.7 t -94.16 -25.05 17.28 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.539 0.57 . . . . 2.66 112.539 -168.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -158.76 160.54 36.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.636 0.255 . . . . 1.64 110.957 -176.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.695 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 51.0 t -107.73 115.14 29.6 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.108 -0.701 . . . . 1.59 109.108 178.044 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 24.6 m -116.01 146.42 20.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.893 0.378 . . . . 1.52 111.033 -174.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.473 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 69.5 m -89.3 112.4 23.46 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.15 -0.477 . . . . 1.45 109.978 175.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.528 ' O ' ' HA ' ' A' ' 78' ' ' SER . 27.0 m -89.59 144.76 8.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.106 -0.497 . . . . 2.0 110.308 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.454 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . 84.3 mt -106.49 139.18 41.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.944 0.402 . . . . 1.86 111.256 -178.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.541 ' HB3' ' OD1' ' A' ' 77' ' ' ASN . 20.3 t -132.22 146.59 52.11 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.875 -0.602 . . . . 3.01 109.387 173.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.455 ' O ' ' HG3' ' A' ' 114' ' ' ARG . 20.6 tpp180 . . . . . 0 CA--C 1.537 0.457 0 CA-C-N 116.08 -0.509 . . . . 7.46 111.523 -174.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 109.747 -0.464 . . . . 4.01 109.747 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 41.7 p -77.54 144.04 37.93 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.039 -0.528 . . . . 2.58 110.305 -178.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.5 m -61.75 -20.06 22.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 115.911 -0.586 . . . . 1.81 111.897 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.471 ' HB2' ' SG ' ' B' ' 110' ' ' CYS . 28.1 t -142.94 150.48 39.8 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.874 -0.787 . . . . 1.75 108.874 177.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -82.61 138.96 34.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.143 0.497 . . . . 2.87 110.789 -179.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 28.4 p -138.61 150.75 46.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.902 -0.59 . . . . 1.91 111.11 -175.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.503 ' HB ' ' NE ' ' B' ' 59' ' ' ARG . 4.4 p -123.42 117.99 53.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.046 -0.525 . . . . 1.88 110.456 176.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 50.5 m -93.57 124.37 37.52 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.236 -0.438 . . . . 1.95 110.519 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 69.4 t -119.54 137.92 51.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.269 -0.423 . . . . 1.55 110.682 -177.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . 0.444 ' HA ' ' O ' ' B' ' 53' ' ' PHE . 95.3 m95 -96.78 96.46 8.59 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.279 -0.637 . . . . 1.86 109.279 173.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 48.0 t -77.1 121.31 29.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.578 -0.737 . . . . 1.41 110.048 -178.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.53 8.02 32.26 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.525 -0.845 . . . . 1.36 112.444 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -147.98 46.67 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 3.01 111.065 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -71.31 132.06 44.34 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.275 -0.639 . . . . 1.64 109.275 177.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 14.1 t -104.1 -33.79 8.63 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.173 0.435 . . . . 2.11 112.173 -172.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.7 p -141.07 148.49 40.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.922 0.391 . . . . 1.53 111.45 -178.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -149.52 170.17 19.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.788 -0.642 . . . . 1.29 110.273 175.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 31.2 m -108.05 119.43 39.45 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.171 -0.468 . . . . 1.52 110.336 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . 0.477 ' OD1' ' HB3' ' B' ' 100' ' ' ARG . 19.1 t70 -68.65 159.71 31.57 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.483 -0.78 . . . . 1.84 109.659 177.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 16.0 tt -58.94 -21.14 18.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-N 116.335 -0.393 . . . . 1.74 111.679 -178.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -83.14 -9.35 59.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.401 -0.363 . . . . 2.65 110.978 178.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.99 16.96 36.6 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.798 -0.715 . . . . 1.25 112.478 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -94.22 140.23 30.03 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.509 0.195 . . . . 2.58 110.856 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -85.17 115.45 22.97 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.012 -0.736 . . . . 2.19 109.012 173.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -118.09 150.97 20.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 116.14 -0.482 . . . . 1.48 111.08 -175.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' THR . . . . . 0.455 ' HB ' ' CG2' ' B' ' 92' ' ' THR . 16.1 m -82.8 118.36 23.34 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.391 -0.822 . . . . 1.5 109.533 178.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.442 ' HA ' HG23 ' B' ' 91' ' ' THR . 98.3 t -82.66 135.99 23.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 116.098 -0.501 . . . . 1.55 110.563 -176.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 65.5 mt -104.77 105.75 15.96 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.38 -0.6 . . . . 1.91 109.38 177.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.49 -28.46 69.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.452 0.644 . . . . 2.34 109.819 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -106.58 126.41 52.23 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.998 -1.001 . . . . 3.59 108.674 174.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 28.0 m -88.97 122.44 40.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-O 121.45 0.643 . . . . 2.85 110.453 -176.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -86.74 98.29 11.07 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.297 -0.865 . . . . 3.25 110.136 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 77.4 mt -116.82 148.67 19.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 108.249 -1.019 . . . . 2.98 108.249 176.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -58.53 109.35 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.666 0.27 . . . . 3.91 110.609 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 70.49 28.35 3.69 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.221 -0.9 . . . . 5.31 110.994 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 71.6 m -157.65 114.36 2.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.789 0.328 . . . . 3.54 110.837 175.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 54.2 t -132.43 116.05 27.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.832 -0.433 . . . . 2.78 109.832 176.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -149.66 157.22 43.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.797 0.332 . . . . 4.84 110.945 -178.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -84.35 125.24 32.11 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.777 -0.647 . . . . 5.38 111.122 -176.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . 0.453 ' HB3' ' HD2' ' A' ' 88' ' ' LYS . 15.9 mm100 -112.85 100.59 8.78 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.687 -0.688 . . . . 5.18 109.96 179.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -67.53 167.92 11.96 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 120.971 0.415 . . . . 2.96 111.698 -173.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . 0.444 ' O ' ' HA ' ' B' ' 21' ' ' TRP . 79.9 m-85 -124.88 136.77 54.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.9 -0.591 . . . . 1.28 110.749 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -94.28 101.75 13.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.311 -0.404 . . . . 4.41 110.012 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -121.2 121.73 38.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.89 0.376 . . . . 1.49 110.534 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 61.4 m -106.61 128.15 53.92 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.982 -0.554 . . . . 1.57 110.501 -178.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -112.34 157.69 20.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.232 -0.44 . . . . 2.93 110.35 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' CYS . . . . . 0.468 ' SG ' HG23 ' B' ' 82' ' ' THR . 68.9 m -79.25 125.42 29.45 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.3 -0.409 . . . . 1.77 110.33 179.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . 0.503 ' NE ' ' HB ' ' B' ' 18' ' ' VAL . 87.3 mtt180 -81.95 88.91 6.35 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.87 -0.419 . . . . 3.85 109.87 176.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . 59.92 87.15 0.09 Allowed 'General case' 0 C--O 1.233 0.206 0 O-C-N 123.76 0.662 . . . . 2.96 110.238 -176.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 39.8 m -52.38 135.99 32.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.46 -0.791 . . . . 3.01 111.353 -176.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 70.52 81.5 0.19 Allowed Pre-proline 0 C--O 1.232 0.182 0 CA-C-N 115.357 -0.838 . . . . 2.59 110.233 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -61.26 -27.3 83.21 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 122.866 2.377 . . . . 2.81 112.99 -177.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 35.4 m -117.69 159.75 17.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.992 -0.373 . . . . 2.53 109.992 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -70.83 -8.76 54.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.119 -0.491 . . . . 4.2 111.663 -173.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 19.5 m -105.53 16.51 25.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.096 0.474 . . . . 4.07 110.583 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.51 -106.19 2.6 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.879 -0.677 . . . . 2.7 112.077 178.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 85.0 m -110.73 145.71 37.57 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.789 0.328 . . . . 1.76 110.452 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 45.2 ttm180 -67.15 119.25 11.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.696 -0.683 . . . . 4.4 111.26 -173.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 111.8 -27.22 10.61 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.671 -0.776 . . . . 1.61 112.632 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 48.6 mm -74.78 134.17 30.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.672 0.272 . . . . 2.04 111.219 -177.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -70.0 115.25 8.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 3.32 109.866 175.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 5.2 p -86.14 6.95 26.87 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.116 -0.493 . . . . 4.99 112.134 -173.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -96.82 -43.4 7.52 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.813 0.339 . . . . 3.33 110.362 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 -91.29 -30.57 16.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.95 -0.568 . . . . 4.16 110.753 179.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' TRP . . . . . 0.446 ' CE3' ' HB3' ' B' ' 112' ' ' LEU . 98.7 m95 -127.88 156.23 42.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.955 -0.566 . . . . 3.7 110.79 -177.047 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' ASN . . . . . 0.529 ' OD1' ' HB3' ' B' ' 113' ' ' SER . 3.0 p-10 -125.32 141.15 52.24 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 107.682 -1.229 . . . . 3.0 107.682 165.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.549 ' HA ' ' O ' ' B' ' 111' ' ' VAL . 8.4 t -134.57 144.45 47.96 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.757 -0.377 . . . . 2.16 110.564 -174.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -144.4 150.59 37.97 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.778 -0.646 . . . . 4.07 110.082 175.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . 0.694 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 45.2 m -79.72 121.45 25.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.282 -0.872 . . . . 1.67 110.71 -176.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 47.4 m -131.32 130.71 43.07 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.879 -0.601 . . . . 2.49 109.864 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.469 ' HB ' ' HB3' ' B' ' 105' ' ' ASP . 6.6 p -73.71 120.89 19.94 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-O 120.99 0.424 . . . . 3.09 110.957 177.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 9.7 t -79.03 139.14 38.23 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-O 121.275 0.559 . . . . 3.17 109.934 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 27.7 m-70 -103.61 126.68 50.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.459 -0.791 . . . . 4.39 110.012 -173.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' THR . . . . . 0.5 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 13.9 t -117.39 157.79 25.58 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.085 -0.709 . . . . 1.61 109.085 176.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.404 ' HB3' ' HB3' ' B' ' 101' ' ' PHE . 86.9 m-85 -104.5 116.01 31.35 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.022 0.439 . . . . 2.52 109.977 -177.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' B' ' 101' ' ' PHE . 17.4 m -111.12 146.96 15.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.384 0.611 . . . . 1.59 111.672 -176.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . 0.453 ' HD2' ' HB3' ' A' ' 51' ' ' GLN . 36.9 pttt -80.22 100.89 8.54 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.724 -1.126 . . . . 4.22 111.038 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.63 148.34 50.79 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.701 -0.681 . . . . 1.57 110.69 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 21.7 tp -75.6 112.0 11.5 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.431 -0.581 . . . . 1.87 109.431 176.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' THR . . . . . 0.442 HG23 ' HA ' ' B' ' 38' ' ' VAL . 72.1 p -128.98 159.62 35.3 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.012 -0.54 . . . . 1.44 109.921 -178.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' THR . . . . . 0.455 ' CG2' ' HB ' ' B' ' 37' ' ' THR . 10.1 t -121.1 122.26 39.66 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.334 0.588 . . . . 1.63 109.993 176.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -80.46 -21.67 41.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.799 -0.637 . . . . 2.46 110.49 -178.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -163.63 -67.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.163 -0.472 . . . . 3.09 110.216 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -120.99 -53.68 2.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.314 -0.403 . . . . 3.76 111.588 -178.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -79.02 151.69 31.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.14 -0.482 . . . . 3.02 111.267 -175.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.95 127.7 50.06 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.897 -0.592 . . . . 1.8 109.715 176.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -136.1 147.09 47.65 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.918 0.39 . . . . 1.79 110.988 -177.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -77.71 95.06 4.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.304 0.573 . . . . 2.87 109.57 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 100' ' ' ARG . . . . . 0.477 ' HB3' ' OD1' ' B' ' 30' ' ' ASP . 13.8 mmm180 -105.4 161.54 14.23 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.286 -0.87 . . . . 3.93 110.321 -174.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.489 ' HA ' ' O ' ' B' ' 87' ' ' VAL . 90.2 m-85 -98.71 110.18 22.82 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.698 -0.482 . . . . 2.75 109.698 175.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 28.9 pt -113.39 147.04 17.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.961 -0.563 . . . . 1.33 111.008 -174.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . 0.5 ' HA ' ' O ' ' B' ' 85' ' ' THR . 1.2 ptm180 -78.33 115.22 17.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.445 0.641 . . . . 4.28 111.564 -177.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 44.8 pt -116.02 150.1 18.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 N-CA-C 109.152 -0.684 . . . . 1.36 109.152 170.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . 0.469 ' HB3' ' HB ' ' B' ' 82' ' ' THR . 6.0 m-20 -84.33 107.26 16.51 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 109.016 -0.735 . . . . 1.69 109.016 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 9.8 t -94.08 -24.99 17.36 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.525 0.565 . . . . 2.65 112.525 -168.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . 0.427 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -158.77 160.5 36.38 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 121.054 -0.258 . . . . 1.64 110.934 -177.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . 0.694 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 50.2 t -107.63 115.16 29.65 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.21 -0.663 . . . . 1.6 109.21 177.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 24.5 m -115.99 146.15 20.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.839 0.352 . . . . 1.53 111.067 -174.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . 0.471 ' SG ' ' HB2' ' B' ' 15' ' ' CYS . 69.5 m -88.97 112.51 23.44 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.291 -0.413 . . . . 1.45 109.997 175.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.549 ' O ' ' HA ' ' B' ' 78' ' ' SER . 27.1 m -89.78 144.76 8.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.162 -0.472 . . . . 2.0 110.344 -179.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . 0.446 ' HB3' ' CE3' ' B' ' 76' ' ' TRP . 83.8 mt -106.3 139.11 41.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.911 0.386 . . . . 1.86 111.264 -178.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' SER . . . . . 0.529 ' HB3' ' OD1' ' B' ' 77' ' ' ASN . 20.1 t -132.16 146.44 52.03 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.922 -0.581 . . . . 3.01 109.459 173.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' B' ' 114' ' ' ARG . 20.3 tpp180 . . . . . 0 CA--C 1.537 0.479 0 CA-C-N 116.24 -0.437 . . . . 7.45 111.397 -174.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 CA--C 1.518 -0.258 0 CA-C-O 121.052 0.453 . . . . 4.02 110.145 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.4 t -90.21 156.49 18.28 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.593 -0.731 . . . . 2.58 110.31 -178.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.4 m -75.47 -17.78 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.593 -0.731 . . . . 1.8 111.031 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.64 ' HB2' ' SG ' ' A' ' 110' ' ' CYS . 42.0 t -133.27 152.37 51.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.954 -0.566 . . . . 1.75 109.936 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -94.89 115.65 27.73 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.762 -0.459 . . . . 2.87 109.762 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.481 ' OG ' ' HB3' ' A' ' 108' ' ' CYS . 17.9 m -122.65 160.63 25.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.041 -0.527 . . . . 1.91 111.246 -173.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.404 ' HB ' ' HD2' ' A' ' 59' ' ' ARG . 3.5 p -126.05 116.12 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.939 0.4 . . . . 1.88 110.698 175.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.5 m -94.85 121.14 36.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.364 -0.38 . . . . 1.95 110.184 177.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.3 t -119.29 138.1 51.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.042 -0.526 . . . . 1.55 110.446 -177.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -95.37 95.81 8.71 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.873 -0.788 . . . . 1.86 108.873 173.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.442 HG23 ' OE2' ' A' ' 55' ' ' GLU . 85.2 t -88.76 122.7 40.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.13 -0.941 . . . . 1.41 111.355 -173.097 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.87 24.68 7.83 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 110.844 -0.902 . . . . 1.36 110.844 173.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -130.44 15.65 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 3.02 111.35 -178.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.426 ' HZ3' ' CD ' ' A' ' 55' ' ' GLU . 24.6 ttmm -70.43 127.31 32.28 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.674 -0.491 . . . . 1.64 109.674 179.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.5 t -103.07 -30.71 10.58 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.834 0.309 . . . . 2.12 111.834 -175.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.5 p -138.98 142.26 38.36 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.956 0.407 . . . . 1.54 111.778 -178.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.95 167.62 22.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.715 -0.675 . . . . 1.29 110.096 177.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.3 m -108.79 118.94 38.09 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.889 0.376 . . . . 1.53 110.776 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -66.86 165.68 14.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.616 -0.72 . . . . 1.85 110.547 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.469 ' HA ' ' CE1' ' A' ' 86' ' ' PHE . 14.5 tt -59.22 -29.84 42.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.805 0.336 . . . . 1.74 111.297 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -76.96 -11.48 59.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.843 0.354 . . . . 2.65 110.844 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.33 17.78 30.57 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.984 -0.626 . . . . 1.25 112.397 178.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -95.16 138.82 32.35 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.627 0.251 . . . . 2.58 110.647 -178.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -82.53 115.41 21.5 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.539 -0.541 . . . . 2.19 109.539 175.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.0 m -115.94 152.27 17.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.098 -0.501 . . . . 1.48 110.897 -177.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.471 ' HB ' HG22 ' A' ' 92' ' ' THR . 30.9 m -88.63 121.82 31.41 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 115.592 -0.731 . . . . 1.5 109.333 177.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.464 ' HA ' HG23 ' A' ' 91' ' ' THR . 98.7 t -81.24 130.35 36.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.807 -0.633 . . . . 1.55 110.869 -175.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 75.9 mt -100.01 94.42 6.26 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.997 -0.547 . . . . 1.91 109.527 177.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.511 ' O ' ' HA ' ' A' ' 50' ' ' ARG . . . -60.54 -35.45 76.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.362 0.601 . . . . 2.35 109.619 178.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.438 ' HG2' ' HG2' ' A' ' 50' ' ' ARG . 23.9 mt-10 -106.66 115.27 29.9 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.06 -0.973 . . . . 3.59 108.725 175.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 22.5 m -99.65 140.48 18.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.896 0.379 . . . . 2.85 110.977 -175.052 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -112.45 99.3 7.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.995 -0.548 . . . . 3.25 110.016 178.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 54.4 mt -105.29 86.92 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.801 -0.444 . . . . 2.98 109.801 178.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.4 ' N ' HD21 ' A' ' 45' ' ' ASN . 0.9 OUTLIER 66.99 -77.78 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.543 -0.753 . . . . 3.91 110.933 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -133.72 2.13 3.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.482 -0.326 . . . . 5.31 110.516 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.1 m -107.94 115.32 29.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.85 0.357 . . . . 3.53 110.366 -178.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.526 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 38.7 t -116.0 125.6 73.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.897 -0.592 . . . . 2.78 110.148 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -145.7 165.48 28.63 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.205 -0.294 . . . . 4.85 110.205 176.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.511 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 95.5 mtt180 -106.24 136.54 45.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.229 -0.442 . . . . 5.38 111.284 -177.294 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -110.66 145.17 38.41 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.715 -0.675 . . . . 5.18 109.8 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -119.0 154.44 33.07 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.251 -0.277 . . . . 2.96 110.251 -178.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -121.41 127.52 51.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.207 -0.452 . . . . 1.28 110.711 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -84.86 103.27 13.78 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.228 0.537 . . . . 4.41 110.327 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.442 ' OE2' HG23 ' A' ' 22' ' ' VAL . 27.0 mt-10 -107.92 113.45 26.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.259 -0.428 . . . . 1.49 110.31 179.086 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 36.5 m -97.22 103.42 15.35 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.071 -0.513 . . . . 1.56 109.624 176.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -103.05 154.27 19.43 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.677 -0.692 . . . . 2.93 110.828 -174.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.49 ' SG ' HG21 ' A' ' 82' ' ' THR . 79.5 m -80.96 110.49 16.55 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.643 -0.708 . . . . 1.77 110.9 -179.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.404 ' HD2' ' HB ' ' A' ' 18' ' ' VAL . 17.1 ptm180 -99.32 17.13 20.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.518 0.675 . . . . 3.84 109.371 174.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -167.21 173.2 9.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.653 -1.158 . . . . 2.96 108.81 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.602 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 29.7 t -148.74 -31.5 0.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.135 0.493 . . . . 3.02 110.618 177.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -140.27 76.85 25.61 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 108.818 -0.808 . . . . 2.59 108.818 176.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.15 -42.57 52.89 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.485 2.79 . . . . 2.81 113.682 -171.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.1 m -84.08 -55.37 7.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 112.142 0.423 . . . . 2.53 112.142 -176.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.555 ' HG3' ' H ' ' A' ' 66' ' ' SER . 7.2 pt-20 -168.8 -68.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.79 -0.187 . . . . 4.19 111.418 -177.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.555 ' H ' ' HG3' ' A' ' 65' ' ' GLU . 15.6 m -123.26 -9.7 8.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.832 0.349 . . . . 4.07 111.451 -176.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -136.67 -170.37 11.93 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.765 -0.731 . . . . 2.7 111.901 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 85.0 m -101.85 71.47 1.3 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.933 0.397 . . . . 1.76 111.394 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 70.93 -72.78 0.11 Allowed 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.182 -0.917 . . . . 4.4 112.254 171.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.24 -17.31 32.2 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.514 -0.85 . . . . 1.61 112.83 -176.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.521 HG23 ' OG ' ' A' ' 78' ' ' SER . 44.5 mm -65.52 124.83 21.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.894 0.347 . . . . 2.04 111.215 -176.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -68.53 106.13 2.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.005 -0.543 . . . . 3.32 109.86 174.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.3 p -70.26 -12.53 61.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.882 -0.599 . . . . 4.99 112.024 -174.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -80.74 -32.4 35.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.896 0.379 . . . . 3.32 110.628 -178.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -99.16 -30.43 12.29 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.377 -0.374 . . . . 4.16 110.928 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -126.96 140.04 52.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.228 0.537 . . . . 3.71 111.896 -176.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.509 ' HB3' ' HB3' ' A' ' 113' ' ' SER . 4.3 t-20 -93.89 134.47 36.22 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.938 -1.134 . . . . 3.0 107.938 169.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.521 ' OG ' HG23 ' A' ' 71' ' ' ILE . 16.6 m -127.09 138.94 53.29 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.104 0.478 . . . . 2.16 111.588 -176.355 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -153.43 141.95 20.79 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.364 -0.835 . . . . 4.07 109.648 172.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.79 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 79.9 m -81.84 123.05 28.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.599 -0.728 . . . . 1.67 110.783 -176.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.3 m -128.74 137.94 51.84 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.781 -0.645 . . . . 2.49 109.55 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.49 HG21 ' SG ' ' A' ' 58' ' ' CYS . 12.4 p -84.19 122.34 28.72 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 121.025 0.441 . . . . 3.09 111.45 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.0 m -76.52 134.37 39.48 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 108.96 -0.756 . . . . 3.17 108.96 174.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.475 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 72.6 m80 -106.27 122.15 45.65 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.763 0.316 . . . . 4.4 110.602 -176.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.704 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 3.3 t -109.09 162.16 14.51 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.598 -0.519 . . . . 1.61 109.598 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.469 ' CE1' ' HA ' ' A' ' 31' ' ' ILE . 77.5 m-85 -103.76 117.28 34.0 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.061 -0.348 . . . . 2.52 110.061 -178.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 20.6 m -109.22 138.62 35.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.315 0.578 . . . . 1.59 111.484 -176.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 17.2 pttp -69.41 103.01 1.9 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.992 -1.004 . . . . 4.22 110.914 178.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.32 138.98 50.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.331 -0.849 . . . . 1.57 111.213 -178.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.8 tp -73.8 107.48 6.07 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.992 -0.744 . . . . 1.87 108.992 173.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.464 HG23 ' HA ' ' A' ' 38' ' ' VAL . 77.0 p -131.14 162.8 29.1 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.121 -0.49 . . . . 1.44 109.781 -177.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.471 HG22 ' HB ' ' A' ' 37' ' ' THR . 4.6 t -117.33 120.5 38.38 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.232 0.539 . . . . 1.63 110.383 179.086 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -77.84 -9.73 59.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.837 -0.619 . . . . 2.47 110.639 178.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -162.26 -78.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.08 -0.509 . . . . 3.09 109.882 177.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -143.05 26.79 1.66 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.084 0.469 . . . . 3.75 110.326 178.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -133.02 117.56 17.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.705 -0.68 . . . . 3.02 109.733 -178.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.72 113.5 15.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.905 0.383 . . . . 1.8 110.865 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -130.82 146.58 52.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.124 -0.489 . . . . 1.79 110.353 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -76.49 101.81 5.77 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.097 0.475 . . . . 2.88 109.864 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.417 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 39.2 mmt180 -105.41 177.57 4.81 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.554 -0.748 . . . . 3.92 110.05 -177.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.429 ' HB3' ' HB3' ' A' ' 86' ' ' PHE . 74.6 m-85 -119.5 107.67 13.59 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.687 -0.857 . . . . 2.74 108.687 174.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 35.3 pt -111.56 143.37 21.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.983 0.421 . . . . 1.33 111.246 -171.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.704 ' HA ' ' O ' ' A' ' 85' ' ' THR . 20.4 ptp180 -82.81 125.02 30.84 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.723 -0.671 . . . . 4.27 111.229 -174.115 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' A' ' 84' ' ' HIS . 46.2 pt -126.96 154.97 37.66 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 CA-C-N 115.698 -0.683 . . . . 1.36 110.663 177.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -67.18 105.14 1.62 Allowed 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.615 -0.72 . . . . 1.69 109.263 175.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.2 m -90.97 -48.44 6.99 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.164 -0.471 . . . . 2.66 111.446 -171.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.434 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -148.13 147.56 29.63 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.075 -0.511 . . . . 1.64 110.38 -178.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.79 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 40.4 t -102.14 109.62 21.36 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.131 -0.692 . . . . 1.59 109.131 177.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.3 m -113.84 143.7 22.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.146 -0.479 . . . . 1.52 111.545 -172.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.64 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 88.5 m -80.03 104.45 10.61 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.894 -0.593 . . . . 1.45 109.492 172.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 32.0 m -89.33 147.29 5.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.533 -0.543 . . . . 2.0 109.533 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.7 mt -102.02 138.94 38.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.428 0.632 . . . . 1.86 110.911 -175.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.509 ' HB3' ' HB3' ' A' ' 77' ' ' ASN . 15.1 t -128.32 153.5 46.94 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.262 -0.881 . . . . 3.01 109.641 177.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.5 . . . . 7.46 111.831 -175.139 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 120.998 0.428 . . . . 4.01 110.167 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 34.5 t -90.31 156.58 18.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.502 -0.772 . . . . 2.58 110.255 -178.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 29.3 m -75.59 -17.55 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.486 -0.779 . . . . 1.81 111.126 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.645 ' HB2' ' SG ' ' B' ' 110' ' ' CYS . 42.0 t -133.57 152.13 51.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.928 -0.578 . . . . 1.75 109.92 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -94.73 115.7 27.84 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.735 -0.469 . . . . 2.87 109.735 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' SER . . . . . 0.481 ' OG ' ' HB3' ' B' ' 108' ' ' CYS . 17.6 m -122.31 161.3 23.62 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.091 -0.504 . . . . 1.91 111.164 -173.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 p -126.62 116.09 43.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.308 -0.405 . . . . 1.88 110.693 175.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.409 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 51.1 m -94.73 121.18 36.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.115 0.483 . . . . 1.95 110.328 177.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 48.2 t -119.28 138.01 51.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.994 -0.548 . . . . 1.55 110.408 -177.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -95.22 95.93 8.85 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.892 -0.781 . . . . 1.86 108.892 173.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.433 HG23 ' OE2' ' B' ' 55' ' ' GLU . 90.2 t -88.81 122.64 40.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.168 -0.924 . . . . 1.41 111.354 -173.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.83 24.55 7.89 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 110.926 -0.87 . . . . 1.36 110.926 173.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -129.86 14.8 5.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.783 -0.208 . . . . 3.01 111.551 -178.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.43 ' HZ3' ' CD ' ' B' ' 55' ' ' GLU . 24.6 ttmm -69.53 127.42 32.94 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.761 -0.459 . . . . 1.64 109.761 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 10.8 t -103.17 -30.69 10.54 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.803 0.297 . . . . 2.11 111.803 -175.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.4 p -139.12 142.57 38.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.039 0.447 . . . . 1.53 111.568 -178.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -145.29 167.69 22.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.743 -0.662 . . . . 1.29 110.058 177.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 18.7 m -108.84 118.7 37.46 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.818 0.342 . . . . 1.52 110.749 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -66.74 165.51 14.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.593 -0.73 . . . . 1.84 110.72 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.468 ' HA ' ' CE1' ' B' ' 86' ' ' PHE . 14.3 tt -59.07 -29.68 41.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.875 0.369 . . . . 1.74 111.408 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -77.15 -11.52 59.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.096 0.474 . . . . 2.65 110.823 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.13 18.37 29.29 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.886 -0.673 . . . . 1.25 112.233 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -95.57 138.69 32.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.682 0.277 . . . . 2.58 110.674 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -82.2 115.61 21.37 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.612 -0.514 . . . . 2.19 109.612 175.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 35.0 m -116.01 152.5 17.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 121.041 0.448 . . . . 1.48 110.804 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' THR . . . . . 0.461 ' HB ' HG22 ' B' ' 92' ' ' THR . 31.1 m -88.71 121.78 31.44 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.62 -0.718 . . . . 1.5 109.306 176.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.469 ' HA ' HG23 ' B' ' 91' ' ' THR . 99.0 t -81.31 130.15 36.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 115.79 -0.641 . . . . 1.55 110.984 -175.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 77.3 mt -99.88 94.49 6.34 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.45 -0.574 . . . . 1.91 109.45 178.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.515 ' O ' ' HA ' ' B' ' 50' ' ' ARG . . . -60.7 -35.3 75.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.323 0.583 . . . . 2.34 109.637 178.165 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.42 ' HG2' ' HG2' ' B' ' 50' ' ' ARG . 24.0 mt-10 -106.46 115.45 30.23 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.0 -1.0 . . . . 3.59 108.792 175.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.52 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 22.6 m -99.79 140.4 19.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.834 0.349 . . . . 2.85 110.972 -175.214 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -112.46 99.29 7.87 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.092 -0.504 . . . . 3.25 109.971 178.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 55.3 mt -105.25 87.21 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.671 -0.492 . . . . 2.98 109.671 178.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 66.82 -78.01 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.654 -0.703 . . . . 3.91 110.956 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -133.36 1.26 3.44 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.429 -0.351 . . . . 5.31 110.641 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 16.0 m -107.44 115.35 30.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.953 0.406 . . . . 3.54 110.331 -177.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . 0.52 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 38.4 t -116.23 125.35 73.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.889 -0.596 . . . . 2.78 110.137 -179.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -145.62 165.19 29.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.709 0.29 . . . . 4.84 110.238 176.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.515 ' HA ' ' O ' ' B' ' 40' ' ' ALA . 95.4 mtt180 -105.84 136.73 44.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.103 -0.499 . . . . 5.38 111.237 -177.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -110.7 145.25 38.34 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.804 -0.634 . . . . 5.18 109.799 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -119.19 154.26 33.63 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.356 -0.239 . . . . 2.96 110.356 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -121.27 127.59 51.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.281 -0.418 . . . . 1.28 110.804 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -84.89 103.23 13.76 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.216 0.531 . . . . 4.41 110.348 178.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . 0.433 ' OE2' HG23 ' B' ' 22' ' ' VAL . 26.8 mt-10 -108.02 113.35 26.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.179 -0.464 . . . . 1.49 110.301 179.137 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' B' ' 19' ' ' SER . 37.9 m -97.07 103.49 15.43 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.554 -0.536 . . . . 1.57 109.554 176.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -103.21 154.13 19.65 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.849 -0.614 . . . . 2.93 110.791 -174.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' CYS . . . . . 0.493 ' SG ' HG21 ' B' ' 82' ' ' THR . 79.8 m -80.7 110.81 16.56 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.684 -0.689 . . . . 1.77 110.828 -179.18 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -99.77 17.2 21.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.535 0.684 . . . . 3.85 109.168 174.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -167.14 173.36 9.17 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.722 -1.126 . . . . 2.96 108.766 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' SER . . . . . 0.607 ' HA ' ' SG ' ' B' ' 80' ' ' CYS . 29.1 t -149.08 -31.44 0.24 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.011 0.434 . . . . 3.01 110.468 178.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -140.66 76.71 23.65 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 108.857 -0.794 . . . . 2.59 108.857 177.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -51.48 -42.21 56.48 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.48 2.786 . . . . 2.81 113.685 -171.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 5.1 m -83.88 -56.29 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 C-N-CA 120.707 -0.397 . . . . 2.53 111.842 -176.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . 0.567 ' HG3' ' H ' ' B' ' 66' ' ' SER . 7.3 pt-20 -168.4 -67.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.72 0.267 . . . . 4.2 111.72 -177.228 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' SER . . . . . 0.567 ' H ' ' HG3' ' B' ' 65' ' ' GLU . 16.7 m -123.96 -9.61 7.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.749 0.309 . . . . 4.07 111.431 -177.079 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -137.05 -170.34 11.88 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.697 -0.763 . . . . 2.7 111.865 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 85.2 m -101.72 71.59 1.32 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.948 0.404 . . . . 1.76 111.385 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 70.79 -72.89 0.1 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.246 -0.888 . . . . 4.4 112.303 171.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.13 -17.35 32.34 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.519 -0.848 . . . . 1.61 112.797 -176.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . 0.519 HG23 ' OG ' ' B' ' 78' ' ' SER . 44.3 mm -65.52 124.98 21.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.788 0.294 . . . . 2.04 111.263 -176.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -68.62 106.26 2.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.866 -0.606 . . . . 3.32 109.913 174.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 18.3 p -70.25 -12.51 61.64 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.843 -0.617 . . . . 4.99 112.085 -174.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -81.05 -32.39 34.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.953 0.406 . . . . 3.33 110.538 -178.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -99.18 -30.51 12.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.332 -0.395 . . . . 4.16 110.836 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . 79.5 m95 -127.03 139.95 52.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.271 0.558 . . . . 3.7 111.941 -176.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' ASN . . . . . 0.51 ' HB3' ' HB3' ' B' ' 113' ' ' SER . 4.2 t-20 -93.74 134.6 35.9 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 107.968 -1.123 . . . . 3.0 107.968 169.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.519 ' OG ' HG23 ' B' ' 71' ' ' ILE . 16.1 m -127.23 138.87 53.2 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.147 0.499 . . . . 2.16 111.439 -176.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -153.35 141.95 20.86 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.364 -0.835 . . . . 4.07 109.61 172.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . 0.801 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 79.3 m -81.81 123.11 28.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.673 -0.694 . . . . 1.67 110.613 -176.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 31.4 m -129.01 137.99 51.67 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.716 -0.674 . . . . 2.49 109.591 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.493 HG21 ' SG ' ' B' ' 58' ' ' CYS . 12.4 p -84.29 122.13 28.47 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.204 0.525 . . . . 3.09 111.425 -179.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 22.4 m -76.46 134.54 39.51 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 108.892 -0.781 . . . . 3.17 108.892 174.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' HIS . . . . . 0.447 ' HA ' ' O ' ' B' ' 104' ' ' ILE . 72.7 m80 -106.35 121.95 45.26 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.684 0.278 . . . . 4.39 110.712 -176.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' THR . . . . . 0.704 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 3.5 t -109.24 162.17 14.55 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.543 -0.54 . . . . 1.61 109.543 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.468 ' CE1' ' HA ' ' B' ' 31' ' ' ILE . 78.2 m-85 -103.93 117.49 34.45 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.865 -0.42 . . . . 2.52 109.865 -178.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 20.2 m -109.3 138.46 36.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.237 0.541 . . . . 1.59 111.473 -176.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 17.2 pttp -69.22 103.22 1.88 Allowed 'General case' 0 C--O 1.238 0.479 0 CA-C-N 114.946 -1.025 . . . . 4.22 110.937 178.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.56 138.91 50.4 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.376 -0.829 . . . . 1.57 111.128 -178.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 24.4 tp -73.81 107.64 6.17 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.045 -0.724 . . . . 1.87 109.045 173.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' THR . . . . . 0.469 HG23 ' HA ' ' B' ' 38' ' ' VAL . 76.8 p -131.33 162.94 28.95 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.154 -0.476 . . . . 1.44 109.834 -177.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' THR . . . . . 0.461 HG22 ' HB ' ' B' ' 37' ' ' THR . 4.9 t -117.52 120.59 38.56 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.267 0.556 . . . . 1.63 110.441 179.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -77.48 -10.44 59.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.79 -0.641 . . . . 2.46 110.595 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -162.06 -78.68 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.959 -0.564 . . . . 3.09 109.928 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -142.89 27.19 1.66 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.241 0.543 . . . . 3.76 110.235 178.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -133.38 116.9 16.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.757 -0.656 . . . . 3.02 109.702 -178.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.29 113.89 15.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.999 0.428 . . . . 1.8 110.751 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -131.21 146.23 52.24 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.99 -0.55 . . . . 1.79 110.506 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -76.06 102.53 5.72 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.188 0.518 . . . . 2.87 109.792 178.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 100' ' ' ARG . . . . . 0.416 ' O ' ' HA ' ' B' ' 88' ' ' LYS . 39.2 mmt180 -106.15 177.39 4.87 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.597 -0.728 . . . . 3.93 109.902 -177.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.431 ' HB3' ' HB3' ' B' ' 86' ' ' PHE . 74.6 m-85 -119.45 107.72 13.67 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.637 -0.875 . . . . 2.75 108.637 174.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 35.7 pt -111.7 143.24 21.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.048 0.452 . . . . 1.33 111.244 -171.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . 0.704 ' HA ' ' O ' ' B' ' 85' ' ' THR . 20.5 ptp180 -82.69 125.33 31.11 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.574 -0.739 . . . . 4.28 111.233 -174.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 104' ' ' ILE . . . . . 0.447 ' O ' ' HA ' ' B' ' 84' ' ' HIS . 45.9 pt -127.3 154.94 38.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 CA-C-N 115.596 -0.729 . . . . 1.36 110.565 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -67.22 105.07 1.61 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.6 -0.727 . . . . 1.69 109.242 175.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 1.1 m -90.91 -48.33 7.07 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.213 -0.449 . . . . 2.65 111.515 -171.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . 0.428 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -148.25 147.44 29.36 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.066 -0.515 . . . . 1.64 110.48 -178.098 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . 0.801 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 40.4 t -101.98 109.56 21.32 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.166 -0.679 . . . . 1.6 109.166 177.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 33.2 m -113.7 143.58 23.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.209 -0.45 . . . . 1.53 111.566 -172.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . 0.645 ' SG ' ' HB2' ' B' ' 15' ' ' CYS . 88.5 m -79.98 104.44 10.55 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.95 -0.568 . . . . 1.45 109.527 172.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 32.5 m -89.32 147.19 5.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.622 -0.51 . . . . 2.0 109.622 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 87.7 mt -101.85 138.96 38.13 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.398 0.618 . . . . 1.86 111.043 -175.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 113' ' ' SER . . . . . 0.51 ' HB3' ' HB3' ' B' ' 77' ' ' ASN . 13.8 t -128.3 153.6 46.82 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.268 -0.878 . . . . 3.01 109.638 177.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.169 -0.469 . . . . 7.45 111.882 -175.296 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.468 ' HB2' ' HB ' ' B' ' 111' ' ' VAL . 63.6 m-85 . . . . . 0 CA--C 1.52 -0.2 0 N-CA-C 109.352 -0.61 . . . . 4.02 109.352 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.4 m -139.49 129.86 25.5 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.773 0.32 . . . . 2.58 111.174 -176.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.3 m -74.71 -18.23 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-O 121.143 0.497 . . . . 1.8 110.618 174.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 68.5 m -127.21 133.09 50.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.342 -0.845 . . . . 1.75 109.585 177.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -67.13 115.63 7.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.763 0.316 . . . . 2.87 110.18 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.5 p -125.49 154.33 42.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.147 0.498 . . . . 1.91 111.778 -174.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.504 ' HB ' ' NE ' ' A' ' 59' ' ' ARG . 3.7 p -122.25 115.69 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.485 -0.78 . . . . 1.88 110.212 179.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 11.2 t -103.04 117.14 33.92 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.668 -0.493 . . . . 1.95 109.668 179.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.2 t -119.46 138.41 50.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.423 -0.353 . . . . 1.55 110.925 -176.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 85.3 m95 -101.77 95.5 6.45 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.36 -0.978 . . . . 1.86 108.36 171.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.6 t -80.4 111.32 16.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.363 -0.835 . . . . 1.41 110.811 -173.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.99 11.7 71.52 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.629 -0.796 . . . . 1.36 112.241 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -156.88 59.68 0.53 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.192 0.52 . . . . 3.02 110.883 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.454 ' HZ3' ' CD ' ' A' ' 55' ' ' GLU . 53.4 tttp -80.69 130.33 35.03 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.891 -0.781 . . . . 1.64 108.891 175.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 t -101.45 -30.78 11.24 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.563 0.579 . . . . 2.12 112.563 -170.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.79 145.79 30.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.827 0.346 . . . . 1.54 111.588 -179.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.81 167.81 27.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.909 -0.587 . . . . 1.29 110.481 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 34' ' ' LYS . 25.5 m -100.05 119.74 38.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.812 -0.631 . . . . 1.53 110.527 178.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.437 ' CG ' HH21 ' A' ' 100' ' ' ARG . 17.8 t70 -69.18 158.64 34.52 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.348 -0.842 . . . . 1.85 110.023 177.452 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.9 tt -61.17 -21.32 24.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-N 116.053 -0.521 . . . . 1.74 111.828 -176.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.461 ' HD2' ' NH2' ' A' ' 100' ' ' ARG . 96.9 mttt -84.79 -5.3 59.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.893 0.377 . . . . 2.65 110.655 178.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.44 27.4 13.24 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.84 -0.695 . . . . 1.25 112.24 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 29' ' ' THR . 75.2 mmtt -102.12 155.35 18.25 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.739 0.304 . . . . 2.58 110.549 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -102.44 115.62 30.93 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.925 -0.769 . . . . 2.19 108.925 174.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.2 m -124.98 151.34 30.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.132 0.492 . . . . 1.48 111.65 -174.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.407 ' HB ' ' CG2' ' A' ' 92' ' ' THR . 46.4 m -81.61 119.79 24.25 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.239 -0.891 . . . . 1.5 109.704 177.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.473 ' HA ' HG21 ' A' ' 91' ' ' THR . 54.3 t -86.24 136.19 23.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 116.223 -0.444 . . . . 1.55 110.772 -175.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.1 mt -109.12 107.82 18.26 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.135 -0.691 . . . . 1.91 109.135 175.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.6 -25.83 65.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.493 0.663 . . . . 2.35 110.123 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.45 ' HG2' ' HB3' ' A' ' 50' ' ' ARG . 30.5 mt-10 -106.81 114.69 28.94 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 114.993 -1.003 . . . . 3.59 108.424 174.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 49' ' ' PHE . 19.5 m -90.68 123.3 42.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.225 0.536 . . . . 2.85 110.395 -176.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -93.55 107.09 18.99 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.576 0.703 . . . . 3.25 109.793 178.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 59.5 mt -103.42 76.59 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.283 -0.636 . . . . 2.98 109.283 177.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.407 HD21 ' N ' ' A' ' 45' ' ' ASN . 0.9 OUTLIER 65.28 -81.86 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.044 -0.98 . . . . 3.91 111.293 -179.74 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -125.27 29.54 6.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.821 0.344 . . . . 5.31 110.836 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.7 m -147.04 115.34 6.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.801 0.334 . . . . 3.53 110.434 178.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.1 t -102.03 121.39 52.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.239 -0.437 . . . . 2.78 110.765 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.409 ' O ' HG22 ' A' ' 42' ' ' VAL . 78.2 m-85 -120.28 126.88 51.68 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.009 -0.542 . . . . 4.85 110.001 178.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.45 ' HB3' ' HG2' ' A' ' 41' ' ' GLU . 8.4 ptp180 -104.13 141.51 36.1 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.885 0.374 . . . . 5.38 110.821 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -133.66 174.35 10.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.98 -0.554 . . . . 5.18 109.817 177.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -121.04 136.23 55.03 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.132 -0.692 . . . . 2.96 109.132 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -94.82 121.58 36.56 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.781 0.324 . . . . 1.28 110.6 -177.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -83.93 107.07 16.08 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.473 0.654 . . . . 4.41 110.934 -177.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.454 ' CD ' ' HZ3' ' A' ' 25' ' ' LYS . 21.2 mt-10 -115.26 112.24 22.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.724 -0.671 . . . . 1.49 109.683 177.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 19' ' ' SER . 24.6 m -105.66 104.61 14.37 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.228 0.537 . . . . 1.56 110.079 178.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -102.52 169.84 8.41 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.66 -0.7 . . . . 2.93 109.565 -176.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.7 t -108.52 112.35 24.68 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.982 0.42 . . . . 1.77 110.264 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.504 ' NE ' ' HB ' ' A' ' 18' ' ' VAL . 88.5 mtt180 -68.35 -38.55 81.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.687 -0.688 . . . . 3.84 110.396 -179.636 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -121.54 105.5 10.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.924 -0.58 . . . . 2.96 110.521 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.41 ' HA ' ' HB2' ' A' ' 80' ' ' CYS . 6.1 p -71.8 -28.39 63.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.969 -0.56 . . . . 3.02 110.23 178.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -139.0 74.39 37.12 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.434 -0.803 . . . . 2.59 109.754 176.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -55.9 -36.13 95.14 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.486 2.124 . . . . 2.81 112.489 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.4 m -119.09 162.02 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.538 -0.542 . . . . 2.53 109.538 176.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -76.6 51.43 0.74 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.309 0.576 . . . . 4.19 111.147 -177.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.9 m -161.11 -26.56 0.06 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.19 -0.914 . . . . 4.07 109.165 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.479 ' HA3' ' HB3' ' A' ' 78' ' ' SER . . . 138.42 -115.23 1.14 Allowed Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 110.875 -0.89 . . . . 2.7 110.875 -177.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.411 ' SG ' HG12 ' A' ' 71' ' ' ILE . 13.9 p -90.56 149.29 22.21 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.294 -0.632 . . . . 1.76 109.294 176.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -66.86 118.37 10.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.409 -0.36 . . . . 4.4 111.647 -173.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.33 -28.19 4.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.639 -0.791 . . . . 1.61 112.613 176.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.411 HG12 ' SG ' ' A' ' 68' ' ' CYS . 48.5 mm -70.53 143.02 15.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.852 0.358 . . . . 2.04 111.623 -176.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -74.59 122.29 22.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.073 -0.512 . . . . 3.32 110.344 176.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.1 m -70.25 -19.72 63.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.728 -0.669 . . . . 4.99 112.547 -173.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -89.25 -43.32 11.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.629 0.252 . . . . 3.32 111.398 -174.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -89.15 -26.95 21.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.534 -0.303 . . . . 4.16 111.782 -176.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -133.19 154.93 50.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.485 0.66 . . . . 3.71 111.528 -175.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -122.1 134.32 54.76 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 107.843 -1.169 . . . . 3.0 107.843 168.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.479 ' HB3' ' HA3' ' A' ' 67' ' ' GLY . 16.1 t -121.04 158.63 27.39 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.139 0.495 . . . . 2.16 111.656 -170.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.539 ' O ' HG23 ' A' ' 111' ' ' VAL . 74.9 t80 -155.35 136.62 13.97 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.981 -0.748 . . . . 4.07 108.981 177.334 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.814 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 61.4 m -91.18 111.39 22.85 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.972 0.415 . . . . 1.67 110.073 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.6 m -114.08 134.83 54.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.934 -0.576 . . . . 2.49 111.037 -173.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.62 122.05 27.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.014 0.435 . . . . 3.09 111.638 176.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.3 p -78.59 157.27 28.78 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.945 -0.571 . . . . 3.17 109.711 173.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -131.16 134.3 46.39 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.943 0.402 . . . . 4.4 110.767 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.672 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 13.7 t -121.78 168.23 12.07 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.686 -0.487 . . . . 1.61 109.686 -179.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.449 ' CE1' ' HB3' ' A' ' 103' ' ' ARG . 95.7 m-85 -115.16 117.63 31.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.891 0.377 . . . . 2.52 110.633 -175.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.2 m -111.88 145.34 18.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.003 -0.544 . . . . 1.59 110.902 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 88' ' ' LYS . 11.4 pttm -79.12 111.82 15.71 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.489 0.661 . . . . 4.22 110.677 177.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.96 149.53 50.77 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.537 -0.756 . . . . 1.57 110.197 177.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.9 tp -76.49 108.38 9.43 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.391 -0.966 . . . . 1.87 108.391 174.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.473 HG21 ' HA ' ' A' ' 38' ' ' VAL . 61.5 p -125.55 159.29 32.44 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.506 -0.316 . . . . 1.44 110.211 -175.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.407 ' CG2' ' HB ' ' A' ' 37' ' ' THR . 9.8 t -125.87 126.31 44.24 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.181 0.515 . . . . 1.63 110.305 177.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -79.6 -17.85 52.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.865 -0.607 . . . . 2.47 110.757 179.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -164.91 -57.94 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.518 -0.31 . . . . 3.09 111.587 173.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -127.99 -51.9 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 122.155 -0.34 . . . . 3.75 111.747 -176.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -77.67 134.9 38.05 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.458 -0.337 . . . . 3.02 110.908 -177.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -92.32 129.88 38.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.499 -0.319 . . . . 1.8 110.177 176.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.08 153.25 42.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.818 0.342 . . . . 1.79 110.994 -177.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -75.32 110.12 9.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.171 -0.468 . . . . 2.88 110.289 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.461 ' NH2' ' HD2' ' A' ' 32' ' ' LYS . 11.7 mmm180 -123.74 156.57 35.76 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.055 -0.52 . . . . 3.92 110.257 -177.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -94.53 114.29 26.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.011 -0.54 . . . . 2.74 109.717 176.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.415 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 36.7 pt -113.6 147.2 17.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.79 0.329 . . . . 1.33 110.769 -176.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.672 ' HA ' ' O ' ' A' ' 85' ' ' THR . 39.8 ptt180 -87.77 129.95 35.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.334 0.587 . . . . 4.27 111.264 -176.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 30.0 pt -129.68 154.71 40.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.339 -0.846 . . . . 1.36 109.991 176.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -65.88 123.7 20.5 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 121.102 0.477 . . . . 1.69 110.049 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.418 HG21 HG21 ' B' ' 106' ' ' THR . 2.0 m -94.16 -56.48 2.83 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.624 -0.717 . . . . 2.66 111.154 -172.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -163.38 157.94 20.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.234 -0.439 . . . . 1.64 110.485 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.814 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 50.8 t -96.3 119.31 34.55 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.763 -0.458 . . . . 1.59 109.763 177.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 80' ' ' CYS . 19.2 m -108.08 152.07 10.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.024 -0.535 . . . . 1.52 110.889 -175.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 36.6 t -95.04 110.4 22.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.068 -0.515 . . . . 1.45 109.643 176.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 79' ' ' TYR . 15.8 m -93.94 153.49 3.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.553 -0.294 . . . . 2.0 110.218 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.7 mt -127.61 139.21 52.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.314 0.578 . . . . 1.86 111.614 -178.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.1 p -127.03 142.78 51.46 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.12 -0.946 . . . . 3.01 108.467 172.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 7.9 ppt_? . . . . . 0 C--N 1.327 -0.388 0 N-CA-C 111.946 0.351 . . . . 7.46 111.946 -172.916 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . 0.456 ' HB2' ' HB ' ' A' ' 111' ' ' VAL . 63.4 m-85 . . . . . 0 CA--C 1.52 -0.18 0 N-CA-C 109.393 -0.595 . . . . 4.01 109.393 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 44.1 m -139.89 129.7 24.63 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.762 0.315 . . . . 2.58 111.048 -176.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.1 m -74.64 -18.23 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 121.152 0.501 . . . . 1.81 110.545 174.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 68.7 m -127.24 132.98 50.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.406 -0.816 . . . . 1.75 109.626 177.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -66.98 115.69 6.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.858 0.361 . . . . 2.87 110.182 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.6 p -125.43 154.5 41.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.123 0.487 . . . . 1.91 111.742 -174.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.495 ' HB ' ' NE ' ' B' ' 59' ' ' ARG . 3.7 p -122.41 115.86 47.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.518 -0.765 . . . . 1.88 110.174 179.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 11.7 t -103.33 116.69 32.92 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.715 -0.476 . . . . 1.95 109.715 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 58.3 t -119.24 138.33 50.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.293 -0.412 . . . . 1.55 110.912 -176.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -101.79 95.18 6.24 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.569 -0.9 . . . . 1.86 108.569 171.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 44.1 t -80.13 111.14 16.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.271 -0.877 . . . . 1.41 110.678 -173.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.31 10.64 73.87 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.693 -0.765 . . . . 1.36 112.346 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -156.19 59.79 0.58 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.191 0.519 . . . . 3.01 110.727 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.467 ' HZ3' ' CD ' ' B' ' 55' ' ' GLU . 53.3 tttp -81.02 129.99 34.8 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.888 -0.782 . . . . 1.64 108.888 175.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -100.97 -30.67 11.51 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.674 0.62 . . . . 2.11 112.674 -170.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -146.12 145.8 30.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.836 0.35 . . . . 1.53 111.503 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.76 167.52 27.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.896 -0.593 . . . . 1.29 110.611 177.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' B' ' 34' ' ' LYS . 27.3 m -99.68 119.72 38.56 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.974 -0.557 . . . . 1.52 110.606 178.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . 0.431 ' CG ' HH21 ' B' ' 100' ' ' ARG . 17.7 t70 -69.06 158.81 34.07 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.375 -0.829 . . . . 1.84 110.038 177.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.8 tt -61.44 -20.89 23.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 116.089 -0.505 . . . . 1.74 111.946 -176.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.468 ' HD2' ' NH2' ' B' ' 100' ' ' ARG . 97.0 mttt -85.09 -5.28 59.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.922 0.391 . . . . 2.65 110.795 178.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.38 27.66 12.89 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.95 -0.643 . . . . 1.25 112.198 178.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' B' ' 29' ' ' THR . 75.3 mmtt -102.57 154.76 18.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.666 0.269 . . . . 2.58 110.568 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -101.62 116.31 32.46 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.845 -0.798 . . . . 2.19 108.845 174.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 24.8 m -125.39 151.48 31.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.198 0.523 . . . . 1.48 111.512 -174.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' THR . . . . . 0.423 ' HB ' ' CG2' ' B' ' 92' ' ' THR . 41.7 m -81.87 119.79 24.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.221 -0.899 . . . . 1.5 109.636 176.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.48 ' HA ' HG21 ' B' ' 91' ' ' THR . 54.5 t -86.22 136.55 22.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 116.224 -0.444 . . . . 1.55 110.689 -175.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 56.9 mt -109.39 108.09 18.5 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.225 -0.657 . . . . 1.91 109.225 175.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.95 -25.94 65.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.36 0.6 . . . . 2.34 110.056 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.438 ' HG2' ' HB3' ' B' ' 50' ' ' ARG . 30.4 mt-10 -106.74 114.59 28.78 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 114.909 -1.041 . . . . 3.59 108.685 173.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.404 HG22 ' O ' ' B' ' 49' ' ' PHE . 19.4 m -90.63 123.29 42.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.334 0.588 . . . . 2.85 110.304 -176.305 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -93.59 107.41 19.27 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.481 0.658 . . . . 3.25 109.81 178.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 59.7 mt -103.62 76.59 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.437 -0.579 . . . . 2.98 109.437 177.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 65.4 -82.23 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 114.941 -1.027 . . . . 3.91 111.084 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -124.82 29.57 6.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.707 0.289 . . . . 5.31 110.993 -178.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 22.0 m -147.06 115.38 6.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.796 0.332 . . . . 3.54 110.36 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 61.3 t -101.99 121.71 53.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.979 0.419 . . . . 2.78 110.75 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . 0.404 ' O ' HG22 ' B' ' 42' ' ' VAL . 78.4 m-85 -120.45 126.72 51.14 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.985 -0.552 . . . . 4.84 110.048 178.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.438 ' HB3' ' HG2' ' B' ' 41' ' ' GLU . 8.5 ptp180 -104.13 141.0 37.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.912 0.387 . . . . 5.38 110.918 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 -133.09 174.36 10.45 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.975 -0.557 . . . . 5.18 109.784 177.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -120.98 136.26 55.02 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.22 -0.659 . . . . 2.96 109.22 178.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -94.9 121.59 36.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.724 0.297 . . . . 1.28 110.573 -177.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -83.97 107.1 16.14 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.392 0.615 . . . . 4.41 110.985 -177.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . 0.467 ' CD ' ' HZ3' ' B' ' 25' ' ' LYS . 21.7 mt-10 -115.35 112.33 22.2 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.775 -0.648 . . . . 1.49 109.621 177.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 24.5 m -105.59 104.59 14.34 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.262 0.554 . . . . 1.57 110.097 178.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -102.54 169.99 8.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.657 -0.702 . . . . 2.93 109.657 -176.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 1.8 t -108.86 111.97 23.98 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.061 0.458 . . . . 1.77 110.249 -178.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . 0.495 ' NE ' ' HB ' ' B' ' 18' ' ' VAL . 88.7 mtt180 -68.05 -38.76 82.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.591 -0.732 . . . . 3.85 110.408 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -121.42 105.37 10.44 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.047 -0.524 . . . . 2.96 110.524 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' SER . . . . . 0.409 ' HA ' ' HB2' ' B' ' 80' ' ' CYS . 5.4 p -71.67 -28.25 63.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.024 -0.534 . . . . 3.01 110.352 178.266 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -139.15 74.7 35.72 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.517 -0.765 . . . . 2.59 109.526 176.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -55.94 -36.41 95.71 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.623 2.216 . . . . 2.81 112.338 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 35.7 m -119.02 162.2 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.688 -0.486 . . . . 2.53 109.688 176.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -76.93 51.25 0.78 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.351 0.596 . . . . 4.2 110.99 -177.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 19.6 m -160.88 -26.43 0.06 Allowed 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.191 -0.913 . . . . 4.07 109.183 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.47 ' HA3' ' HB3' ' B' ' 78' ' ' SER . . . 138.17 -115.36 1.17 Allowed Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.892 -0.883 . . . . 2.7 110.892 -177.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.427 ' SG ' HG12 ' B' ' 71' ' ' ILE . 14.1 p -90.66 149.59 22.02 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.158 -0.682 . . . . 1.76 109.158 176.081 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -67.14 118.42 10.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.286 -0.415 . . . . 4.4 111.539 -173.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.17 -28.23 4.12 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 1.61 112.619 176.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . 0.427 HG12 ' SG ' ' B' ' 68' ' ' CYS . 48.3 mm -70.47 142.53 15.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.752 0.31 . . . . 2.04 111.673 -176.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -74.18 122.33 22.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.067 -0.515 . . . . 3.32 110.399 176.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 3.1 m -70.12 -20.16 63.19 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.71 -0.677 . . . . 4.99 112.37 -173.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -89.16 -43.11 11.27 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 121.141 -0.224 . . . . 3.33 111.378 -174.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -89.21 -27.15 20.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.55 -0.296 . . . . 4.16 111.615 -176.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -133.17 154.78 50.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.462 0.649 . . . . 3.7 111.47 -174.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -121.93 134.32 54.84 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.92 -1.141 . . . . 3.0 107.92 168.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.47 ' HB3' ' HA3' ' B' ' 67' ' ' GLY . 16.5 t -121.11 158.74 27.24 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.277 0.561 . . . . 2.16 111.623 -170.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . 0.532 ' O ' HG23 ' B' ' 111' ' ' VAL . 73.7 t80 -155.47 136.52 13.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.343 -0.844 . . . . 4.07 109.153 177.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . 0.816 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 61.4 m -91.29 110.93 22.23 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.014 0.435 . . . . 1.67 110.11 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 24.2 m -113.56 135.16 54.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.873 -0.603 . . . . 2.49 111.065 -173.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.63 122.06 27.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.022 0.439 . . . . 3.09 111.834 176.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 11.3 p -78.51 157.36 28.88 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.913 -0.585 . . . . 3.17 109.727 173.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -131.48 134.47 46.19 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.892 0.377 . . . . 4.39 110.737 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' THR . . . . . 0.669 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 13.5 t -121.94 168.2 12.17 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.999 -0.546 . . . . 1.61 109.746 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.454 ' CE1' ' HB3' ' B' ' 103' ' ' ARG . 95.7 m-85 -115.16 117.62 31.03 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.878 0.371 . . . . 2.52 110.732 -175.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 19.2 m -111.83 145.22 18.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.977 -0.556 . . . . 1.59 110.964 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' B' ' 88' ' ' LYS . 11.4 pttm -79.03 111.76 15.56 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.552 0.691 . . . . 4.22 110.706 177.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.03 149.53 50.81 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.523 -0.762 . . . . 1.57 110.053 177.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 18.8 tp -76.49 108.45 9.47 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.362 -0.977 . . . . 1.87 108.362 174.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' THR . . . . . 0.48 HG21 ' HA ' ' B' ' 38' ' ' VAL . 60.3 p -125.57 159.16 32.79 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 116.399 -0.364 . . . . 1.44 110.189 -175.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' THR . . . . . 0.423 ' CG2' ' HB ' ' B' ' 37' ' ' THR . 10.1 t -125.85 125.99 43.75 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-O 121.379 0.609 . . . . 1.63 110.341 177.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -79.3 -17.97 53.56 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.871 -0.604 . . . . 2.46 110.865 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -164.57 -58.54 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.592 -0.276 . . . . 3.09 111.499 173.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -127.59 -51.57 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 122.184 -0.322 . . . . 3.76 111.748 -176.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -77.81 135.18 37.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.62 -0.264 . . . . 3.02 110.763 -177.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -92.71 129.78 38.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.439 -0.346 . . . . 1.8 110.069 176.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.17 152.99 42.4 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.438 -0.346 . . . . 1.79 110.976 -176.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -75.07 109.85 8.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.196 -0.457 . . . . 2.87 110.422 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 100' ' ' ARG . . . . . 0.468 ' NH2' ' HD2' ' B' ' 32' ' ' LYS . 11.6 mmm180 -123.62 156.29 36.09 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.913 -0.585 . . . . 3.93 110.307 -177.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.406 ' HB3' ' HB3' ' B' ' 86' ' ' PHE . 93.0 m-85 -94.23 114.28 26.35 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.997 -0.547 . . . . 2.75 109.76 176.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 102' ' ' ILE . . . . . 0.427 ' O ' ' HA ' ' B' ' 86' ' ' PHE . 36.3 pt -113.57 147.32 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.745 0.307 . . . . 1.33 110.826 -176.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . 0.669 ' HA ' ' O ' ' B' ' 85' ' ' THR . 39.8 ptt180 -87.99 129.46 35.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.426 0.632 . . . . 4.28 111.449 -176.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 30.5 pt -129.13 154.71 40.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.271 -0.877 . . . . 1.36 110.035 176.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -66.01 123.69 20.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.18 0.514 . . . . 1.69 110.083 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 106' ' ' THR . . . . . 0.418 HG21 HG21 ' A' ' 106' ' ' THR . 2.1 m -94.26 -56.4 2.85 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.695 -0.684 . . . . 2.65 111.138 -172.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -163.27 158.15 21.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.32 -0.4 . . . . 1.64 110.507 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . 0.816 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 51.0 t -96.46 119.26 34.62 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.804 -0.443 . . . . 1.6 109.804 177.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' B' ' 80' ' ' CYS . 19.0 m -108.08 151.96 10.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.988 -0.551 . . . . 1.53 110.9 -175.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 36.3 t -94.98 110.31 22.23 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.96 -0.563 . . . . 1.45 109.613 176.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.532 HG23 ' O ' ' B' ' 79' ' ' TYR . 15.6 m -93.96 153.44 3.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 110.187 -0.301 . . . . 2.0 110.187 179.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 61.3 mt -127.59 139.21 52.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.272 0.558 . . . . 1.86 111.666 -178.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 13.2 p -127.1 142.96 51.39 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.183 -0.917 . . . . 3.01 108.543 171.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 7.8 ppt_? . . . . . 0 C--N 1.328 -0.349 0 N-CA-C 112.133 0.42 . . . . 7.45 112.133 -173.113 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 . . . . . 0 CA--C 1.52 -0.209 0 CA-C-O 120.969 0.414 . . . . 4.02 111.269 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.2 t -150.58 144.1 25.07 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.753 -0.832 . . . . 2.58 108.753 173.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.634 HG22 ' SG ' ' A' ' 110' ' ' CYS . 15.9 m -88.72 5.83 4.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.112 0.482 . . . . 1.8 111.093 -178.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.524 ' HB2' ' SG ' ' A' ' 110' ' ' CYS . 34.3 t -143.94 152.2 40.78 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.57 -0.741 . . . . 1.75 109.46 176.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.61 114.48 3.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.992 0.425 . . . . 2.87 110.733 -178.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.0 m -126.44 152.03 46.95 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.004 -0.544 . . . . 1.91 110.39 -176.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.498 ' HB ' ' NE ' ' A' ' 59' ' ' ARG . 7.4 p -129.19 120.3 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.427 -0.351 . . . . 1.88 110.43 174.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.405 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 50.0 m -97.82 111.72 23.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.959 0.409 . . . . 1.95 110.286 179.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.3 t -119.45 138.1 51.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.133 -0.485 . . . . 1.55 110.849 -177.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -95.88 95.23 8.11 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.592 -0.892 . . . . 1.86 108.592 171.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.9 t -80.29 120.41 31.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.639 -0.709 . . . . 1.41 110.301 -175.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.493 ' HA2' ' O ' ' A' ' 51' ' ' GLN . . . -115.08 17.74 16.88 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.815 -0.707 . . . . 1.36 111.925 179.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -140.31 36.6 1.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 3.02 111.091 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.4 tttp -73.95 129.64 38.28 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.227 -0.657 . . . . 1.64 109.227 178.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.6 p -101.03 -38.19 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.547 0.573 . . . . 2.12 112.547 -172.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.97 139.31 30.6 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.776 0.322 . . . . 1.54 111.136 -178.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.22 163.84 35.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.011 -0.54 . . . . 1.29 110.866 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.3 m -96.49 122.64 39.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.063 -0.517 . . . . 1.53 110.621 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -72.45 165.51 24.45 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.879 -0.6 . . . . 1.85 110.022 176.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.1 tt -59.77 -26.93 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.81 0.338 . . . . 1.74 111.119 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -80.48 -3.59 50.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.426 -0.352 . . . . 2.65 111.025 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.72 10.49 60.18 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.99 -0.624 . . . . 1.25 112.385 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -86.54 137.07 32.81 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.741 0.305 . . . . 2.58 111.283 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -85.04 114.16 21.99 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.742 -0.836 . . . . 2.19 108.742 172.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.0 m -120.6 152.94 23.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 116.199 -0.455 . . . . 1.48 111.156 -176.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.47 ' HB ' ' CG2' ' A' ' 92' ' ' THR . 18.7 m -87.53 114.9 24.57 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.399 -0.819 . . . . 1.5 110.228 -178.129 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.461 ' HA ' HG21 ' A' ' 91' ' ' THR . 53.8 t -81.1 137.23 21.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 116.015 -0.539 . . . . 1.55 110.209 -177.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.5 mt -99.2 113.1 25.18 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.362 -0.607 . . . . 1.91 109.362 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.529 ' O ' ' HA ' ' A' ' 50' ' ' ARG . . . -65.61 -36.36 83.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.307 0.575 . . . . 2.35 109.742 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -114.68 114.59 25.86 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.989 -1.005 . . . . 3.59 108.702 176.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.609 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 34.3 m -104.1 132.11 51.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.988 0.423 . . . . 2.85 111.394 -175.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -95.7 99.17 11.05 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.969 -0.559 . . . . 3.25 109.708 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.6 mt -115.45 100.13 9.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.284 -0.417 . . . . 2.98 110.076 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 57.71 50.32 10.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.419 0.628 . . . . 3.91 110.021 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 63.8 20.77 12.38 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.197 -0.91 . . . . 5.31 111.855 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.4 t -119.11 121.47 39.86 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.801 -0.814 . . . . 3.53 108.801 175.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.609 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 46.8 t -103.48 109.9 28.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.092 0.472 . . . . 2.78 111.313 -175.185 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.415 ' O ' HG23 ' A' ' 42' ' ' VAL . 63.9 m-85 -109.85 149.57 29.66 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.944 -0.571 . . . . 4.85 109.902 175.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.529 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 20.4 ttm180 -97.78 136.81 37.58 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.944 0.402 . . . . 5.38 110.148 177.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.493 ' O ' ' HA2' ' A' ' 23' ' ' GLY . 85.8 mm-40 -85.94 108.75 18.33 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.675 -0.693 . . . . 5.18 111.329 -176.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -93.65 123.49 37.01 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.557 -0.534 . . . . 2.96 109.557 175.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -114.07 124.48 52.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.72 0.295 . . . . 1.28 110.576 178.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.405 ' CE2' ' HB3' ' A' ' 19' ' ' SER . 84.4 t80 -84.57 97.05 9.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.101 -0.5 . . . . 4.41 110.245 -178.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.5 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 39.8 mt-10 -106.31 110.0 22.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.076 -0.511 . . . . 1.49 110.608 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.477 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 52.5 m -96.43 98.45 10.26 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.941 -0.763 . . . . 1.56 108.941 172.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -103.43 153.64 20.28 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.423 -0.808 . . . . 2.93 110.659 -169.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.64 ' SG ' HG21 ' A' ' 82' ' ' THR . 75.6 m -74.8 109.82 8.58 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.091 -0.504 . . . . 1.77 110.573 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.498 ' NE ' ' HB ' ' A' ' 18' ' ' VAL . 66.1 mtt180 -67.75 -50.6 56.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.179 -0.464 . . . . 3.84 110.372 176.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -148.02 96.5 2.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.701 -0.681 . . . . 2.96 110.394 -178.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.1 p -66.48 140.64 58.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.979 -0.555 . . . . 3.02 110.569 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.685 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 14.9 m120 68.31 70.94 0.41 Allowed Pre-proline 0 N--CA 1.465 0.311 0 O-C-N 123.609 0.568 . . . . 2.59 110.905 -178.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -62.55 -27.44 76.63 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.388 2.059 . . . . 2.81 111.692 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.7 m -112.32 163.59 9.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.893 -0.594 . . . . 2.53 109.495 176.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -80.45 58.37 3.14 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.954 0.407 . . . . 4.19 111.357 -175.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.5 p -170.12 -66.56 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.67 -0.695 . . . . 4.07 109.98 179.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.685 ' O ' ' HA ' ' A' ' 62' ' ' ASN . . . -151.78 -84.43 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.859 -0.609 . . . . 2.7 112.138 179.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 74.1 m -140.44 173.4 11.54 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.676 0.274 . . . . 1.76 111.045 -178.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 69' ' ' ARG . 44.2 mtt180 -72.92 136.26 45.19 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.848 -0.427 . . . . 4.4 109.848 -178.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.49 -46.2 3.46 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.822 -0.704 . . . . 1.61 112.028 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.523 HG22 ' H ' ' A' ' 72' ' ' ASP . 9.8 mm -76.14 178.9 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.574 -0.528 . . . . 2.04 109.574 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.523 ' H ' HG22 ' A' ' 71' ' ' ILE . 15.1 m-20 69.26 70.11 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.341 0.591 . . . . 3.32 111.055 173.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.3 m -117.56 -66.85 1.04 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.66 -0.7 . . . . 4.99 110.471 178.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -126.61 -60.99 1.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.076 0.398 . . . . 3.32 112.076 -175.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -113.14 5.58 17.13 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.489 0.552 . . . . 4.16 112.489 -172.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.501 ' O ' ' HA ' ' A' ' 72' ' ' ASP . 74.6 m95 -123.21 137.66 54.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.162 0.506 . . . . 3.71 111.411 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.419 ' HA ' ' OD1' ' A' ' 72' ' ' ASP . 6.4 t30 -124.79 134.89 52.61 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.015 -0.993 . . . . 3.0 108.324 174.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.475 ' OG ' ' HB3' ' A' ' 110' ' ' CYS . 5.9 t -115.84 173.18 6.7 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.227 0.537 . . . . 2.16 111.975 -173.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -170.94 140.16 1.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.315 -0.857 . . . . 4.07 109.484 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.518 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 7.2 m -86.09 119.15 26.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.813 0.339 . . . . 1.67 110.759 -177.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.3 m -133.45 133.33 42.16 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.124 -0.489 . . . . 2.49 109.784 178.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.64 HG21 ' SG ' ' A' ' 58' ' ' CYS . 5.8 p -79.91 120.58 24.32 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.842 0.353 . . . . 3.09 110.613 177.276 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.0 t -76.09 153.49 36.29 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.299 -1.0 . . . . 3.17 108.299 173.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -122.13 130.21 53.03 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.906 0.384 . . . . 4.4 111.161 -172.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.615 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 10.2 t -114.26 158.84 20.86 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.375 -0.602 . . . . 1.61 109.375 177.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -106.63 115.83 30.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.018 0.437 . . . . 2.52 110.054 -178.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.3 m -110.23 139.29 34.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.975 -0.557 . . . . 1.59 111.067 -177.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.504 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 20.6 pttm -68.19 114.44 6.69 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.418 0.628 . . . . 4.22 110.702 178.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.4 142.74 50.73 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.697 -0.683 . . . . 1.57 110.341 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.2 tp -79.93 104.43 10.5 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 108.571 -0.9 . . . . 1.87 108.571 174.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.461 HG21 ' HA ' ' A' ' 38' ' ' VAL . 72.1 p -117.65 152.47 35.13 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.879 -0.6 . . . . 1.44 109.948 -175.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.47 ' CG2' ' HB ' ' A' ' 37' ' ' THR . 10.2 t -96.4 114.21 25.87 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.657 0.742 . . . . 1.63 109.225 177.165 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -63.66 -33.81 76.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 114.871 -1.059 . . . . 2.47 109.878 -177.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -157.4 -63.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.035 -0.984 . . . . 3.09 108.709 173.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -139.8 27.59 2.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.806 -0.634 . . . . 3.75 109.667 173.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -136.72 118.81 15.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.448 -0.797 . . . . 3.02 109.862 -177.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.45 122.34 21.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.84 -0.618 . . . . 1.8 110.363 177.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.02 145.71 33.17 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.227 -0.442 . . . . 1.79 110.459 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -74.88 114.48 13.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.09 0.471 . . . . 2.88 110.881 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.504 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 33.4 mmt180 -114.07 173.29 6.51 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.457 -0.792 . . . . 3.92 109.578 176.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -119.48 107.96 13.96 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.324 -0.991 . . . . 2.74 108.324 176.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 39.7 pt -111.53 143.45 21.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.281 0.562 . . . . 1.33 111.45 -169.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.615 ' HA ' ' O ' ' A' ' 85' ' ' THR . 26.5 ptt180 -77.9 126.24 30.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.142 -0.936 . . . . 4.27 111.247 -176.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 46.3 pt -125.26 148.9 29.68 Favored 'Isoleucine or valine' 0 C--O 1.243 0.758 0 CA-C-N 115.521 -0.763 . . . . 1.36 110.015 173.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.5 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 30.5 m-20 -66.25 110.19 2.94 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.747 -0.66 . . . . 1.69 109.26 176.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -90.98 -42.64 10.44 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.932 -0.576 . . . . 2.66 111.395 -170.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.493 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -158.08 140.25 14.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.262 -0.427 . . . . 1.64 110.86 -178.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.518 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 41.9 t -90.46 98.91 12.06 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.668 -0.864 . . . . 1.59 108.668 176.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 m -101.06 151.72 5.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.124 -0.489 . . . . 1.52 110.96 -172.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.634 ' SG ' HG22 ' A' ' 14' ' ' VAL . 67.1 m -96.46 109.0 21.64 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.755 -0.461 . . . . 1.45 109.755 175.071 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.6 m -71.78 165.06 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.434 -0.803 . . . . 2.0 110.705 -177.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.5 mt -119.64 136.77 54.25 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.079 0.466 . . . . 1.86 109.888 174.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.1 t -131.45 141.34 49.78 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.678 -0.86 . . . . 3.01 108.678 173.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 116.603 -0.271 . . . . 7.46 110.546 -177.823 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 . . . . . 0 CA--C 1.52 -0.202 0 CA-C-O 120.994 0.426 . . . . 4.01 111.237 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 23.6 t -150.34 144.44 25.51 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.776 -0.824 . . . . 2.58 108.776 173.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.631 HG22 ' SG ' ' B' ' 110' ' ' CYS . 15.9 m -88.87 6.03 4.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.085 0.469 . . . . 1.81 111.148 -178.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.529 ' HB2' ' SG ' ' B' ' 110' ' ' CYS . 34.7 t -144.14 152.2 40.58 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.559 -0.746 . . . . 1.75 109.41 176.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.64 114.56 3.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.0 0.428 . . . . 2.87 110.717 -178.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 15.9 m -126.71 151.76 47.71 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.874 -0.603 . . . . 1.91 110.607 -176.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.496 ' HB ' ' NE ' ' B' ' 59' ' ' ARG . 7.3 p -129.15 120.16 50.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.879 0.371 . . . . 1.88 110.401 175.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.4 ' HB3' ' CE2' ' B' ' 54' ' ' PHE . 50.7 m -97.38 111.74 23.87 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.937 0.399 . . . . 1.95 110.26 179.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 55.3 t -119.56 137.79 52.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.158 -0.473 . . . . 1.55 110.779 -177.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -95.62 95.28 8.25 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.773 -0.825 . . . . 1.86 108.773 170.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 48.7 t -80.3 120.5 31.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.551 -0.75 . . . . 1.41 110.267 -175.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' B' ' 51' ' ' GLN . . . -115.04 17.84 16.89 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.755 -0.736 . . . . 1.36 111.996 179.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -140.56 37.26 1.84 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.921 0.391 . . . . 3.01 111.036 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -74.39 129.45 37.79 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.159 -0.682 . . . . 1.64 109.159 178.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 40.0 p -100.74 -38.07 8.45 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.46 0.541 . . . . 2.11 112.46 -172.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.96 139.5 30.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.797 0.332 . . . . 1.53 111.213 -178.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.3 164.09 34.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.115 -0.493 . . . . 1.29 110.951 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 2.4 m -96.82 122.68 40.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.089 -0.505 . . . . 1.52 110.572 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -72.62 165.14 25.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.795 -0.639 . . . . 1.84 109.94 176.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.1 tt -59.68 -26.47 35.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-O 121.001 0.429 . . . . 1.74 111.214 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -80.69 -3.8 52.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.344 -0.389 . . . . 2.65 110.935 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.55 10.72 60.17 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.87 -0.681 . . . . 1.25 112.334 177.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -86.62 137.14 32.72 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.754 0.312 . . . . 2.58 111.221 -178.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -85.15 114.02 21.96 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.901 -0.777 . . . . 2.19 108.901 172.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 16.7 m -120.41 152.6 23.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 120.989 0.423 . . . . 1.48 111.181 -176.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' THR . . . . . 0.459 ' HB ' ' CG2' ' B' ' 92' ' ' THR . 19.3 m -87.0 114.76 23.88 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.409 -0.814 . . . . 1.5 110.182 -178.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.449 ' HA ' HG21 ' B' ' 91' ' ' THR . 54.4 t -80.7 137.71 20.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.922 -0.581 . . . . 1.55 110.122 -177.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 69.3 mt -99.51 113.56 26.03 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.273 -0.64 . . . . 1.91 109.273 177.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.532 ' O ' ' HA ' ' B' ' 50' ' ' ARG . . . -65.71 -36.38 83.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.293 0.568 . . . . 2.34 109.865 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -114.59 114.91 26.34 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.921 -1.036 . . . . 3.59 108.755 176.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.613 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 34.5 m -104.56 132.45 51.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.068 0.461 . . . . 2.85 111.237 -175.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -96.04 99.05 10.85 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.737 -0.665 . . . . 3.25 109.827 177.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 65.7 mt -115.42 100.1 9.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.143 -0.481 . . . . 2.98 110.063 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 57.73 50.46 10.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.798 -0.637 . . . . 3.91 110.033 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 63.89 20.14 12.07 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.106 -0.952 . . . . 5.31 111.939 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 32.2 t -118.73 121.72 40.78 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.986 -0.746 . . . . 3.54 108.986 175.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . 0.613 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 47.2 t -103.61 109.39 26.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.957 0.408 . . . . 2.78 111.4 -175.07 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . 0.42 ' O ' HG23 ' B' ' 42' ' ' VAL . 64.0 m-85 -109.5 149.43 29.61 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.009 -0.542 . . . . 4.84 109.95 175.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.532 ' HA ' ' O ' ' B' ' 40' ' ' ALA . 20.5 ttm180 -97.5 137.0 37.12 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.86 0.362 . . . . 5.38 110.169 177.219 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . 0.477 ' O ' ' HA2' ' B' ' 23' ' ' GLY . 85.9 mm-40 -86.06 108.51 18.3 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.642 -0.708 . . . . 5.18 111.375 -176.571 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -93.61 123.53 37.0 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.649 -0.5 . . . . 2.96 109.649 175.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -114.03 124.66 52.67 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.668 0.27 . . . . 1.28 110.664 178.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . 0.4 ' CE2' ' HB3' ' B' ' 19' ' ' SER . 84.4 t80 -84.67 97.08 9.44 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.16 -0.473 . . . . 4.41 110.201 -178.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . 0.502 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 39.4 mt-10 -106.45 109.91 21.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.95 -0.568 . . . . 1.49 110.523 179.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.482 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 53.4 m -96.48 98.54 10.31 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.846 -0.798 . . . . 1.57 108.846 173.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -103.56 153.89 20.09 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.423 -0.808 . . . . 2.93 110.614 -169.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' CYS . . . . . 0.649 ' SG ' HG21 ' B' ' 82' ' ' THR . 75.4 m -75.12 109.84 8.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.085 -0.507 . . . . 1.77 110.609 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . 0.496 ' NE ' ' HB ' ' B' ' 18' ' ' VAL . 65.9 mtt180 -67.85 -50.2 57.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.021 -0.536 . . . . 3.85 110.477 176.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -148.25 96.82 2.68 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.737 -0.665 . . . . 2.96 110.277 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 16.7 p -67.0 140.36 57.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.033 -0.531 . . . . 3.01 110.533 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . 0.687 ' HA ' ' O ' ' B' ' 67' ' ' GLY . 14.8 m120 68.6 70.72 0.4 Allowed Pre-proline 0 N--CA 1.466 0.33 0 O-C-N 123.657 0.598 . . . . 2.59 110.849 -178.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -62.09 -27.97 79.57 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.498 2.132 . . . . 2.81 111.642 177.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 34.6 m -111.83 163.88 8.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.67 -0.696 . . . . 2.53 109.437 176.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -80.77 57.05 2.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.02 0.438 . . . . 4.2 111.346 -175.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 10.1 p -169.21 -66.31 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.868 -0.606 . . . . 4.07 109.754 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.687 ' O ' ' HA ' ' B' ' 62' ' ' ASN . . . -151.76 -84.2 0.04 OUTLIER Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.891 -0.671 . . . . 2.7 112.113 179.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 77.2 m -140.56 173.11 11.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.799 0.333 . . . . 1.76 111.104 -178.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -72.63 135.96 45.6 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.848 -0.427 . . . . 4.4 109.848 -178.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.84 -46.4 3.43 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.727 -0.749 . . . . 1.61 111.969 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . 0.51 HG22 ' H ' ' B' ' 72' ' ' ASP . 9.6 mm -76.36 178.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.618 -0.512 . . . . 2.04 109.618 179.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . 0.51 ' H ' HG22 ' B' ' 71' ' ' ILE . 14.8 m-20 69.93 69.74 0.23 Allowed 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.353 0.597 . . . . 3.32 111.111 173.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 15.4 m -117.07 -67.01 1.02 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.608 -0.724 . . . . 4.99 110.493 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -126.7 -60.89 1.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.935 0.346 . . . . 3.33 111.935 -175.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -113.48 5.92 16.89 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.534 0.568 . . . . 4.16 112.534 -172.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' TRP . . . . . 0.51 ' O ' ' HA ' ' B' ' 72' ' ' ASP . 75.0 m95 -123.38 137.58 54.79 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.234 0.54 . . . . 3.7 111.386 179.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' ASN . . . . . 0.416 ' HA ' ' OD1' ' B' ' 72' ' ' ASP . 6.6 t30 -124.76 135.05 52.64 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.021 -0.99 . . . . 3.0 108.425 174.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.482 ' OG ' ' HB3' ' B' ' 110' ' ' CYS . 5.8 t -115.67 173.53 6.49 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.29 0.567 . . . . 2.16 112.188 -173.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -171.31 140.09 1.4 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.28 -0.873 . . . . 4.07 109.478 178.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . 0.524 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 7.1 m -86.02 119.16 26.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.897 0.379 . . . . 1.67 110.781 -177.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 26.9 m -133.53 133.29 41.96 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.087 -0.506 . . . . 2.49 109.752 178.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.649 HG21 ' SG ' ' B' ' 58' ' ' CYS . 6.8 p -80.05 120.45 24.24 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-O 120.789 0.328 . . . . 3.09 110.692 177.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 14.9 t -76.03 153.33 36.52 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.131 -1.063 . . . . 3.17 108.131 174.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -121.89 130.11 53.1 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 120.967 0.413 . . . . 4.39 111.308 -172.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' THR . . . . . 0.624 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 10.3 t -114.0 158.89 20.58 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.366 -0.605 . . . . 1.61 109.366 177.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -106.53 115.94 31.07 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.956 0.408 . . . . 2.52 109.983 -178.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 16.2 m -110.39 139.5 33.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.937 -0.574 . . . . 1.59 110.955 -177.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . 0.512 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 20.7 pttm -68.38 114.43 6.82 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.835 -0.62 . . . . 4.22 110.719 178.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.53 142.83 50.68 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.687 -0.688 . . . . 1.57 110.195 178.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 23.3 tp -79.86 104.32 10.36 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.598 -0.89 . . . . 1.87 108.598 174.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' THR . . . . . 0.449 HG21 ' HA ' ' B' ' 38' ' ' VAL . 71.1 p -117.65 152.49 35.08 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.033 -0.53 . . . . 1.44 110.004 -175.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' THR . . . . . 0.459 ' CG2' ' HB ' ' B' ' 37' ' ' THR . 10.0 t -96.36 114.15 25.8 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.531 0.682 . . . . 1.63 109.314 177.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -63.85 -32.89 74.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.024 -0.989 . . . . 2.46 110.072 -177.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -158.19 -64.29 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.004 -0.998 . . . . 3.09 108.536 173.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -139.54 27.89 2.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.865 -0.607 . . . . 3.76 109.56 173.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -137.09 118.74 14.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.376 -0.829 . . . . 3.02 109.918 -177.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.82 122.15 21.1 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.103 -0.499 . . . . 1.8 110.431 177.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.91 145.73 33.35 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.073 -0.512 . . . . 1.79 110.493 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -74.79 114.22 12.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.14 -0.482 . . . . 2.87 111.05 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 100' ' ' ARG . . . . . 0.512 ' O ' ' HA ' ' B' ' 88' ' ' LYS . 33.5 mmt180 -114.0 173.38 6.46 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.509 -0.769 . . . . 3.93 109.498 176.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -119.63 108.0 13.93 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.373 -0.973 . . . . 2.75 108.373 176.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 39.8 pt -111.53 143.32 21.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.291 0.567 . . . . 1.33 111.457 -169.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . 0.624 ' HA ' ' O ' ' B' ' 85' ' ' THR . 26.2 ptt180 -77.77 126.49 30.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.15 -0.932 . . . . 4.28 111.222 -176.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 46.4 pt -125.54 148.84 30.02 Favored 'Isoleucine or valine' 0 C--O 1.244 0.805 0 CA-C-N 115.647 -0.706 . . . . 1.36 110.033 173.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . 0.502 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 32.5 m-20 -66.09 110.05 2.82 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.18 -0.674 . . . . 1.69 109.18 176.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -91.03 -42.71 10.37 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.97 -0.559 . . . . 2.65 111.377 -170.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . 0.503 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -157.83 140.56 14.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.319 -0.4 . . . . 1.64 110.704 -178.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . 0.524 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 42.0 t -90.69 98.97 12.09 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.694 -0.854 . . . . 1.6 108.694 176.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 m -101.0 151.69 5.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.011 -0.541 . . . . 1.53 110.955 -173.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . 0.631 ' SG ' HG22 ' B' ' 14' ' ' VAL . 66.7 m -96.44 109.09 21.71 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.11 -0.496 . . . . 1.45 109.761 175.076 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 12.6 m -72.0 164.88 3.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.458 -0.792 . . . . 2.0 110.712 -177.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 69.2 mt -119.38 136.9 54.06 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.026 0.441 . . . . 1.86 109.986 174.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 43.3 t -131.58 141.15 49.61 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 108.603 -0.888 . . . . 3.01 108.603 173.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 116.468 -0.333 . . . . 7.45 110.549 -177.831 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 . . . . . 0 CA--C 1.519 -0.215 0 CA-C-O 121.195 0.522 . . . . 4.02 110.648 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 m -61.36 118.72 7.29 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.439 -0.8 . . . . 2.58 110.041 177.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.8 m -57.87 -30.31 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.134 0 CA-C-O 120.952 0.406 . . . . 1.8 110.933 177.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.465 ' SG ' ' HB3' ' A' ' 60' ' ' ALA . 43.4 t -109.58 129.45 55.58 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.964 -0.562 . . . . 1.75 109.998 177.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -67.36 116.37 8.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.141 -0.481 . . . . 2.87 110.151 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.8 p -132.01 155.57 47.78 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.923 -0.581 . . . . 1.91 110.587 -177.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 56' ' ' THR . 7.1 p -122.83 115.89 47.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.082 0.468 . . . . 1.88 110.893 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.0 m -89.46 119.71 30.15 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.576 -0.527 . . . . 1.95 109.576 175.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 54' ' ' PHE . 53.7 t -118.31 137.48 52.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.092 -0.504 . . . . 1.55 110.973 -174.176 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.408 ' HA ' ' O ' ' A' ' 53' ' ' PHE . 97.6 m95 -95.08 96.91 9.55 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.826 -0.805 . . . . 1.86 108.826 173.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.4 t -78.79 136.11 24.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.238 -0.892 . . . . 1.41 110.288 -174.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.12 65.37 2.66 Favored Glycine 0 N--CA 1.45 -0.376 0 O-C-N 123.721 0.638 . . . . 1.36 112.616 -178.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 73.74 0.18 3.55 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.52 0.728 . . . . 3.02 112.018 172.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.3 tttt 51.85 -139.63 0.96 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.159 -0.473 . . . . 1.64 110.72 176.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.2 m -147.05 -51.07 0.2 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.123 -0.361 . . . . 2.12 110.822 176.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.0 p -133.06 146.3 51.55 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.486 -0.325 . . . . 1.54 110.596 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.39 164.56 29.9 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.327 -0.397 . . . . 1.29 110.719 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.9 m -103.95 118.91 37.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.407 -0.361 . . . . 1.53 110.693 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -69.42 162.41 27.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.693 -0.685 . . . . 1.85 110.204 177.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.0 tt -59.64 -25.83 32.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.889 0.376 . . . . 1.74 111.419 -178.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -79.54 -6.29 56.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.783 0.325 . . . . 2.65 111.116 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.94 20.58 39.01 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.867 -0.682 . . . . 1.25 111.926 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -95.19 131.78 40.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.565 0.221 . . . . 2.58 110.653 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -84.05 115.09 22.18 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.863 -0.791 . . . . 2.19 108.863 174.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.9 m -117.55 154.99 19.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 116.096 -0.502 . . . . 1.48 110.867 -175.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.2 m -91.75 128.36 37.56 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.726 -0.67 . . . . 1.5 110.043 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.474 ' HA ' HG21 ' A' ' 91' ' ' THR . 36.5 t -90.55 141.48 14.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.296 -0.411 . . . . 1.55 110.017 -179.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.2 mt -86.34 126.76 34.57 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.979 -0.555 . . . . 1.91 109.804 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.3 -25.78 67.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.451 0.643 . . . . 2.35 109.89 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -137.13 125.28 23.01 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.868 -1.06 . . . . 3.59 108.674 172.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 49' ' ' PHE . 31.6 m -89.61 126.74 42.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.285 0.564 . . . . 2.85 110.396 -176.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -83.53 98.43 9.55 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.896 0.855 . . . . 3.25 110.624 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.8 mm -106.17 152.6 7.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 N-CA-C 107.702 -1.222 . . . . 2.98 107.702 175.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -54.89 108.51 0.4 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.778 0.323 . . . . 3.91 111.097 -175.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 66.37 29.16 9.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.196 -0.911 . . . . 5.31 111.685 178.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.4 t -161.83 115.3 1.86 Allowed 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 121.038 0.446 . . . . 3.53 110.937 176.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.7 t -116.44 114.66 46.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 110.005 -0.369 . . . . 2.78 110.005 177.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.41 ' O ' HG23 ' A' ' 42' ' ' VAL . 47.4 p90 -144.59 164.59 30.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.801 0.334 . . . . 4.85 111.079 -175.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -84.23 146.01 28.03 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.017 -0.735 . . . . 5.38 109.017 175.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.42 ' HB2' ' CE ' ' B' ' 88' ' ' LYS . 1.5 pp0? -109.65 -15.3 14.19 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.288 -0.565 . . . . 5.18 112.513 -173.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 61.17 166.81 0.09 Allowed 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.255 0.835 . . . . 2.96 113.255 171.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.408 ' O ' ' HA ' ' A' ' 21' ' ' TRP . 40.8 m-85 -140.75 160.62 39.65 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.488 -0.778 . . . . 1.28 110.085 172.188 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.405 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 14.1 p90 -126.43 112.99 16.27 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.103 0.477 . . . . 4.41 109.817 176.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 32.3 mt-10 -121.89 124.12 43.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.267 -0.424 . . . . 1.49 110.385 -178.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 66.3 m -100.78 113.23 25.96 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.123 -0.489 . . . . 1.56 109.766 177.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -103.47 140.83 36.96 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.977 -0.556 . . . . 2.93 110.419 -175.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 77.3 m -76.89 106.69 8.72 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.182 -0.463 . . . . 1.77 110.511 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -75.85 -32.32 59.7 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.217 -0.66 . . . . 3.84 109.217 175.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 66' ' ' SER . . . -92.84 140.74 29.19 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.021 -0.99 . . . . 2.96 109.249 173.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.4 m -149.12 11.53 0.82 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.593 0.235 . . . . 3.02 111.577 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.405 ' O ' ' HA3' ' A' ' 67' ' ' GLY . 6.9 t30 -109.0 134.48 20.37 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 109.178 -0.675 . . . . 2.59 109.178 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.473 ' HA ' ' O ' ' A' ' 78' ' ' SER . 2.8 Cg_exo -34.9 -62.56 0.2 Allowed 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 124.225 3.283 . . . . 2.81 114.615 -173.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 58.5 t -123.27 -55.29 2.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 121.036 -0.266 . . . . 2.53 111.559 -176.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -45.31 -42.81 10.15 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 123.855 0.722 . . . . 4.19 112.141 -175.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.485 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 21.6 t -138.68 62.76 1.54 Allowed 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.774 -0.825 . . . . 4.07 108.774 176.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.405 ' HA3' ' O ' ' A' ' 62' ' ' ASN . . . -175.27 -118.05 0.51 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.849 -0.691 . . . . 2.7 112.59 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 86.0 m -84.94 74.76 10.46 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.552 0.691 . . . . 1.76 111.42 -172.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.8 mtm180 -67.2 126.21 28.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.34 -0.846 . . . . 4.4 109.931 175.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.38 -32.92 3.12 Favored Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 111.213 -0.755 . . . . 1.61 111.213 -174.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.0 mm -75.67 122.93 30.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 2.04 110.11 177.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -142.9 86.84 1.95 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.014 0.435 . . . . 3.32 110.662 -177.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.4 t -157.24 150.77 24.11 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.867 -0.606 . . . . 4.99 109.813 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -93.87 3.15 55.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.256 0.55 . . . . 3.32 109.895 177.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -102.66 -8.33 21.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.542 -0.754 . . . . 4.16 110.415 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.481 ' CE3' ' HB3' ' A' ' 112' ' ' LEU . 83.8 m95 -122.93 140.89 52.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.037 -0.529 . . . . 3.71 111.551 -174.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -118.93 135.05 54.79 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.967 -1.123 . . . . 3.0 107.967 167.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.473 ' O ' ' HA ' ' A' ' 63' ' ' PRO . 11.0 t -125.28 153.97 42.43 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.696 -0.402 . . . . 2.16 111.117 -172.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -173.82 174.38 3.09 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.466 -0.788 . . . . 4.07 109.305 175.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.505 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 35.5 m -103.38 138.92 39.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.196 -0.456 . . . . 1.67 110.732 -176.039 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 61.9 m -131.66 133.6 45.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.435 -0.348 . . . . 2.49 110.666 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.447 ' HB ' ' HB3' ' A' ' 105' ' ' ASP . 23.3 p -83.71 126.09 32.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.01 0.433 . . . . 3.09 110.7 177.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.8 p -90.15 128.9 36.46 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.225 -0.443 . . . . 3.17 110.57 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.428 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 10.8 p-80 -99.84 131.07 46.04 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.152 0.501 . . . . 4.4 110.86 -178.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.565 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 12.4 t -117.16 162.66 17.5 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.962 -0.755 . . . . 1.61 108.962 178.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -103.36 116.19 31.96 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.954 0.406 . . . . 2.52 110.084 -177.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.5 m -110.27 146.58 15.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.879 -0.6 . . . . 1.59 111.306 -176.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.45 ' CE ' ' HB2' ' B' ' 51' ' ' GLN . 15.4 pttm -75.76 106.68 7.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.28 -0.873 . . . . 4.22 110.871 177.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.16 137.67 51.31 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.952 -0.567 . . . . 1.57 110.722 178.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.0 tp -75.03 104.17 5.5 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.231 -0.655 . . . . 1.87 109.231 177.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.474 HG21 ' HA ' ' A' ' 38' ' ' VAL . 48.9 p -127.1 163.48 23.7 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.956 -0.565 . . . . 1.44 110.202 -175.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.2 t -110.4 111.07 22.11 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.394 0.616 . . . . 1.63 110.603 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -91.74 3.18 55.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.487 -0.779 . . . . 2.47 110.95 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -161.74 -75.78 0.05 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.175 -0.466 . . . . 3.09 109.907 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -140.26 -56.98 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.726 -0.472 . . . . 3.75 109.726 174.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -65.66 160.18 23.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.06 -0.518 . . . . 3.02 110.016 176.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -107.06 138.05 43.98 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.238 -0.437 . . . . 1.8 110.619 -178.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.73 150.79 40.57 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.224 -0.444 . . . . 1.79 110.61 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -74.31 99.31 3.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.133 -0.485 . . . . 2.88 110.101 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -99.73 164.29 12.11 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.631 -0.713 . . . . 3.92 109.68 -178.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -105.52 104.1 13.75 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.232 -0.655 . . . . 2.74 109.232 177.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 23.9 pt -112.74 145.82 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.058 -0.519 . . . . 1.33 111.384 -171.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.565 ' HA ' ' O ' ' A' ' 85' ' ' THR . 7.0 ptm180 -79.68 119.32 22.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.616 -0.72 . . . . 4.27 111.804 -176.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.428 ' O ' ' HA ' ' A' ' 84' ' ' HIS . 47.9 pt -121.01 143.24 33.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.8 -0.637 . . . . 1.36 109.504 170.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.447 ' HB3' ' HB ' ' A' ' 82' ' ' THR . 2.7 m-20 -76.24 98.14 4.37 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.253 -0.647 . . . . 1.69 109.253 178.26 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.9 t -93.9 -20.86 19.63 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.368 0.507 . . . . 2.66 112.368 -167.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.445 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -147.5 161.39 41.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.922 0.392 . . . . 1.64 111.516 -176.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.505 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 40.4 t -123.1 110.68 15.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.59 -0.732 . . . . 1.59 109.039 177.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.0 m -103.77 151.38 6.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.134 -0.485 . . . . 1.52 111.305 -173.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 36.7 t -94.21 121.27 35.54 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.465 -0.789 . . . . 1.45 108.873 174.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.7 m -114.07 156.25 15.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.89 0.376 . . . . 2.0 111.559 -176.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.481 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . 81.5 mt -122.68 137.63 54.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.865 -0.607 . . . . 1.86 109.816 173.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 48.1 t -122.89 141.83 51.46 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.815 -0.439 . . . . 3.01 109.815 178.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 115.656 -0.702 . . . . 7.46 110.126 -179.162 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 . . . . . 0 CA--C 1.521 -0.172 0 CA-C-O 121.215 0.531 . . . . 4.01 110.644 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 5.0 m -61.19 118.41 6.8 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.409 -0.814 . . . . 2.58 110.07 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.2 m -57.73 -30.44 37.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-O 120.996 0.427 . . . . 1.81 110.862 177.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.456 ' SG ' ' HB3' ' B' ' 60' ' ' ALA . 44.2 t -109.25 129.26 55.51 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.889 -0.596 . . . . 1.75 109.921 177.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -67.38 117.28 9.15 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.145 -0.48 . . . . 2.87 110.196 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 12.3 p -132.76 155.79 48.25 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.938 -0.573 . . . . 1.91 110.537 -177.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' B' ' 56' ' ' THR . 7.1 p -123.11 116.03 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-O 121.221 0.534 . . . . 1.88 110.774 179.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 48.8 m -89.66 119.64 30.25 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.667 -0.494 . . . . 1.95 109.667 175.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' B' ' 54' ' ' PHE . 57.3 t -118.34 137.77 51.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.256 -0.429 . . . . 1.55 110.762 -173.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . 0.422 ' HA ' ' O ' ' B' ' 53' ' ' PHE . 97.9 m95 -95.42 96.71 9.29 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.84 -0.8 . . . . 1.86 108.84 173.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 54.7 t -78.57 136.0 24.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-N 115.267 -0.879 . . . . 1.41 110.214 -174.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.08 65.31 2.65 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.825 -0.625 . . . . 1.36 112.493 -178.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 73.55 0.57 3.69 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.566 0.746 . . . . 3.01 112.0 172.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 50.6 tttt 51.91 -139.09 1.01 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 122.854 0.462 . . . . 1.64 110.728 176.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 25.4 m -147.21 -51.31 0.2 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.915 0.388 . . . . 2.11 110.837 175.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 7.4 p -133.18 146.11 51.22 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.312 -0.404 . . . . 1.53 110.396 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.22 165.09 28.48 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.258 -0.428 . . . . 1.29 110.585 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 15.2 m -104.38 118.71 37.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.372 -0.377 . . . . 1.52 110.773 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -69.21 162.81 26.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.923 -0.58 . . . . 1.84 110.163 177.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 17.0 tt -59.99 -25.53 33.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.982 0.42 . . . . 1.74 111.377 -178.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -79.92 -6.43 57.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.388 -0.369 . . . . 2.65 110.925 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.34 19.78 40.67 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.869 -0.681 . . . . 1.25 112.027 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -94.59 131.9 39.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.6 0.238 . . . . 2.58 110.719 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -84.24 114.79 22.08 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.941 -0.762 . . . . 2.19 108.941 174.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 35.6 m -117.37 155.02 19.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 116.007 -0.542 . . . . 1.48 110.955 -175.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 20.0 m -91.82 128.27 37.59 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.739 -0.664 . . . . 1.5 110.07 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.455 ' HA ' HG21 ' B' ' 91' ' ' THR . 36.4 t -90.59 141.49 14.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.32 -0.4 . . . . 1.55 110.089 -179.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 62.6 mt -86.5 126.72 34.64 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.031 -0.531 . . . . 1.91 109.794 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.46 -25.58 67.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.393 0.616 . . . . 2.34 110.031 178.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -137.13 125.22 22.93 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.969 -1.014 . . . . 3.59 108.657 172.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 31.4 m -89.52 126.53 42.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 121.329 0.585 . . . . 2.85 110.306 -176.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -83.55 98.6 9.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.905 0.86 . . . . 3.25 110.58 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.0 mm -106.17 152.58 7.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 107.666 -1.235 . . . . 2.98 107.666 175.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -55.26 108.82 0.46 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.94 0.4 . . . . 3.91 110.958 -175.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 66.29 29.16 9.68 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 114.988 -1.006 . . . . 5.31 111.779 178.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 29.0 t -162.07 115.39 1.8 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.95 0.405 . . . . 3.54 110.939 176.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 57.6 t -116.51 115.09 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.898 -0.408 . . . . 2.78 109.898 177.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -144.64 165.26 28.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.576 -0.284 . . . . 4.84 111.095 -175.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -85.06 146.08 27.35 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.919 -0.771 . . . . 5.38 108.919 176.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . 0.45 ' HB2' ' CE ' ' A' ' 88' ' ' LYS . 1.5 pp0? -109.65 -15.14 14.23 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.32 -0.552 . . . . 5.18 112.463 -173.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 60.99 166.97 0.09 Allowed 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.335 0.865 . . . . 2.96 113.335 171.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . 0.422 ' O ' ' HA ' ' B' ' 21' ' ' TRP . 40.4 m-85 -140.84 160.57 39.77 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.582 -0.735 . . . . 1.28 110.03 172.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' B' ' 20' ' ' VAL . 13.8 p90 -126.41 112.92 16.2 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.032 0.444 . . . . 4.41 109.906 175.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -121.68 124.16 43.62 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.298 -0.41 . . . . 1.49 110.508 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.427 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 71.1 m -101.07 113.32 26.22 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.659 -0.497 . . . . 1.57 109.659 177.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -103.38 140.31 37.62 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.934 -0.576 . . . . 2.93 110.465 -176.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 75.0 m -76.43 107.03 8.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.079 -0.509 . . . . 1.77 110.464 178.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -76.03 -32.37 59.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.517 0.675 . . . . 3.85 109.281 175.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' B' ' 66' ' ' SER . . . -92.77 140.64 29.31 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.192 -0.913 . . . . 2.96 109.273 173.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 50.4 m -149.2 12.32 0.83 Allowed 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.978 -0.289 . . . . 3.01 111.51 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -109.42 134.42 20.52 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 109.26 -0.644 . . . . 2.59 109.26 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' PRO . . . . . 0.483 ' HA ' ' O ' ' B' ' 78' ' ' SER . 2.7 Cg_exo -34.57 -62.75 0.19 Allowed 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 124.37 3.38 . . . . 2.81 114.602 -173.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 58.0 t -123.05 -55.26 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.959 -0.296 . . . . 2.53 111.66 -176.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -45.58 -42.36 11.02 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.822 0.701 . . . . 4.2 112.135 -175.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' SER . . . . . 0.506 ' O ' ' HB2' ' B' ' 60' ' ' ALA . 22.3 t -138.9 62.85 1.53 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.801 -0.815 . . . . 4.07 108.801 176.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -175.38 -118.15 0.51 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.764 -0.731 . . . . 2.7 112.534 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 86.4 m -85.03 75.0 10.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.528 0.68 . . . . 1.76 111.42 -172.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -67.14 126.56 29.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.251 -0.886 . . . . 4.4 109.96 175.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.03 -32.8 3.2 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.689 -0.767 . . . . 1.61 111.301 -175.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 48.9 mm -75.57 123.53 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.97 -0.382 . . . . 2.04 109.97 177.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -143.55 86.35 1.88 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.105 0.478 . . . . 3.32 110.681 -177.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 42.5 t -157.04 150.61 24.34 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.818 -0.628 . . . . 4.99 109.847 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -93.92 3.37 55.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.139 0.495 . . . . 3.33 109.769 177.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -102.82 -8.33 20.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.686 -0.688 . . . . 4.16 110.428 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' TRP . . . . . 0.469 ' CE3' ' HB3' ' B' ' 112' ' ' LEU . 83.8 m95 -122.94 140.67 52.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.248 0.546 . . . . 3.7 111.613 -174.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -118.83 134.98 54.78 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.091 -1.078 . . . . 3.0 108.091 167.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.483 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 10.8 t -125.5 153.76 43.09 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.749 -0.38 . . . . 2.16 111.039 -172.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -173.64 174.46 3.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.457 -0.792 . . . . 4.07 109.357 175.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . 0.503 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 35.4 m -103.51 138.98 39.47 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.142 -0.481 . . . . 1.67 110.724 -176.191 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 62.3 m -131.66 133.61 45.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.487 -0.324 . . . . 2.49 110.482 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.451 ' HB ' ' HB3' ' B' ' 105' ' ' ASP . 23.8 p -83.6 126.39 32.78 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 120.888 0.375 . . . . 3.09 110.791 177.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 14.3 p -90.22 128.68 36.45 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.244 -0.435 . . . . 3.17 110.718 179.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' HIS . . . . . 0.436 ' HA ' ' O ' ' B' ' 104' ' ' ILE . 11.0 p-80 -99.61 131.28 45.71 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.099 0.476 . . . . 4.39 110.746 -179.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' THR . . . . . 0.569 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 12.7 t -117.38 162.63 17.62 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.817 -0.808 . . . . 1.61 108.817 178.279 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -103.46 116.37 32.28 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.052 0.453 . . . . 2.52 110.03 -177.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 26.0 m -110.44 146.61 15.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.838 -0.619 . . . . 1.59 111.222 -176.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . 0.42 ' CE ' ' HB2' ' A' ' 51' ' ' GLN . 15.4 pttm -75.83 106.92 7.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.309 -0.859 . . . . 4.22 110.774 177.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.22 137.6 51.21 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.816 -0.629 . . . . 1.57 110.708 178.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 20.0 tp -74.99 104.24 5.5 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.201 -0.666 . . . . 1.87 109.201 177.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' THR . . . . . 0.455 HG21 ' HA ' ' B' ' 38' ' ' VAL . 51.2 p -127.12 163.44 23.81 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.868 -0.605 . . . . 1.44 110.294 -175.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 4.0 t -110.62 110.73 21.54 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.496 0.665 . . . . 1.63 110.55 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -91.31 3.38 55.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.405 -0.816 . . . . 2.46 110.885 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -161.84 -76.33 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.223 -0.444 . . . . 3.09 109.867 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -139.96 -56.87 0.56 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.795 -0.446 . . . . 3.76 109.795 175.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -65.7 159.98 23.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.122 -0.49 . . . . 3.02 110.024 176.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -107.23 137.84 44.53 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.291 -0.413 . . . . 1.8 110.705 -178.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.52 150.71 40.81 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.391 -0.368 . . . . 1.79 110.569 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -74.14 99.43 3.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.164 -0.471 . . . . 2.87 110.064 177.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -99.76 164.75 11.91 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.61 -0.723 . . . . 3.93 109.767 -179.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -106.05 104.11 13.75 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.2 -0.667 . . . . 2.75 109.2 177.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 24.0 pt -112.9 145.65 18.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.074 -0.512 . . . . 1.33 111.424 -171.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . 0.569 ' HA ' ' O ' ' B' ' 85' ' ' THR . 6.9 ptm180 -79.4 119.1 21.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.6 -0.727 . . . . 4.28 111.822 -176.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 104' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' B' ' 84' ' ' HIS . 47.9 pt -120.95 143.18 33.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.848 -0.615 . . . . 1.36 109.583 170.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . 0.451 ' HB3' ' HB ' ' B' ' 82' ' ' THR . 2.5 m-20 -76.28 98.18 4.4 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.347 -0.612 . . . . 1.69 109.347 178.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 8.9 t -93.94 -20.94 19.54 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.311 0.486 . . . . 2.65 112.311 -167.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -147.53 161.36 41.26 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.698 -0.401 . . . . 1.64 111.554 -176.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . 0.503 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 41.3 t -122.98 110.72 15.73 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.583 -0.735 . . . . 1.6 109.037 177.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 20.7 m -103.83 151.35 6.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.089 0.471 . . . . 1.53 111.409 -173.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 36.6 t -94.1 121.32 35.48 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.794 -0.817 . . . . 1.45 108.794 174.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 21.7 m -114.0 156.53 14.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.916 0.389 . . . . 2.0 111.62 -176.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . 0.469 ' HB3' ' CE3' ' B' ' 76' ' ' TRP . 81.6 mt -122.94 137.82 54.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.893 -0.594 . . . . 1.86 109.674 173.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 47.5 t -123.08 141.81 51.56 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.824 -0.436 . . . . 3.01 109.824 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 115.62 -0.718 . . . . 7.45 110.248 -179.183 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 . . . . . 0 CA--C 1.519 -0.226 0 CA-C-O 121.117 0.484 . . . . 4.02 110.565 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.7 t -77.74 134.1 38.15 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.677 -0.692 . . . . 2.58 109.66 177.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.439 ' O ' ' HB3' ' A' ' 68' ' ' CYS . 35.4 m -65.29 -21.75 29.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.008 -0.542 . . . . 1.8 110.844 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.3 t -121.46 134.27 55.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.834 -0.621 . . . . 1.75 110.407 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.416 ' CG ' HH21 ' A' ' 69' ' ' ARG . 1.1 m-20 -64.58 115.59 5.35 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.935 -0.575 . . . . 2.87 110.883 179.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.2 p -140.64 159.03 43.08 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.761 -0.654 . . . . 1.91 110.958 -176.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.5 p -125.24 121.03 59.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.005 -0.543 . . . . 1.88 110.631 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.421 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 49.3 m -92.07 121.69 33.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.378 -0.374 . . . . 1.95 110.118 177.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.4 t -118.75 137.87 51.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.477 -0.329 . . . . 1.55 110.902 -176.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -100.69 95.59 6.77 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.937 -0.764 . . . . 1.86 108.937 172.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.2 t -78.28 113.62 17.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.976 -0.556 . . . . 1.41 110.579 -176.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.61 -6.46 64.02 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.872 -0.68 . . . . 1.36 112.296 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -144.4 67.45 1.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.358 0.599 . . . . 3.02 110.124 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.737 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 57.1 tttp -85.16 95.69 9.23 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.758 -0.83 . . . . 1.64 108.758 175.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.1 t -69.47 -29.02 66.59 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.105 0.409 . . . . 2.12 112.105 -170.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 4.0 p -141.61 146.06 35.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.002 0.429 . . . . 1.54 111.345 -179.289 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -145.09 166.38 25.53 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.768 -0.651 . . . . 1.29 110.23 176.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.5 m -94.69 121.13 35.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.131 -0.486 . . . . 1.53 110.584 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -71.51 156.79 39.03 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.255 -0.884 . . . . 1.85 110.077 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.0 tt -64.51 -18.0 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.068 -0.515 . . . . 1.74 110.753 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -87.66 -4.5 58.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 2.65 111.13 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.67 24.22 28.69 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.779 -0.724 . . . . 1.25 111.964 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -99.49 165.48 11.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.94 0.4 . . . . 2.58 110.423 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -108.32 114.5 28.42 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.363 -0.977 . . . . 2.19 108.363 172.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 27' ' ' THR . 17.3 m -115.73 147.38 19.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.147 -0.479 . . . . 1.48 111.75 -173.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.6 m -87.82 110.82 20.78 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.392 -0.822 . . . . 1.5 110.004 179.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.737 ' HB ' ' O ' ' A' ' 25' ' ' LYS . 29.8 t -87.21 132.43 32.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.112 -0.494 . . . . 1.55 110.121 -176.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.505 ' C ' ' H ' ' A' ' 41' ' ' GLU . 82.9 mt -86.9 -19.93 28.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.274 -0.421 . . . . 1.91 111.286 -176.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 72.53 -30.75 0.21 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.713 0.805 . . . . 2.35 111.459 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.505 ' H ' ' C ' ' A' ' 39' ' ' LEU . 43.7 mt-10 -105.52 155.03 19.57 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.876 -0.787 . . . . 3.59 108.876 176.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.524 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 26.0 m -116.86 117.0 53.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.462 0.649 . . . . 2.85 110.856 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.442 ' H ' ' CD2' ' A' ' 90' ' ' LEU . 48.0 m-80 -96.35 99.77 11.43 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.481 -0.781 . . . . 3.25 109.252 177.225 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.0 mt -93.22 -84.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 C-N-CA 120.989 -0.284 . . . . 2.98 110.329 -178.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -125.52 -67.92 0.86 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.565 -0.532 . . . . 3.91 109.565 177.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -133.19 46.73 2.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.855 -0.611 . . . . 5.31 109.746 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.2 t -162.27 125.81 3.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.897 -0.592 . . . . 3.53 109.837 -177.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.524 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 36.9 t -127.15 96.61 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 2.78 110.212 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.497 ' O ' HG23 ' A' ' 42' ' ' VAL . 11.6 p90 -120.51 142.49 49.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.391 0.615 . . . . 4.85 111.48 -178.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.45 ' HG2' ' HG2' ' A' ' 41' ' ' GLU . 70.2 mtm180 -83.69 -164.81 0.97 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.244 -0.889 . . . . 5.38 111.38 -177.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.492 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 41.9 tp60 -150.39 -46.75 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.776 -0.647 . . . . 5.18 110.426 -178.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.492 ' HB2' ' O ' ' A' ' 51' ' ' GLN . 49.3 m-85 72.33 123.42 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.988 0.805 . . . . 2.96 110.005 -172.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -95.86 117.34 30.39 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.743 -0.662 . . . . 1.28 110.865 -174.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -83.73 107.68 16.31 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.315 -0.857 . . . . 4.41 110.53 -177.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.581 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 34.5 mt-10 -120.86 116.01 24.35 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.744 -0.662 . . . . 1.49 110.347 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.421 ' HA ' ' HA ' ' A' ' 19' ' ' SER . 57.9 m -95.63 114.42 26.17 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.812 -0.44 . . . . 1.56 109.812 175.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -107.64 140.63 40.36 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.998 -0.546 . . . . 2.93 110.604 -175.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.4 ' SG ' HG23 ' A' ' 82' ' ' THR . 39.0 m -73.42 107.76 5.89 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.419 -0.586 . . . . 1.77 109.419 176.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -83.9 -0.57 51.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.222 0.534 . . . . 3.84 109.92 -179.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -156.16 134.71 11.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.238 -0.892 . . . . 2.96 109.207 175.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.6 p -83.7 -30.78 26.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.236 0.541 . . . . 3.02 109.875 177.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -141.15 86.94 11.02 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.116 -0.947 . . . . 2.59 109.081 175.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -54.44 -33.98 79.63 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.728 2.285 . . . . 2.81 112.575 -178.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.9 m -118.33 155.4 20.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.574 -0.528 . . . . 2.53 109.574 176.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -79.33 64.16 4.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.452 0.644 . . . . 4.19 110.653 -175.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.8 p -177.65 -22.57 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.883 -1.053 . . . . 4.07 109.748 -178.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.412 ' CA ' ' HB2' ' A' ' 78' ' ' SER . . . 153.58 -115.56 0.68 Allowed Glycine 0 N--CA 1.445 -0.76 0 CA-C-N 115.638 -0.71 . . . . 2.7 111.37 179.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 14' ' ' VAL . 72.0 m -111.28 172.74 6.71 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.126 -0.324 . . . . 1.76 110.126 177.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.416 HH21 ' CG ' ' A' ' 16' ' ' ASP . 90.8 mtt180 -65.3 122.08 16.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.576 -0.284 . . . . 4.4 110.828 -175.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 85.61 -0.3 88.15 Favored Glycine 0 N--CA 1.454 -0.131 0 C-N-CA 120.874 -0.679 . . . . 1.61 113.644 172.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.483 HG22 ' H ' ' A' ' 73' ' ' SER . 50.4 mm -78.76 137.96 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.062 0.458 . . . . 2.04 110.378 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -54.68 -37.44 65.78 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.259 -0.882 . . . . 3.32 112.22 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.483 ' H ' HG22 ' A' ' 71' ' ' ILE . 31.3 t 77.04 -40.54 0.36 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.506 0.723 . . . . 4.99 112.154 175.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -73.84 -40.47 63.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.253 0.549 . . . . 3.32 110.518 -177.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -93.52 -15.35 25.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.737 -0.665 . . . . 4.16 111.031 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.449 ' O ' ' HA ' ' A' ' 73' ' ' SER . 90.4 m95 -142.25 115.4 8.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.441 -0.345 . . . . 3.71 111.502 -175.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.501 ' HB3' ' O ' ' A' ' 113' ' ' SER . 28.3 t-20 -86.19 137.15 32.86 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 107.904 -1.147 . . . . 3.0 107.904 170.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.747 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 3.1 m -111.07 143.92 41.02 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.943 0.401 . . . . 2.16 111.789 -170.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.415 ' O ' HG23 ' A' ' 111' ' ' VAL . 76.9 t80 -148.13 135.13 20.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.692 -0.686 . . . . 4.07 109.539 174.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.608 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 71.7 m -88.2 130.06 35.17 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.009 0.433 . . . . 1.67 111.102 -178.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.45 ' O ' HG21 ' A' ' 109' ' ' VAL . 60.1 m -137.73 133.92 34.71 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.914 -0.585 . . . . 2.49 109.884 178.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.4 HG23 ' SG ' ' A' ' 58' ' ' CYS . 24.3 p -81.4 129.76 34.76 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.857 0.361 . . . . 3.09 111.136 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.5 t -86.34 140.44 30.05 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 108.793 -0.818 . . . . 3.17 108.793 174.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -123.5 146.55 47.98 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.017 0.436 . . . . 4.4 111.485 -170.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.588 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 11.5 t -128.98 173.62 10.27 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.63 -0.714 . . . . 1.61 109.352 178.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -117.49 116.81 27.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.019 0.437 . . . . 2.52 110.93 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.3 m -114.39 139.75 38.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.813 -0.631 . . . . 1.59 110.029 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -87.42 116.08 25.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.581 0.705 . . . . 4.22 110.677 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -126.98 153.36 45.98 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.347 -0.842 . . . . 1.57 110.002 -178.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.442 ' CD2' ' H ' ' A' ' 43' ' ' ASN . 21.2 tp -73.66 112.84 10.14 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.303 0.573 . . . . 1.87 109.93 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 47.6 p -114.82 159.71 20.31 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.342 -0.844 . . . . 1.44 109.695 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.493 ' HA ' ' O ' ' A' ' 96' ' ' GLN . 9.9 t -111.62 123.61 50.6 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 121.622 0.725 . . . . 1.63 111.295 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -106.17 98.32 8.02 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.018 -0.992 . . . . 2.47 108.7 176.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 68.05 -80.63 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.363 -0.835 . . . . 3.09 110.606 -175.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -128.17 -13.26 5.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.801 0.334 . . . . 3.75 110.819 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.493 ' O ' ' HA ' ' A' ' 92' ' ' THR . 2.4 mp0 -85.36 156.31 20.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.41 -0.359 . . . . 3.02 110.532 -175.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -122.61 116.88 24.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.227 -0.442 . . . . 1.8 109.937 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.78 144.95 47.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.828 0.347 . . . . 1.79 111.313 -175.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 51.6 m95 -76.98 102.21 6.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.869 -0.605 . . . . 2.88 110.031 178.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -109.39 145.98 35.2 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.949 0.404 . . . . 3.92 111.14 -177.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -83.41 111.47 19.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.491 -0.777 . . . . 2.74 110.072 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 36.4 pt -114.23 148.86 16.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.751 -0.659 . . . . 1.33 110.441 -178.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.588 ' HA ' ' O ' ' A' ' 85' ' ' THR . 32.7 ptt180 -86.45 133.67 33.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.085 -0.507 . . . . 4.27 110.944 -177.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 40.4 pt -132.21 151.28 34.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.835 -0.621 . . . . 1.36 110.047 174.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.581 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 37.8 m-20 -86.82 119.83 27.45 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.821 -0.437 . . . . 1.69 109.821 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 18.5 p -90.69 -39.33 12.51 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.721 0.296 . . . . 2.66 111.603 -174.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -153.28 157.71 40.55 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.929 0.395 . . . . 1.64 111.095 -177.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.608 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 41.0 t -104.65 110.68 23.1 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.24 -0.652 . . . . 1.59 109.24 176.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.45 HG21 ' O ' ' A' ' 81' ' ' THR . 16.7 m -98.05 152.98 4.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.147 -0.478 . . . . 1.52 110.154 -176.252 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.747 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 53.0 t -107.71 104.7 14.28 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.423 -0.584 . . . . 1.45 109.423 177.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 79' ' ' TYR . 28.6 m -78.18 135.45 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.829 -0.434 . . . . 2.0 109.829 -179.283 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.446 ' HB3' ' HB3' ' A' ' 76' ' ' TRP . 72.7 mt -112.78 136.8 51.98 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.473 -0.331 . . . . 1.86 111.051 -177.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.501 ' O ' ' HB3' ' A' ' 77' ' ' ASN . 33.7 p 179.72 113.9 0.04 OUTLIER 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.728 -0.669 . . . . 3.01 110.161 173.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.442 ' HD2' ' O ' ' A' ' 114' ' ' ARG . 1.6 tmm_? . . . . . 0 C--N 1.321 -0.644 0 N-CA-C 108.146 -1.057 . . . . 7.46 108.146 167.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 121.079 0.466 . . . . 4.01 110.42 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 45.6 t -77.78 134.09 38.11 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.806 -0.634 . . . . 2.58 109.741 177.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.435 ' O ' ' HB3' ' B' ' 68' ' ' CYS . 35.4 m -65.14 -21.52 29.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.08 -0.509 . . . . 1.81 110.901 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 38.8 t -121.81 134.17 54.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.823 -0.626 . . . . 1.75 110.304 176.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . 0.416 ' CG ' HH21 ' B' ' 69' ' ' ARG . 1.0 OUTLIER -64.82 115.86 5.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.929 -0.578 . . . . 2.87 110.774 179.297 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 3.2 p -140.7 159.28 42.54 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.735 -0.666 . . . . 1.91 110.854 -176.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.7 p -125.29 121.29 60.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.14 -0.482 . . . . 1.88 110.736 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.423 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 48.1 m -92.56 121.59 34.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.389 -0.369 . . . . 1.95 110.154 177.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 68.7 t -118.77 137.91 51.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.313 -0.403 . . . . 1.55 111.0 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -100.84 95.97 6.98 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.907 -0.775 . . . . 1.86 108.907 172.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 23.6 t -78.61 113.64 18.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.94 -0.573 . . . . 1.41 110.53 -175.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.85 -5.94 64.01 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.833 -0.699 . . . . 1.36 112.269 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -144.68 67.12 1.25 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.386 0.612 . . . . 3.01 110.054 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.732 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 57.1 tttp -84.63 95.73 8.98 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.725 -0.842 . . . . 1.64 108.725 175.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 12.9 t -69.85 -29.02 66.17 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.04 0.385 . . . . 2.11 112.04 -170.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' B' ' 36' ' ' VAL . 4.3 p -141.52 145.95 35.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.051 0.453 . . . . 1.53 111.217 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.98 166.61 24.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.672 -0.695 . . . . 1.29 110.241 176.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 12.1 m -94.97 121.05 36.19 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.161 -0.472 . . . . 1.52 110.554 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -71.83 156.44 39.3 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.213 -0.903 . . . . 1.84 110.003 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.0 tt -64.08 -18.03 21.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.35 0.595 . . . . 1.74 110.845 179.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -87.54 -4.91 58.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.08 -0.509 . . . . 2.65 111.045 177.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.05 24.5 26.99 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.923 -0.656 . . . . 1.25 111.917 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -99.79 165.2 11.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.932 0.396 . . . . 2.58 110.452 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -107.54 114.9 29.2 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.517 -0.92 . . . . 2.19 108.517 172.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' B' ' 27' ' ' THR . 17.6 m -115.99 147.38 19.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.13 0.491 . . . . 1.48 111.754 -173.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 25.2 m -88.09 110.45 20.66 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.249 -0.887 . . . . 1.5 109.829 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.732 ' HB ' ' O ' ' B' ' 25' ' ' LYS . 31.0 t -87.11 132.45 32.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.179 -0.464 . . . . 1.55 110.025 -176.423 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . 0.505 ' C ' ' H ' ' B' ' 41' ' ' GLU . 83.2 mt -87.09 -19.47 28.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.256 -0.429 . . . . 1.91 111.217 -175.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . 71.99 -30.61 0.21 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.63 0.772 . . . . 2.34 111.488 -178.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.505 ' H ' ' C ' ' B' ' 39' ' ' LEU . 43.8 mt-10 -105.37 155.22 19.32 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.871 -0.788 . . . . 3.59 108.871 176.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.52 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 26.0 m -117.13 117.31 54.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 121.426 0.632 . . . . 2.85 110.69 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . 0.443 ' H ' ' CD2' ' B' ' 90' ' ' LEU . 48.1 m-80 -96.42 99.9 11.53 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.326 -0.852 . . . . 3.25 109.29 176.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 68.5 mt -93.25 -85.0 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.561 -0.29 . . . . 2.98 110.284 -179.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -124.94 -67.93 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.538 -0.542 . . . . 3.91 109.538 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -132.89 46.4 2.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.917 -0.583 . . . . 5.31 109.829 178.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 17.7 t -161.94 125.6 3.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.968 -0.56 . . . . 3.54 109.849 -177.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . 0.52 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 36.0 t -126.81 96.83 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 2.78 110.101 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . 0.498 ' O ' HG23 ' B' ' 42' ' ' VAL . 12.0 p90 -120.61 142.43 49.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.349 0.595 . . . . 4.84 111.512 -178.402 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.443 ' HG2' ' HG2' ' B' ' 41' ' ' GLU . 69.7 mtm180 -83.63 -164.49 0.92 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.278 -0.874 . . . . 5.38 111.379 -177.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' B' ' 52' ' ' TYR . 42.0 tp60 -150.89 -46.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.717 -0.674 . . . . 5.18 110.521 -178.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' TYR . . . . . 0.48 ' HB2' ' O ' ' B' ' 51' ' ' GLN . 49.0 m-85 71.92 123.43 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.847 0.717 . . . . 2.96 109.982 -172.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -96.02 117.41 30.61 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.697 -0.683 . . . . 1.28 110.761 -174.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -83.74 107.58 16.26 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.371 -0.831 . . . . 4.41 110.559 -177.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . 0.581 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 34.9 mt-10 -120.66 116.24 24.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.761 -0.654 . . . . 1.49 110.316 179.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.423 ' HA ' ' HA ' ' B' ' 19' ' ' SER . 59.4 m -95.77 114.2 25.91 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.184 -0.462 . . . . 1.57 109.806 175.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -107.3 140.69 39.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.964 -0.562 . . . . 2.93 110.6 -175.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' CYS . . . . . 0.41 ' SG ' HG23 ' B' ' 82' ' ' THR . 38.4 m -73.59 107.52 5.9 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.566 -0.531 . . . . 1.77 109.566 176.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -83.75 -0.26 50.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.337 0.589 . . . . 3.85 109.954 -179.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -156.39 134.75 11.45 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.272 -0.876 . . . . 2.96 109.221 175.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 16.0 p -83.85 -30.55 26.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.145 0.498 . . . . 3.01 109.814 177.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -141.45 87.21 10.53 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.06 -0.973 . . . . 2.59 108.988 175.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -54.68 -34.1 82.42 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.806 2.338 . . . . 2.81 112.457 -178.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 35.9 m -118.23 155.28 20.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.114 -0.493 . . . . 2.53 109.696 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -79.17 64.27 4.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.524 0.678 . . . . 4.2 110.56 -175.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 24.4 p -177.79 -22.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.912 -1.04 . . . . 4.07 109.704 -178.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.417 ' CA ' ' HB2' ' B' ' 78' ' ' SER . . . 153.46 -115.49 0.68 Allowed Glycine 0 N--CA 1.443 -0.881 0 CA-C-N 115.651 -0.704 . . . . 2.7 111.461 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.435 ' HB3' ' O ' ' B' ' 14' ' ' VAL . 71.5 m -111.42 172.84 6.65 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 110.035 -0.358 . . . . 1.76 110.035 177.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . 0.416 HH21 ' CG ' ' B' ' 16' ' ' ASP . 91.0 mtt180 -65.41 122.05 16.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.611 -0.268 . . . . 4.4 110.796 -175.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 85.89 -0.54 87.83 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 1.61 113.6 171.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . 0.455 HG22 ' H ' ' B' ' 73' ' ' SER . 50.4 mm -78.6 138.01 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.161 0.505 . . . . 2.04 110.335 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -54.64 -37.47 65.71 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.233 -0.894 . . . . 3.32 112.203 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' SER . . . . . 0.455 ' H ' HG22 ' B' ' 71' ' ' ILE . 31.9 t 76.97 -40.24 0.36 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.652 0.781 . . . . 4.99 112.239 175.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -73.77 -40.72 63.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.204 0.526 . . . . 3.33 110.442 -177.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -93.69 -15.11 25.61 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.751 -0.658 . . . . 4.16 111.059 178.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' TRP . . . . . 0.456 ' HB3' ' HB3' ' B' ' 112' ' ' LEU . 90.6 m95 -142.47 115.54 8.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.515 -0.311 . . . . 3.7 111.483 -175.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' ASN . . . . . 0.506 ' HB3' ' O ' ' B' ' 113' ' ' SER . 28.4 t-20 -86.21 136.97 32.98 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.082 -1.081 . . . . 3.0 108.082 170.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.732 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 2.9 m -110.64 144.06 40.13 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.963 0.411 . . . . 2.16 111.99 -170.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . 0.416 ' O ' HG23 ' B' ' 111' ' ' VAL . 78.1 t80 -148.16 134.96 20.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.781 -0.645 . . . . 4.07 109.588 174.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . 0.605 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 72.4 m -88.19 129.82 35.23 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.046 0.451 . . . . 1.67 111.109 -178.322 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.445 ' O ' HG21 ' B' ' 109' ' ' VAL . 63.0 m -137.57 133.81 34.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.871 -0.604 . . . . 2.49 109.792 178.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.41 HG23 ' SG ' ' B' ' 58' ' ' CYS . 24.4 p -81.35 129.57 34.68 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.911 0.386 . . . . 3.09 111.158 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 6.9 t -86.34 140.43 30.06 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.872 -0.788 . . . . 3.17 108.872 174.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -123.81 145.73 48.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.024 0.44 . . . . 4.39 111.534 -170.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' THR . . . . . 0.597 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 11.5 t -128.19 174.0 9.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.515 -0.766 . . . . 1.61 109.455 178.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -117.82 116.89 27.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.012 0.435 . . . . 2.52 110.848 -179.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 21.0 m -114.52 139.76 38.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.642 -0.708 . . . . 1.59 109.968 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -87.57 116.03 25.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.505 0.669 . . . . 4.22 110.683 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -126.9 153.45 45.73 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.296 -0.865 . . . . 1.57 109.989 -178.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . 0.443 ' CD2' ' H ' ' B' ' 43' ' ' ASN . 21.2 tp -73.78 112.75 10.19 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.29 0.567 . . . . 1.87 110.019 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 49.1 p -114.59 159.94 19.86 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.298 -0.864 . . . . 1.44 109.748 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' THR . . . . . 0.499 ' HA ' ' O ' ' B' ' 96' ' ' GLN . 11.3 t -111.79 124.01 51.44 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.547 0.689 . . . . 1.63 111.108 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -106.59 98.03 7.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.275 -0.875 . . . . 2.46 108.714 176.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 68.6 -80.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.432 -0.804 . . . . 3.09 110.424 -176.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -127.99 -13.17 5.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.754 0.312 . . . . 3.76 110.833 177.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 96' ' ' GLN . . . . . 0.499 ' O ' ' HA ' ' B' ' 92' ' ' THR . 2.4 mp0 -85.51 156.06 20.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.398 -0.365 . . . . 3.02 110.587 -175.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -122.23 117.33 25.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.298 -0.41 . . . . 1.8 109.938 176.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.98 144.95 47.68 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.74 0.305 . . . . 1.79 111.325 -175.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -77.12 102.1 6.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.925 -0.58 . . . . 2.87 110.044 178.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -109.15 146.07 34.71 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.908 0.385 . . . . 3.93 111.138 -177.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -83.53 111.46 19.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.522 -0.763 . . . . 2.75 110.073 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 36.2 pt -114.26 149.17 16.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.937 -0.574 . . . . 1.33 110.347 -178.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . 0.597 ' HA ' ' O ' ' B' ' 85' ' ' THR . 33.1 ptt180 -86.66 133.59 33.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.124 -0.489 . . . . 4.28 111.008 -177.051 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 40.7 pt -131.94 151.52 35.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.973 -0.558 . . . . 1.36 110.091 174.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . 0.581 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 35.6 m-20 -86.86 119.66 27.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.218 -0.447 . . . . 1.69 109.834 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 18.3 p -90.7 -39.15 12.6 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.629 -0.26 . . . . 2.65 111.67 -174.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -153.31 157.81 40.65 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.869 0.366 . . . . 1.64 111.094 -177.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . 0.605 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 41.2 t -104.73 110.56 22.94 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.227 -0.657 . . . . 1.6 109.227 176.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.445 HG21 ' O ' ' B' ' 81' ' ' THR . 16.5 m -97.94 153.05 4.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.302 -0.408 . . . . 1.53 110.268 -176.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . 0.732 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 52.7 t -107.77 104.55 14.08 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.517 -0.549 . . . . 1.45 109.517 177.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 79' ' ' TYR . 28.6 m -78.22 134.93 27.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.923 -0.399 . . . . 2.0 109.923 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . 0.456 ' HB3' ' HB3' ' B' ' 76' ' ' TRP . 72.9 mt -112.32 136.96 51.13 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.396 -0.365 . . . . 1.86 111.094 -177.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 113' ' ' SER . . . . . 0.506 ' O ' ' HB3' ' B' ' 77' ' ' ASN . 30.0 p 179.44 114.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.638 -0.71 . . . . 3.01 110.2 173.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 114' ' ' ARG . . . . . 0.424 ' O ' ' HD2' ' B' ' 114' ' ' ARG . 1.6 tmm_? . . . . . 0 C--N 1.321 -0.665 0 N-CA-C 108.188 -1.042 . . . . 7.45 108.188 167.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.965 0.412 . . . . 4.02 110.559 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.2 t -143.09 158.1 43.92 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.851 -0.613 . . . . 2.58 109.353 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.1 m -72.44 -8.38 11.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.814 -0.63 . . . . 1.8 110.832 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.8 t -138.73 138.55 37.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.745 -0.661 . . . . 1.75 109.785 176.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.14 115.8 3.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.926 -0.579 . . . . 2.87 111.032 -178.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.7 m -112.8 142.18 45.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.682 -0.69 . . . . 1.91 111.269 -175.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.517 ' O ' ' HA ' ' A' ' 56' ' ' THR . 4.1 p -118.27 115.34 47.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.303 -0.408 . . . . 1.88 110.795 176.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.1 m -91.98 116.07 28.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.271 -0.422 . . . . 1.95 110.638 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.6 t -119.95 138.42 50.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.19 -0.459 . . . . 1.55 110.79 -177.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -96.71 96.13 8.39 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.783 -0.821 . . . . 1.86 108.783 170.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.6 t -86.13 112.59 22.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.561 -0.745 . . . . 1.41 111.122 -172.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.6 12.32 30.29 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.055 -0.818 . . . . 1.36 111.055 174.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -124.82 30.7 5.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.078 0.466 . . . . 3.02 110.037 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.6 tttp -88.59 102.84 15.34 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.479 -0.563 . . . . 1.64 109.479 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.481 ' O ' ' HA ' ' A' ' 37' ' ' THR . 9.0 t -103.64 -5.94 22.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.574 -0.285 . . . . 2.12 111.46 -176.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.1 p -141.46 133.55 27.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.814 0.34 . . . . 1.54 111.152 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.59 170.03 20.66 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.268 -0.424 . . . . 1.29 110.695 176.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' A' ' 34' ' ' LYS . 9.1 m -97.84 122.5 41.02 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.861 -0.608 . . . . 1.53 110.603 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.84 160.38 23.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.241 -0.891 . . . . 1.85 109.305 175.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.2 tt -58.97 -25.99 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.991 0.424 . . . . 1.74 111.185 -179.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -80.31 -9.63 59.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.339 -0.391 . . . . 2.65 111.391 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.17 13.28 39.74 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.725 -0.75 . . . . 1.25 112.554 178.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 29' ' ' THR . 75.6 mmtt -88.86 155.1 19.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.662 0.268 . . . . 2.58 110.577 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -101.49 115.45 30.55 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.07 -0.715 . . . . 2.19 109.07 175.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.6 m -126.2 158.31 35.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.171 0.51 . . . . 1.48 111.777 -173.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.481 ' HA ' ' O ' ' A' ' 26' ' ' THR . 44.7 m -83.63 112.08 19.7 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.062 -0.972 . . . . 1.5 110.63 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 53.9 t -84.15 135.05 25.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.849 -0.614 . . . . 1.55 110.032 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 68.7 mt -103.51 118.67 37.27 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 115.985 -0.552 . . . . 1.91 109.726 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.96 -14.16 61.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.606 0.717 . . . . 2.35 109.73 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -105.53 114.32 28.42 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 114.63 -1.168 . . . . 3.59 108.233 174.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 49' ' ' PHE . 27.8 m -95.88 108.37 21.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.885 0.85 . . . . 2.85 111.419 -176.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -88.97 99.38 12.37 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.681 -1.145 . . . . 3.25 109.092 176.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.9 mt -85.69 -64.75 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 120.778 -0.369 . . . . 2.98 110.307 -178.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.544 ' N ' HD21 ' A' ' 45' ' ' ASN . 0.0 OUTLIER -163.72 87.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.64 0.734 . . . . 3.91 109.714 177.244 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.4 m120 59.78 40.34 19.67 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.174 -0.921 . . . . 5.31 110.306 -176.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.4 t -164.86 119.37 1.33 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.639 -0.71 . . . . 3.53 109.375 -178.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.5 t -111.84 133.2 58.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.249 -0.432 . . . . 2.78 110.723 -177.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.45 ' O ' HG22 ' A' ' 42' ' ' VAL . 96.2 m-85 -124.47 144.0 50.33 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.384 -0.371 . . . . 4.85 110.268 177.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -106.59 133.53 51.13 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.344 -0.389 . . . . 5.38 110.553 178.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.89 150.69 22.81 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.49 -0.559 . . . . 5.18 109.49 176.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -108.66 159.46 16.72 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.467 -0.333 . . . . 2.96 110.462 -171.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -99.29 133.52 43.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.264 -0.425 . . . . 1.28 110.858 -178.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -85.27 98.87 10.76 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.29 -0.414 . . . . 4.41 110.312 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -114.51 111.13 20.9 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.95 0.405 . . . . 1.49 110.598 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.517 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 91.3 m -99.14 107.28 19.61 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.125 -0.489 . . . . 1.56 109.764 174.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -103.45 168.74 8.97 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.918 -0.583 . . . . 2.93 111.028 -174.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 81.7 m -86.53 125.42 33.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.787 -0.642 . . . . 1.77 109.909 177.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.484 ' NE ' ' HB ' ' A' ' 18' ' ' VAL . 74.1 mtt180 -77.79 -10.65 59.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.128 0.489 . . . . 3.84 110.697 178.03 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -158.09 155.94 30.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.69 -0.686 . . . . 2.96 109.732 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.43 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 27.6 m -86.68 -28.95 22.83 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.352 -0.61 . . . . 3.02 109.352 174.289 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -142.19 94.88 6.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.007 -0.997 . . . . 2.59 109.112 175.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.56 -31.58 94.77 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.579 2.186 . . . . 2.81 112.302 -178.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.0 m -117.96 152.71 19.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.096 -0.705 . . . . 2.53 109.096 175.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -78.19 70.94 4.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.35 0.595 . . . . 4.19 110.658 -175.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.1 t 178.09 -39.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.812 -1.086 . . . . 4.07 109.039 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.444 ' CA ' ' HB2' ' A' ' 78' ' ' SER . . . 179.89 -111.23 0.31 Allowed Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.73 -0.668 . . . . 2.7 111.745 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 86.3 m -123.41 174.33 7.43 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.287 -0.264 . . . . 1.76 110.287 179.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 54.9 mtt-85 -71.29 121.67 18.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.452 -0.34 . . . . 4.4 110.958 -175.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.24 -7.64 80.94 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.737 -0.744 . . . . 1.61 113.357 173.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.401 HG23 ' N ' ' A' ' 73' ' ' SER . 50.1 mm -76.78 135.32 26.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.893 0.378 . . . . 2.04 111.095 -178.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -48.61 -47.85 39.76 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.282 -0.872 . . . . 3.32 111.309 174.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.401 ' N ' HG23 ' A' ' 71' ' ' ILE . 16.7 t 70.83 -1.99 2.45 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.373 -0.831 . . . . 4.99 112.569 169.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -99.12 -40.73 7.85 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.192 0.52 . . . . 3.32 109.818 178.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -92.08 -1.76 57.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.829 -0.623 . . . . 4.16 110.226 177.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 19.6 m-90 -146.31 136.62 23.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.09 -0.505 . . . . 3.71 111.117 -177.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 113' ' ' SER . 85.8 m-20 -88.36 141.03 28.87 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 107.319 -1.363 . . . . 3.0 107.319 164.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.656 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 6.0 m -117.9 142.79 46.94 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.858 0.361 . . . . 2.16 111.315 -173.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.43 ' CE2' ' HB3' ' A' ' 61' ' ' SER . 79.3 t80 -151.94 133.84 14.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.022 -0.536 . . . . 4.07 109.721 177.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 64.2 m -79.3 120.59 23.98 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.15 0.5 . . . . 1.67 110.614 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 38.3 m -125.29 132.43 52.9 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.747 -0.66 . . . . 2.49 109.622 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 107' ' ' ALA . 3.3 p -80.08 135.04 36.25 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.959 0.409 . . . . 3.09 111.444 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.9 m -76.38 124.05 26.93 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.323 -0.621 . . . . 3.17 109.323 176.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -97.94 115.74 28.75 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.347 -0.388 . . . . 4.4 110.163 -176.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.496 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 6.7 t -111.66 157.99 19.8 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.77 -0.826 . . . . 1.61 108.77 177.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.449 ' CE2' ' HB3' ' A' ' 103' ' ' ARG . 95.9 m-85 -107.28 116.92 32.78 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.901 0.381 . . . . 2.52 110.372 -175.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.2 m -112.19 154.96 13.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.981 -0.554 . . . . 1.59 111.459 -176.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -81.4 106.38 13.31 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.203 -0.908 . . . . 4.22 109.93 -178.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.18 145.81 50.91 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.83 0.348 . . . . 1.57 111.06 -178.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.9 tp -80.66 115.81 20.36 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.767 -0.827 . . . . 1.87 108.767 175.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 68.9 p -125.29 149.14 48.34 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.522 -0.308 . . . . 1.44 110.93 -175.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.9 t -120.26 111.65 18.06 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.475 0.655 . . . . 1.63 109.87 175.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -72.73 -37.88 67.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.627 -0.715 . . . . 2.47 110.213 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -135.21 -79.98 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 3.09 110.768 177.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -125.45 -7.98 6.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.565 -0.289 . . . . 3.75 111.774 -176.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -114.62 127.49 55.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.989 0.423 . . . . 3.02 110.969 -175.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -87.06 123.84 32.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.79 -0.641 . . . . 1.8 110.369 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -138.1 146.8 43.32 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.25 -0.432 . . . . 1.79 110.506 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 86.0 m95 -74.6 119.24 18.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.013 -0.54 . . . . 2.88 110.569 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -129.75 169.92 14.51 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.664 -0.698 . . . . 3.92 109.961 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -98.9 118.47 35.73 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.658 -0.701 . . . . 2.74 109.905 174.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 36.8 pt -113.82 144.17 21.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.42 -0.355 . . . . 1.33 110.174 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.496 ' HA ' ' O ' ' A' ' 85' ' ' THR . 38.1 ptt180 -85.01 120.93 27.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.924 -0.58 . . . . 4.27 110.445 -178.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 49.3 pt -113.86 153.03 15.46 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.98 -0.555 . . . . 1.36 110.146 176.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -82.02 93.08 6.9 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.586 -0.894 . . . . 1.69 108.586 178.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.4 t -92.96 -16.23 25.35 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.371 0.508 . . . . 2.66 112.371 -168.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.423 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -155.51 164.05 39.19 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.526 -0.176 . . . . 1.64 110.526 -177.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 42.4 t -124.89 115.94 21.42 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.916 -0.402 . . . . 1.59 109.916 177.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 19.3 m -117.07 167.02 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.054 -0.521 . . . . 1.52 109.947 -178.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.656 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 48.0 t -114.47 119.65 37.59 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.759 -0.459 . . . . 1.45 109.759 176.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 78' ' ' SER . 12.1 m -84.47 146.22 7.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.983 -0.553 . . . . 2.0 109.569 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.7 mt -124.16 136.41 54.17 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.748 -0.381 . . . . 1.86 110.667 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.42 ' O ' ' HB2' ' A' ' 77' ' ' ASN . 46.2 t -179.09 109.62 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.0 -0.545 . . . . 3.01 110.993 174.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 . . . . . 0 C--N 1.321 -0.642 0 N-CA-C 108.841 -0.8 . . . . 7.46 108.841 164.841 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 . . . . . 0 CA--C 1.517 -0.292 0 CA-C-O 121.038 0.447 . . . . 4.01 110.514 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 37.8 t -143.31 157.9 44.09 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.678 -0.692 . . . . 2.58 109.36 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 27.9 m -72.21 -8.27 11.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.782 -0.645 . . . . 1.81 110.944 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 48.9 t -138.78 138.51 37.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.7 -0.682 . . . . 1.75 109.85 176.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.14 115.8 3.43 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.981 -0.554 . . . . 2.87 111.167 -178.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 19.6 m -112.97 142.31 45.8 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.752 -0.658 . . . . 1.91 111.095 -174.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.521 ' O ' ' HA ' ' B' ' 56' ' ' THR . 3.9 p -118.31 115.59 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.18 -0.464 . . . . 1.88 110.865 176.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 49.7 m -92.32 115.99 28.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.437 -0.347 . . . . 1.95 110.63 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 46.3 t -119.67 138.46 50.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.293 -0.412 . . . . 1.55 110.839 -177.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -96.69 96.3 8.52 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.716 -0.846 . . . . 1.86 108.716 170.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 21.7 t -86.23 112.64 22.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.717 -0.674 . . . . 1.41 111.19 -172.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.55 12.4 30.43 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.905 -0.878 . . . . 1.36 110.905 174.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -125.05 30.75 5.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.11 0.481 . . . . 3.01 110.151 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 40.8 tttp -88.54 102.26 14.75 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.058 -0.519 . . . . 1.64 109.612 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' THR . . . . . 0.477 ' O ' ' HA ' ' B' ' 37' ' ' THR . 8.8 t -103.05 -5.63 23.14 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.468 -0.333 . . . . 2.11 111.539 -176.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.1 p -141.95 133.91 27.37 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.714 0.292 . . . . 1.53 110.978 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.78 170.3 20.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.137 -0.483 . . . . 1.29 110.546 176.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' THR . . . . . 0.443 ' HA ' ' O ' ' B' ' 34' ' ' LYS . 9.4 m -98.2 122.46 41.38 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.795 -0.639 . . . . 1.52 110.698 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -66.0 160.48 23.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.245 -0.889 . . . . 1.84 109.373 175.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 13.3 tt -58.56 -26.64 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.954 0.407 . . . . 1.74 111.16 -179.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -79.76 -10.27 59.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.273 -0.421 . . . . 2.65 111.254 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.84 12.95 38.77 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.711 -0.756 . . . . 1.25 112.618 178.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.443 ' O ' ' HA ' ' B' ' 29' ' ' THR . 75.7 mmtt -88.56 155.36 19.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.732 0.301 . . . . 2.58 110.578 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -101.57 115.36 30.33 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.156 -0.683 . . . . 2.19 109.156 175.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 29.5 m -126.17 158.17 35.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.144 0.497 . . . . 1.48 111.679 -173.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' THR . . . . . 0.477 ' HA ' ' O ' ' B' ' 26' ' ' THR . 40.3 m -83.43 112.06 19.6 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.094 -0.957 . . . . 1.5 110.621 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 54.3 t -84.06 135.01 25.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.868 -0.605 . . . . 1.55 109.945 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 68.5 mt -103.46 119.03 38.09 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.106 -0.497 . . . . 1.91 109.717 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.52 -13.68 60.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.69 0.757 . . . . 2.34 109.784 177.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -105.73 114.23 28.26 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 114.627 -1.17 . . . . 3.59 108.154 174.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.438 HG22 ' O ' ' B' ' 49' ' ' PHE . 27.8 m -95.86 108.36 21.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.874 0.845 . . . . 2.85 111.485 -176.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -88.93 99.46 12.42 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.755 -1.111 . . . . 3.25 109.049 176.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 63.1 mt -85.83 -64.88 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.867 0.365 . . . . 2.98 110.251 -178.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . 0.539 ' N ' HD21 ' B' ' 45' ' ' ASN . 0.0 OUTLIER -163.46 87.4 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.846 -0.616 . . . . 3.91 109.726 177.172 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 19.7 m120 59.72 40.58 19.62 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.313 -0.858 . . . . 5.31 110.439 -176.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 15.6 t -165.23 118.45 1.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.592 -0.731 . . . . 3.54 109.372 -178.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 40.2 t -111.02 133.66 55.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.092 -0.504 . . . . 2.78 110.567 -178.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . 0.438 ' O ' HG22 ' B' ' 42' ' ' VAL . 96.2 m-85 -124.72 144.28 50.31 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.339 -0.391 . . . . 4.84 110.249 177.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -106.6 133.8 50.73 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.354 -0.384 . . . . 5.38 110.637 177.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.22 150.93 22.4 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.565 -0.532 . . . . 5.18 109.565 176.51 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -108.9 159.8 16.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.488 -0.324 . . . . 2.96 110.54 -171.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -99.56 133.45 43.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.302 -0.408 . . . . 1.28 110.791 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -85.22 98.87 10.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.404 -0.362 . . . . 4.41 110.289 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -114.49 111.17 20.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.991 0.424 . . . . 1.49 110.741 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.521 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 90.3 m -99.14 107.55 19.94 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.078 -0.51 . . . . 1.57 109.627 174.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -103.68 168.83 8.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.926 -0.579 . . . . 2.93 111.033 -174.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 80.4 m -86.74 125.43 33.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.712 -0.676 . . . . 1.77 109.985 177.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . 0.483 ' NE ' ' HB ' ' B' ' 18' ' ' VAL . 74.0 mtt180 -77.52 -11.23 59.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.032 0.444 . . . . 3.85 110.628 178.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -157.66 156.09 31.15 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.691 -0.686 . . . . 2.96 109.756 178.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' SER . . . . . 0.428 ' HB3' ' CE2' ' B' ' 79' ' ' TYR . 25.3 m -86.78 -28.66 22.85 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.39 -0.596 . . . . 3.01 109.39 174.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -142.55 94.93 6.6 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.024 -0.989 . . . . 2.59 109.096 175.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -58.46 -31.97 95.33 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.501 2.134 . . . . 2.81 112.162 -178.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 28.7 m -117.4 152.84 19.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.777 -0.647 . . . . 2.53 109.336 175.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -78.52 71.37 4.98 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.44 0.638 . . . . 4.2 110.573 -175.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 21.4 t 177.86 -40.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.634 -1.166 . . . . 4.07 108.995 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.452 ' CA ' ' HB2' ' B' ' 78' ' ' SER . . . 179.91 -111.39 0.31 Allowed Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.668 -0.697 . . . . 2.7 111.772 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 86.0 m -123.23 174.71 7.11 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.336 -0.246 . . . . 1.76 110.336 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 54.8 mtt180 -71.56 122.14 19.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.413 -0.358 . . . . 4.4 110.872 -175.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.94 -7.96 79.58 Favored Glycine 0 CA--C 1.517 0.18 0 C-N-CA 120.878 -0.677 . . . . 1.61 113.47 173.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . 0.416 HG23 ' N ' ' B' ' 73' ' ' SER . 50.3 mm -76.74 135.06 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.054 0.454 . . . . 2.04 111.06 -178.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -48.41 -47.82 37.51 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.112 -0.949 . . . . 3.32 111.401 174.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' SER . . . . . 0.416 ' N ' HG23 ' B' ' 71' ' ' ILE . 16.3 t 70.83 -2.12 2.4 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.397 -0.819 . . . . 4.99 112.672 169.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -99.06 -40.79 7.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.174 0.511 . . . . 3.33 109.735 178.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -91.89 -2.2 56.94 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.799 -0.637 . . . . 4.16 110.232 177.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . 19.7 m-90 -146.04 136.47 23.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 3.7 111.165 -176.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' B' ' 113' ' ' SER . 86.0 m-20 -88.19 140.95 28.96 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.253 -1.388 . . . . 3.0 107.253 164.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.659 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 5.9 m -117.75 143.05 46.59 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.799 0.333 . . . . 2.16 111.262 -173.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . 0.428 ' CE2' ' HB3' ' B' ' 61' ' ' SER . 78.9 t80 -152.02 134.0 14.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.072 -0.513 . . . . 4.07 109.732 177.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 64.1 m -79.64 120.44 23.97 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.007 0.432 . . . . 1.67 110.572 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 37.4 m -125.18 132.93 52.95 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.782 -0.645 . . . . 2.49 109.553 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' B' ' 107' ' ' ALA . 3.1 p -80.62 135.03 35.98 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.119 0.485 . . . . 3.09 111.289 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 7.0 m -76.26 123.95 26.72 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 109.346 -0.613 . . . . 3.17 109.346 176.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -97.95 116.01 29.31 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.245 -0.434 . . . . 4.39 110.08 -176.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' THR . . . . . 0.504 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 6.8 t -111.96 157.92 20.12 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.855 -0.794 . . . . 1.61 108.855 177.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.442 ' CE2' ' HB3' ' B' ' 103' ' ' ARG . 96.3 m-85 -107.21 116.73 32.45 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.911 0.386 . . . . 2.52 110.437 -175.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 22.8 m -112.04 155.02 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.932 -0.576 . . . . 1.59 111.368 -176.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -81.62 106.48 13.6 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.139 -0.937 . . . . 4.22 109.815 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.24 145.63 50.98 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.41 -0.359 . . . . 1.57 111.022 -178.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 25.0 tp -80.4 115.78 20.12 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.81 -0.811 . . . . 1.87 108.81 175.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 70.8 p -125.38 148.95 48.57 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 120.678 0.275 . . . . 1.44 110.875 -175.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 5.0 t -120.13 111.83 18.35 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.282 0.563 . . . . 1.63 109.794 175.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -72.92 -37.85 67.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.625 -0.716 . . . . 2.46 110.196 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -134.9 -80.19 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.173 -0.467 . . . . 3.09 110.868 177.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -125.39 -8.04 6.95 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.807 0.299 . . . . 3.76 111.807 -176.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -114.65 127.21 55.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.976 0.417 . . . . 3.02 110.961 -175.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.84 124.26 32.88 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.887 -0.597 . . . . 1.8 110.341 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -138.26 146.97 43.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.265 -0.425 . . . . 1.79 110.423 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -74.91 118.91 18.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.06 -0.518 . . . . 2.87 110.626 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -129.48 169.54 14.84 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.773 -0.649 . . . . 3.93 109.997 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -98.54 118.46 35.28 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.736 -0.665 . . . . 2.75 110.017 174.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 37.1 pt -113.88 144.14 22.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.883 0.373 . . . . 1.33 110.175 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . 0.504 ' HA ' ' O ' ' B' ' 85' ' ' THR . 37.9 ptt180 -85.04 120.7 26.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.936 -0.575 . . . . 4.28 110.364 -178.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 48.9 pt -113.72 152.89 15.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 116.038 -0.528 . . . . 1.36 110.129 176.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -81.7 93.13 6.72 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.656 -0.868 . . . . 1.69 108.656 177.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 10.3 t -92.9 -16.41 25.24 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.317 0.488 . . . . 2.65 112.317 -168.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . 0.418 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -155.44 163.99 39.3 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.542 -0.17 . . . . 1.64 110.542 -177.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 42.0 t -124.78 116.02 21.63 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.897 -0.408 . . . . 1.6 109.897 177.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 19.3 m -117.1 167.18 10.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.121 -0.49 . . . . 1.53 109.963 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . 0.659 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 47.1 t -114.63 119.78 37.91 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.715 -0.476 . . . . 1.45 109.715 176.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' B' ' 78' ' ' SER . 11.9 m -84.45 146.36 6.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.935 -0.575 . . . . 2.0 109.519 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 83.0 mt -124.36 136.31 53.99 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.769 -0.372 . . . . 1.86 110.579 -179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 113' ' ' SER . . . . . 0.431 ' O ' ' HB2' ' B' ' 77' ' ' ASN . 48.4 t -179.06 109.71 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.06 -0.518 . . . . 3.01 111.054 174.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 . . . . . 0 C--N 1.322 -0.614 0 N-CA-C 108.881 -0.785 . . . . 7.45 108.881 164.895 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.453 ' HB2' ' HB ' ' B' ' 111' ' ' VAL . 23.6 m-85 . . . . . 0 CA--C 1.52 -0.183 0 CA-C-O 120.746 0.307 . . . . 4.02 110.425 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.2 t -150.3 147.21 27.36 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.451 -0.574 . . . . 2.58 109.451 176.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.5 m -69.58 -14.41 18.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.015 -0.539 . . . . 1.8 110.628 177.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.2 m -113.89 136.73 52.57 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.112 -0.949 . . . . 1.75 110.115 177.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -65.6 114.15 4.73 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.347 -0.612 . . . . 2.87 109.347 176.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.5 m -118.02 135.27 54.27 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.582 -0.735 . . . . 1.91 110.502 -173.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.7 p -116.76 114.77 46.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 116.178 -0.465 . . . . 1.88 110.143 177.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 57.6 m -96.3 119.63 35.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.178 -0.465 . . . . 1.95 110.212 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.6 t -119.54 137.8 52.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.922 -0.581 . . . . 1.55 110.267 -178.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 87.8 m95 -99.04 95.45 7.14 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.466 -0.939 . . . . 1.86 108.466 171.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.498 ' HB ' ' HB2' ' A' ' 53' ' ' PHE . 41.7 t -79.17 135.66 25.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 116.042 -0.526 . . . . 1.41 109.831 -176.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -100.82 -7.67 50.16 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.554 -0.831 . . . . 1.36 112.688 -177.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -148.55 105.12 3.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.085 0.469 . . . . 3.02 111.023 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.578 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 87.9 tttt -128.33 100.87 5.98 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.635 -0.876 . . . . 1.64 108.635 174.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 37' ' ' THR . 8.9 t -81.18 -13.32 58.71 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.797 0.666 . . . . 2.12 112.797 -168.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -143.11 136.3 28.13 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 122.234 -0.291 . . . . 1.54 111.122 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -148.14 170.2 18.35 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.005 -0.543 . . . . 1.29 110.309 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.437 ' HB ' ' HG2' ' A' ' 103' ' ' ARG . 14.4 m -103.01 120.47 40.69 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.241 -0.436 . . . . 1.53 110.37 179.266 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.43 ' OD1' ' HB3' ' A' ' 100' ' ' ARG . 12.6 t70 -67.88 159.58 30.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.959 -0.564 . . . . 1.85 109.592 176.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.3 tt -55.34 -27.49 20.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.962 0.41 . . . . 1.74 111.704 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -78.87 -11.65 60.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.761 0.315 . . . . 2.65 111.055 -178.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.5 25.44 10.9 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.905 -0.664 . . . . 1.25 112.372 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -102.42 144.05 31.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.7 0.286 . . . . 2.58 110.843 -179.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -87.8 115.38 25.21 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.069 -0.715 . . . . 2.19 109.069 174.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.9 m -123.05 149.3 26.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 120.951 0.405 . . . . 1.48 111.714 -175.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 26' ' ' THR . 22.4 m -82.77 109.45 16.93 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.333 -0.849 . . . . 1.5 109.743 177.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.578 ' HB ' ' O ' ' A' ' 25' ' ' LYS . 48.5 t -88.57 134.96 26.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.92 -0.582 . . . . 1.55 110.753 -175.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 41.7 mt -103.06 119.76 39.43 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.948 -0.569 . . . . 1.91 109.558 178.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.91 -22.03 63.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.264 0.554 . . . . 2.35 110.287 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.413 ' OE1' ' HB3' ' A' ' 50' ' ' ARG . 11.6 mm-40 -105.29 115.55 30.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.914 -1.039 . . . . 3.59 108.524 176.154 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.505 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 20.3 m -101.87 127.99 54.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 C-N-CA 120.638 -0.425 . . . . 2.85 110.494 -178.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -102.98 117.31 34.31 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.531 0.682 . . . . 3.25 110.592 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 52.4 mt -118.06 88.31 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.554 -0.748 . . . . 2.98 109.243 175.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.469 ' N ' HD21 ' A' ' 45' ' ' ASN . 0.9 OUTLIER 64.23 53.97 1.68 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.85 -0.614 . . . . 3.91 110.036 -178.713 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.2 m120 73.44 -12.12 0.85 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.055 -0.975 . . . . 5.31 112.115 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.5 m -84.49 113.89 21.54 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.079 -0.712 . . . . 3.53 109.079 175.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.505 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 41.9 t -112.84 130.06 67.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.106 -0.497 . . . . 2.78 110.715 -175.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.418 ' O ' HG23 ' A' ' 42' ' ' VAL . 49.8 p90 -139.04 154.22 48.19 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.0 -0.741 . . . . 4.85 109.0 172.416 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.413 ' HB3' ' OE1' ' A' ' 41' ' ' GLU . 35.7 ptt180 -97.1 153.58 17.87 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.209 0.528 . . . . 5.38 111.355 -173.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -117.68 158.25 25.03 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.562 -0.745 . . . . 5.18 109.908 176.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -117.51 138.3 51.98 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.313 -0.625 . . . . 2.96 109.313 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.498 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 28.5 m-85 -98.7 109.4 22.16 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.847 -0.427 . . . . 1.28 109.847 -179.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -84.24 99.08 10.33 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.09 -0.504 . . . . 4.41 109.955 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.468 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 23.8 mt-10 -112.58 112.09 23.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.093 -0.503 . . . . 1.49 110.642 -178.326 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.4 m -99.42 108.74 21.29 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.175 -0.676 . . . . 1.56 109.175 174.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -110.26 152.23 26.39 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.285 0.564 . . . . 2.93 111.505 -171.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 51.4 m -83.56 93.26 7.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.198 -0.91 . . . . 1.77 109.64 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -70.19 -22.6 62.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.004 0.43 . . . . 3.84 110.303 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -134.25 103.01 5.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.74 -0.664 . . . . 2.96 109.552 173.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.427 ' HA ' ' HB2' ' A' ' 80' ' ' CYS . 26.2 t -74.39 -26.72 60.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.04 0.448 . . . . 3.02 109.976 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -132.85 82.37 55.73 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.813 -0.63 . . . . 2.59 109.54 175.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -56.51 -33.7 93.18 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.476 2.117 . . . . 2.81 112.291 178.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.2 m -109.78 -177.3 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.383 0 C-N-CA 121.066 -0.253 . . . . 2.53 110.579 176.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -49.88 -41.81 46.45 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 113.089 0.774 . . . . 4.19 113.089 -173.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.2 m -150.05 53.13 0.91 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 121.966 -0.459 . . . . 4.07 111.903 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.82 -150.21 22.17 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 119.751 -1.214 . . . . 2.7 113.147 174.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 36.1 m -94.01 166.02 12.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.689 0.281 . . . . 1.76 110.617 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -69.78 122.2 18.74 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.407 -0.36 . . . . 4.4 110.745 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 103.26 -25.93 25.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.034 -0.603 . . . . 1.61 112.266 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 51.2 mm -74.19 135.76 26.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.854 0.359 . . . . 2.04 111.378 -176.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -86.24 105.63 16.75 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.456 -0.572 . . . . 3.32 109.456 176.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' A' ' 76' ' ' TRP . 30.2 m -60.81 -21.99 63.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.038 -0.528 . . . . 4.99 111.841 -176.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -76.17 -28.59 57.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.526 -0.307 . . . . 3.32 111.134 178.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.512 ' O ' ' HB3' ' A' ' 114' ' ' ARG . 19.4 m-70 -95.99 -26.47 15.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.468 -0.333 . . . . 4.16 110.946 179.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.47 ' O ' ' HA ' ' A' ' 73' ' ' SER . 93.5 m95 -143.31 128.27 18.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 3.71 110.874 -179.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -81.58 134.16 35.47 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 106.489 -1.671 . . . . 3.0 106.489 167.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.8 t -139.98 148.26 41.64 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.209 -0.596 . . . . 2.16 112.369 -165.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.54 ' O ' HG21 ' A' ' 111' ' ' VAL . 38.8 p90 -165.37 160.28 17.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.995 -1.002 . . . . 4.07 108.63 172.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.427 ' HB2' ' HA ' ' A' ' 61' ' ' SER . 33.5 m -99.81 133.19 44.52 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.456 -0.338 . . . . 1.67 110.798 -177.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.8 t -131.84 147.51 52.49 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.847 -0.615 . . . . 2.49 109.584 -178.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.3 p -84.5 144.46 28.7 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.12 0.486 . . . . 3.09 111.969 -176.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 17.2 m -97.79 128.16 44.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.829 -0.623 . . . . 3.17 109.574 175.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 18.1 p-80 -104.11 135.69 45.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.914 0.388 . . . . 4.4 111.086 -176.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.592 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 13.9 t -116.06 171.28 7.9 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.707 -0.849 . . . . 1.61 108.707 175.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -117.47 116.99 28.24 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.992 0.425 . . . . 2.52 110.942 -174.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.1 m -111.66 149.37 14.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.803 -0.635 . . . . 1.59 111.11 -177.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -75.61 114.9 14.72 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.769 -0.65 . . . . 4.22 110.445 179.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.89 146.68 50.55 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.175 -0.466 . . . . 1.57 110.446 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 28.9 tp -82.13 109.18 16.2 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.464 -0.939 . . . . 1.87 108.464 175.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 76.9 p -115.84 162.34 17.46 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 116.107 -0.497 . . . . 1.44 111.062 -175.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.9 t -136.32 137.71 40.93 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 109.617 -0.512 . . . . 1.63 109.617 175.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -103.69 -10.5 18.31 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.881 0.372 . . . . 2.47 110.332 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.501 ' HG3' ' H ' ' A' ' 95' ' ' LYS . 7.0 pt-20 -162.26 -58.81 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.934 -0.576 . . . . 3.09 110.905 176.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.501 ' H ' ' HG3' ' A' ' 94' ' ' GLU . 99.7 mttt -145.6 -54.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.771 0.319 . . . . 3.75 110.97 -177.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 30.1 tp60 -68.55 112.33 5.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.303 -0.408 . . . . 3.02 111.071 -178.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.88 137.49 43.74 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.947 -0.57 . . . . 1.8 110.2 177.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.76 151.25 37.66 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.25 -0.432 . . . . 1.79 110.542 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -81.87 121.6 26.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.169 -0.469 . . . . 2.88 111.058 -178.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.43 ' HB3' ' OD1' ' A' ' 30' ' ' ASP . 24.9 mmt180 -128.33 176.54 7.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.849 -0.614 . . . . 3.92 110.318 179.128 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -113.94 112.79 23.9 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.234 -0.654 . . . . 2.74 109.234 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 42.6 pt -113.2 146.82 17.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.134 0.492 . . . . 1.33 111.007 -174.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.592 ' HA ' ' O ' ' A' ' 85' ' ' THR . 12.5 ptm180 -78.45 131.23 36.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.505 -0.771 . . . . 4.27 111.16 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 44.5 pt -127.37 136.01 61.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.686 -0.688 . . . . 1.36 109.252 168.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.468 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 10.1 m-20 -75.67 105.78 6.89 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.278 -0.638 . . . . 1.69 109.278 178.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.0 t -103.84 -8.82 19.46 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.778 -0.646 . . . . 2.66 112.13 -167.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -156.92 164.39 38.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.585 0.231 . . . . 1.64 111.135 -178.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 46.9 t -126.95 120.52 29.31 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.448 -0.575 . . . . 1.59 109.448 178.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 25.2 m -117.62 160.57 17.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.832 0.349 . . . . 1.52 111.065 -175.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 41.7 t -106.42 122.2 45.8 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.972 -0.558 . . . . 1.45 110.542 -178.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.54 HG21 ' O ' ' A' ' 79' ' ' TYR . 14.7 m -94.69 148.39 5.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 C-N-CA 121.117 -0.233 . . . . 2.0 110.629 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.417 HD21 ' O ' ' A' ' 111' ' ' VAL . 67.8 mt -128.07 136.7 51.57 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.864 -0.421 . . . . 1.86 109.864 176.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 11.6 p -177.01 87.54 0.03 OUTLIER 'General case' 0 C--O 1.219 -0.5 0 N-CA-C 112.182 0.438 . . . . 3.01 112.182 175.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.512 ' HB3' ' O ' ' A' ' 75' ' ' HIS . 6.9 tpm_? . . . . . 0 C--N 1.324 -0.525 0 O-C-N 121.009 -1.057 . . . . 7.46 109.924 162.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . 0.469 ' HB2' ' HB ' ' A' ' 111' ' ' VAL . 23.6 m-85 . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 120.797 0.332 . . . . 4.01 110.438 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 37.2 t -150.51 146.81 26.84 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.443 -0.576 . . . . 2.58 109.443 176.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.6 m -69.03 -14.89 19.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 115.95 -0.568 . . . . 1.81 110.502 178.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 81.8 m -113.18 136.77 52.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.266 -0.879 . . . . 1.75 110.116 177.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -65.77 113.82 4.59 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 109.314 -0.624 . . . . 2.87 109.314 176.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 19.2 m -117.54 135.95 53.59 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.543 -0.753 . . . . 1.91 110.449 -174.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 3.7 p -117.42 114.8 46.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.092 0.473 . . . . 1.88 110.132 176.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 61.4 m -96.03 119.62 34.85 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.147 -0.478 . . . . 1.95 110.228 179.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 59.9 t -119.37 137.84 52.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 116.041 -0.527 . . . . 1.55 110.314 -178.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 87.4 m95 -99.22 95.59 7.18 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.477 -0.935 . . . . 1.86 108.477 171.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . 0.482 ' HB ' ' HB2' ' B' ' 53' ' ' PHE . 41.8 t -79.09 135.56 25.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.855 -0.611 . . . . 1.41 109.827 -176.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -100.75 -7.61 50.45 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.544 -0.836 . . . . 1.36 112.597 -177.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -148.68 105.52 3.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.898 0.38 . . . . 3.01 111.096 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.558 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 88.1 tttt -128.72 100.87 5.88 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.641 -0.874 . . . . 1.64 108.641 174.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' THR . . . . . 0.419 ' O ' ' HA ' ' B' ' 37' ' ' THR . 9.3 t -81.3 -13.3 58.58 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.713 0.634 . . . . 2.11 112.713 -168.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.2 p -143.07 135.94 27.83 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.769 0.318 . . . . 1.53 111.157 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.83 169.76 19.1 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.974 -0.557 . . . . 1.29 110.344 177.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' THR . . . . . 0.427 ' HB ' ' HG2' ' B' ' 103' ' ' ARG . 12.9 m -102.46 120.23 40.16 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.152 -0.476 . . . . 1.52 110.496 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . 0.429 ' OD1' ' HB3' ' B' ' 100' ' ' ARG . 12.7 t70 -67.73 159.82 29.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.88 -0.6 . . . . 1.84 109.66 176.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 11.3 tt -55.26 -28.27 21.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.883 0.373 . . . . 1.74 111.513 -179.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -78.46 -11.61 59.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.322 -0.399 . . . . 2.65 110.996 -177.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.45 25.61 10.78 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.823 -0.703 . . . . 1.25 112.217 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -102.44 143.65 31.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.553 0.216 . . . . 2.58 110.853 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -87.25 115.53 24.71 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.035 -0.728 . . . . 2.19 109.035 174.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 18.4 m -123.12 149.19 26.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 120.916 0.388 . . . . 1.48 111.657 -175.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' B' ' 26' ' ' THR . 21.0 m -82.62 109.74 17.07 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.393 -0.822 . . . . 1.5 109.635 177.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.558 ' HB ' ' O ' ' B' ' 25' ' ' LYS . 48.6 t -88.77 135.04 26.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.939 -0.573 . . . . 1.55 110.734 -175.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 42.5 mt -103.27 119.68 39.33 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.525 -0.546 . . . . 1.91 109.525 178.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.0 -21.85 63.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.225 0.536 . . . . 2.34 110.218 179.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.409 ' OE1' ' HB3' ' B' ' 50' ' ' ARG . 10.9 mm-40 -105.14 115.44 30.27 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.935 -1.029 . . . . 3.59 108.535 176.035 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 20.1 m -102.01 128.08 54.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 120.529 -0.469 . . . . 2.85 110.453 -178.242 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -102.92 117.42 34.57 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.424 0.63 . . . . 3.25 110.612 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 52.2 mt -118.11 88.68 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.638 -0.71 . . . . 2.98 109.159 175.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . 0.482 ' N ' HD21 ' B' ' 45' ' ' ASN . 0.9 OUTLIER 63.96 54.03 1.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.697 -0.683 . . . . 3.91 110.033 -178.905 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 15.4 m120 73.48 -12.29 0.84 Allowed 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 114.993 -1.003 . . . . 5.31 112.254 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 30.2 m -84.25 113.8 21.37 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.028 -0.73 . . . . 3.54 109.028 175.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . 0.501 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 41.7 t -112.96 129.38 68.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.105 -0.498 . . . . 2.78 110.857 -175.521 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . 0.407 ' O ' HG23 ' B' ' 42' ' ' VAL . 49.8 p90 -138.54 154.36 48.75 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.019 -0.734 . . . . 4.84 109.019 172.494 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.409 ' HB3' ' OE1' ' B' ' 41' ' ' GLU . 35.2 ptt180 -97.45 153.33 18.19 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.107 0.48 . . . . 5.38 111.319 -173.453 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -117.32 158.11 24.96 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.644 -0.707 . . . . 5.18 109.96 176.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -117.48 138.4 51.89 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.28 -0.637 . . . . 2.96 109.28 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . 0.482 ' HB2' ' HB ' ' B' ' 22' ' ' VAL . 28.4 m-85 -98.83 109.48 22.23 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.883 -0.414 . . . . 1.28 109.883 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -84.2 99.13 10.33 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.971 -0.559 . . . . 4.41 109.962 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 23.8 mt-10 -112.69 112.29 23.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.134 -0.485 . . . . 1.49 110.608 -178.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 48.5 m -99.61 108.66 21.11 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.095 -0.706 . . . . 1.57 109.095 175.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -110.2 152.35 26.19 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.031 -0.531 . . . . 2.93 111.462 -171.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 45.7 m -83.55 93.11 7.77 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.283 -0.872 . . . . 1.77 109.578 178.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -69.87 -23.28 63.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.175 0.512 . . . . 3.85 110.28 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -133.77 102.98 5.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.761 -0.654 . . . . 2.96 109.577 173.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' SER . . . . . 0.442 ' HA ' ' HB2' ' B' ' 80' ' ' CYS . 26.1 t -74.54 -26.53 60.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.214 0.531 . . . . 3.01 110.06 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -132.92 82.32 55.53 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.722 -0.672 . . . . 2.59 109.709 175.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -56.44 -33.68 92.74 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.507 2.138 . . . . 2.81 112.315 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 35.4 m -109.86 -177.9 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.705 -0.225 . . . . 2.53 110.554 176.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -49.44 -41.73 40.83 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.244 0.831 . . . . 4.2 113.244 -173.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 48.8 m -149.99 53.1 0.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 O-C-N 122.061 -0.399 . . . . 4.07 111.877 -177.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.93 -150.04 21.95 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 119.852 -1.166 . . . . 2.7 113.147 174.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 35.6 m -93.99 166.15 12.3 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.73 0.312 . . . . 1.76 110.613 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -69.83 121.96 18.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.349 -0.387 . . . . 4.4 110.624 -177.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 103.62 -26.2 24.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.967 -0.635 . . . . 1.61 112.408 178.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 51.4 mm -74.37 135.35 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.861 0.362 . . . . 2.04 111.429 -176.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -85.77 105.59 16.41 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.425 -0.583 . . . . 3.32 109.425 176.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' SER . . . . . 0.457 ' HA ' ' O ' ' B' ' 76' ' ' TRP . 35.2 m -60.26 -22.34 62.96 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.19 -0.459 . . . . 4.99 111.835 -176.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -76.03 -28.65 57.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.679 0.276 . . . . 3.33 111.014 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' HIS . . . . . 0.532 ' O ' ' HB3' ' B' ' 114' ' ' ARG . 20.1 m-70 -95.81 -27.01 15.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.845 0.355 . . . . 4.16 110.869 179.481 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' TRP . . . . . 0.457 ' O ' ' HA ' ' B' ' 73' ' ' SER . 93.8 m95 -142.99 128.08 18.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 3.7 110.908 -178.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -81.59 134.25 35.47 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 106.533 -1.655 . . . . 3.0 106.533 167.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 47.3 t -140.15 148.03 41.04 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.432 0.634 . . . . 2.16 112.263 -164.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . 0.535 ' O ' HG21 ' B' ' 111' ' ' VAL . 38.4 p90 -165.16 160.32 18.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.805 -1.089 . . . . 4.07 108.727 172.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . 0.442 ' HB2' ' HA ' ' B' ' 61' ' ' SER . 33.5 m -99.84 133.48 44.14 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.495 -0.321 . . . . 1.67 110.804 -177.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 13.6 t -132.24 147.61 52.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.818 -0.628 . . . . 2.49 109.673 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.5 p -84.89 144.05 28.63 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.121 0.486 . . . . 3.09 111.945 -176.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 15.9 m -97.34 128.19 43.95 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.823 -0.626 . . . . 3.17 109.633 175.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 17.7 p-80 -104.25 135.69 45.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.008 0.432 . . . . 4.39 111.009 -176.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' THR . . . . . 0.593 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 14.0 t -116.06 171.4 7.82 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.646 -0.872 . . . . 1.61 108.646 175.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -117.6 116.77 27.75 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.027 0.441 . . . . 2.52 110.853 -174.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 23.1 m -111.58 149.41 14.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.857 -0.611 . . . . 1.59 111.048 -177.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -75.7 114.96 14.88 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.89 -0.595 . . . . 4.22 110.41 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.81 146.87 50.46 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.18 -0.463 . . . . 1.57 110.379 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 29.4 tp -82.44 109.31 16.56 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 108.431 -0.952 . . . . 1.87 108.431 175.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 77.0 p -115.73 162.3 17.47 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 116.222 -0.444 . . . . 1.44 111.136 -175.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 7.9 t -136.13 137.77 41.33 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 109.706 -0.479 . . . . 1.63 109.706 175.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -103.85 -10.27 18.35 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.309 -0.405 . . . . 2.46 110.226 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . 0.504 ' HG3' ' H ' ' B' ' 95' ' ' LYS . 6.8 pt-20 -162.78 -58.27 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.024 -0.534 . . . . 3.09 111.051 177.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 95' ' ' LYS . . . . . 0.504 ' H ' ' HG3' ' B' ' 94' ' ' GLU . 99.6 mttt -145.93 -54.38 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.635 0.255 . . . . 3.76 110.967 -177.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -68.51 112.44 5.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 3.02 111.112 -178.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.22 137.19 42.9 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.876 -0.602 . . . . 1.8 110.11 177.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.49 150.91 37.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.282 -0.417 . . . . 1.79 110.348 -178.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -81.62 121.77 26.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.231 -0.441 . . . . 2.87 111.166 -178.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 100' ' ' ARG . . . . . 0.429 ' HB3' ' OD1' ' B' ' 30' ' ' ASP . 24.7 mmt180 -128.45 176.52 7.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.906 -0.588 . . . . 3.93 110.238 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -113.95 112.89 24.04 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.213 -0.662 . . . . 2.75 109.213 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 42.5 pt -113.16 146.88 17.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.106 0.479 . . . . 1.33 111.062 -174.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . 0.593 ' HA ' ' O ' ' B' ' 85' ' ' THR . 12.6 ptm180 -78.29 131.55 37.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.45 -0.795 . . . . 4.28 111.152 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 44.5 pt -127.73 135.66 62.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.475 -0.784 . . . . 1.36 109.277 168.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . 0.46 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 10.8 m-20 -75.27 105.85 6.5 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.255 -0.646 . . . . 1.69 109.255 178.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 6.0 t -103.83 -8.96 19.37 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.783 -0.644 . . . . 2.65 112.138 -167.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -156.79 164.41 38.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.646 0.26 . . . . 1.64 111.116 -178.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 46.7 t -126.96 120.58 29.44 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.459 -0.571 . . . . 1.6 109.459 178.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 24.7 m -117.61 160.73 16.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.925 0.393 . . . . 1.53 111.07 -175.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 41.9 t -106.53 122.23 45.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.933 -0.576 . . . . 1.45 110.566 -178.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.535 HG21 ' O ' ' B' ' 79' ' ' TYR . 14.3 m -94.73 148.46 4.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 121.144 -0.222 . . . . 2.0 110.661 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . 0.431 HD21 ' O ' ' B' ' 111' ' ' VAL . 67.4 mt -128.19 136.71 51.47 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.811 -0.44 . . . . 1.86 109.811 176.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 11.2 p -177.19 87.5 0.03 OUTLIER 'General case' 0 C--O 1.218 -0.579 0 N-CA-C 112.121 0.415 . . . . 3.01 112.121 175.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 114' ' ' ARG . . . . . 0.532 ' HB3' ' O ' ' B' ' 75' ' ' HIS . 7.0 tpm_? . . . . . 0 C--N 1.325 -0.5 0 O-C-N 121.079 -1.013 . . . . 7.45 109.966 162.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.4 ' HB2' ' CB ' ' B' ' 111' ' ' VAL . 22.2 m-85 . . . . . 0 CA--C 1.516 -0.349 0 CA-C-O 121.181 0.515 . . . . 4.02 110.518 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.2 m -126.48 118.94 25.96 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.648 -0.705 . . . . 2.58 109.667 178.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.4 m -57.38 -26.58 26.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-O 121.379 0.609 . . . . 1.8 110.226 176.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.8 t -109.63 106.67 16.44 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.367 -0.975 . . . . 1.75 108.367 169.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -55.51 115.68 2.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.206 0.527 . . . . 2.87 111.247 -173.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.419 ' HB3' ' CG2' ' A' ' 56' ' ' THR . 50.0 m -125.47 143.65 50.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.6 -0.727 . . . . 1.91 109.927 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.474 ' HB ' ' HD2' ' A' ' 59' ' ' ARG . 7.3 p -115.98 119.94 63.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.007 0.432 . . . . 1.88 110.966 -178.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.0 p -92.66 115.54 28.2 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.197 -0.456 . . . . 1.95 110.611 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.1 t -119.89 140.68 43.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.431 -0.349 . . . . 1.55 110.912 -176.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -93.39 96.59 10.03 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.863 -0.791 . . . . 1.86 108.863 173.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.9 t -94.82 120.53 44.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.946 -0.57 . . . . 1.41 111.425 -173.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -130.26 20.35 5.01 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 111.002 -0.839 . . . . 1.36 111.002 174.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -113.41 -20.59 11.26 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.913 0.338 . . . . 3.02 111.913 -176.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -71.59 148.29 46.76 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.517 -0.473 . . . . 1.64 110.03 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.426 ' O ' ' HA ' ' A' ' 37' ' ' THR . 14.9 t -117.11 3.88 12.71 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.47 -0.332 . . . . 2.12 111.637 -173.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -144.12 149.27 36.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.693 0.282 . . . . 1.54 111.429 179.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -155.73 167.69 29.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.82 -0.627 . . . . 1.29 110.366 174.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 34' ' ' LYS . 11.0 m -96.92 121.2 38.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.942 -0.572 . . . . 1.53 110.777 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -67.07 164.99 16.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.332 -0.849 . . . . 1.85 110.277 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.1 tt -61.42 -28.74 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.031 0.443 . . . . 1.74 110.838 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -79.45 -9.14 59.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 2.65 110.959 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.34 12.74 47.51 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.79 -0.719 . . . . 1.25 112.075 179.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 29' ' ' THR . 35.1 mmtp -84.87 159.94 20.26 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.832 0.349 . . . . 2.58 110.551 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -106.79 115.29 29.94 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 108.956 -0.757 . . . . 2.19 108.956 173.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.0 m -120.23 152.43 23.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-O 121.023 0.44 . . . . 1.48 111.466 -174.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 26' ' ' THR . 41.2 m -82.14 109.08 16.12 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.199 -0.909 . . . . 1.5 109.839 178.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.496 ' HA ' HG22 ' A' ' 91' ' ' THR . 65.0 t -86.6 125.93 40.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.818 -0.628 . . . . 1.55 111.042 -174.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 42.1 mt -99.32 114.57 27.51 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.972 -0.751 . . . . 1.91 108.972 176.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.432 ' O ' ' HA ' ' A' ' 50' ' ' ARG . . . -69.31 -19.2 63.88 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.359 0.6 . . . . 2.35 110.154 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.503 ' HG2' ' HG2' ' A' ' 50' ' ' ARG . 37.4 mt-10 -105.82 115.43 30.22 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.136 -0.938 . . . . 3.59 109.435 177.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.548 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 20.2 m -95.8 137.26 24.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.37 -0.377 . . . . 2.85 110.024 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.412 ' H ' HD23 ' A' ' 90' ' ' LEU . 25.5 m-80 -106.58 100.02 9.56 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.163 -0.471 . . . . 3.25 110.236 -176.071 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.6 mt -112.34 101.33 12.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.986 -0.376 . . . . 2.98 109.986 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.9 m120 58.29 48.25 12.84 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.013 -0.54 . . . . 3.91 110.521 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.4 m120 66.92 12.99 9.27 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.678 -0.692 . . . . 5.31 111.451 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.3 t -110.66 115.77 30.16 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 109.051 -0.722 . . . . 3.53 109.051 176.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.548 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 63.9 t -96.32 130.12 45.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.948 -0.569 . . . . 2.78 111.278 -174.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -127.13 141.19 51.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.72 -0.673 . . . . 4.85 109.805 175.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.503 ' HG2' ' HG2' ' A' ' 41' ' ' GLU . 99.3 mtt180 -101.82 129.02 47.94 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.01 0.433 . . . . 5.38 110.887 -179.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -117.19 100.59 7.81 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.073 -0.512 . . . . 5.18 110.812 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -73.68 129.36 37.79 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.857 -0.794 . . . . 2.96 108.857 177.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -87.92 129.49 35.21 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.426 -0.352 . . . . 1.28 110.856 -174.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.417 ' CB ' ' HG1' ' B' ' 85' ' ' THR . 78.0 t80 -83.4 94.71 8.03 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.944 -0.761 . . . . 4.41 108.944 178.395 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -114.42 121.57 43.99 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.617 -0.72 . . . . 1.49 110.037 -175.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.444 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 32.0 m -98.29 122.16 41.11 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.98 -0.555 . . . . 1.56 110.286 179.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -103.13 151.42 22.6 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.035 -0.53 . . . . 2.93 110.161 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.8 t -86.77 106.07 17.42 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.906 -0.588 . . . . 1.77 110.026 -177.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.474 ' HD2' ' HB ' ' A' ' 18' ' ' VAL . 79.6 mtp180 -70.5 -49.54 47.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.939 -0.573 . . . . 3.84 110.517 -178.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -139.71 109.41 6.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.833 -0.621 . . . . 2.96 110.44 -177.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.432 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 49.9 m -83.76 -20.32 33.54 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.984 0.421 . . . . 3.02 111.23 -178.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -144.4 70.36 15.81 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.293 -0.412 . . . . 2.59 110.08 176.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -51.68 -35.41 57.54 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 122.761 2.307 . . . . 2.81 112.236 177.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.432 HG11 ' HG2' ' A' ' 69' ' ' ARG . 29.3 m -123.92 177.48 4.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 110.199 -0.297 . . . . 2.53 110.199 174.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.91 -47.89 82.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.593 0.235 . . . . 4.19 111.424 -177.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.2 p -71.22 -12.39 61.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.873 0.368 . . . . 4.07 111.446 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.39 -97.33 0.56 Allowed Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 121.134 -0.555 . . . . 2.7 111.802 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 74.3 m -99.23 135.58 40.43 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.366 -0.235 . . . . 1.76 110.366 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.432 ' HG2' HG11 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -68.75 105.44 2.31 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-N 116.309 -0.405 . . . . 4.4 110.15 -175.906 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 137.47 -32.41 2.4 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.834 -0.698 . . . . 1.61 111.558 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.3 mm -63.38 140.21 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 122.586 0.354 . . . . 2.04 110.961 -179.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -68.71 107.49 3.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.875 -0.602 . . . . 3.32 109.901 178.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.1 p -75.83 -11.61 60.01 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.591 0.589 . . . . 4.99 112.591 -172.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -89.91 -35.5 15.56 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.007 0.432 . . . . 3.32 110.874 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -97.97 -30.62 12.61 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.172 -0.467 . . . . 4.16 111.199 -178.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.523 ' CE3' ' HB3' ' A' ' 112' ' ' LEU . 99.6 m95 -127.83 157.48 40.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.643 0.735 . . . . 3.71 111.799 -174.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -121.29 135.11 55.15 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.134 -1.061 . . . . 3.0 108.134 169.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.487 ' HB2' ' SG ' ' A' ' 110' ' ' CYS . 12.0 p -121.04 137.23 54.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.034 0.445 . . . . 2.16 111.617 -176.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.489 ' O ' HG22 ' A' ' 111' ' ' VAL . 49.7 p90 -153.69 160.63 42.41 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.945 -0.761 . . . . 4.07 108.945 173.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.778 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 73.1 m -102.35 144.03 31.36 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 112.71 0.633 . . . . 1.67 112.71 -170.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.472 ' O ' HG21 ' A' ' 109' ' ' VAL . 5.2 t -145.3 141.22 28.36 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.989 -1.005 . . . . 2.49 108.807 172.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.425 ' HA ' ' HA ' ' A' ' 108' ' ' CYS . 19.8 p -85.97 133.93 33.9 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.127 0.489 . . . . 3.09 111.695 -174.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.417 HG22 ' OG1' ' A' ' 106' ' ' THR . 10.6 t -94.45 147.27 23.41 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.364 -0.976 . . . . 3.17 108.364 173.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -132.66 151.18 52.03 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.098 0.475 . . . . 4.4 112.171 -168.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.504 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 13.4 t -124.67 175.97 6.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.428 -0.805 . . . . 1.61 109.118 174.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -125.89 118.08 24.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.796 0.332 . . . . 2.52 110.11 -176.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.0 m -116.59 140.77 37.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.178 -0.465 . . . . 1.59 110.391 -178.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 18.8 pttm -82.76 123.55 29.42 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 121.67 0.748 . . . . 4.22 110.719 -179.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.8 156.53 43.44 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.936 -1.029 . . . . 1.57 109.502 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.412 HD23 ' H ' ' A' ' 43' ' ' ASN . 24.1 tp -75.46 104.69 6.13 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.507 -0.923 . . . . 1.87 108.507 175.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.496 HG22 ' HA ' ' A' ' 38' ' ' VAL . 32.7 p -125.88 158.58 34.74 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.226 -0.443 . . . . 1.44 110.122 -175.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.0 t -128.38 135.95 50.25 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.043 0.449 . . . . 1.63 110.38 176.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -95.09 -7.01 40.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.995 -0.548 . . . . 2.47 110.524 178.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -160.49 -82.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.375 -0.375 . . . . 3.09 110.3 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -138.81 7.63 2.51 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 111.77 0.285 . . . . 3.75 111.77 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -118.14 124.74 48.73 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.717 0.294 . . . . 3.02 110.314 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -88.26 130.99 34.95 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.12 -0.491 . . . . 1.8 110.798 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.78 153.5 38.24 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.252 -0.431 . . . . 1.79 110.487 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -77.2 101.86 6.38 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.237 -0.438 . . . . 2.88 110.46 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.443 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 38.2 mmt180 -111.87 154.35 25.29 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.497 -0.557 . . . . 3.92 109.497 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -90.67 117.24 29.17 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.872 0.368 . . . . 2.74 110.271 179.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 35.8 pt -112.74 149.82 15.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.086 -0.507 . . . . 1.33 110.069 -178.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.504 ' HA ' ' O ' ' A' ' 85' ' ' THR . 17.6 ptp180 -88.36 132.05 34.59 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.725 -0.67 . . . . 4.27 111.231 -174.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 30.5 pt -129.78 140.79 48.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.533 -0.758 . . . . 1.36 109.578 173.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -80.1 127.41 32.28 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.844 -0.428 . . . . 1.69 109.844 -178.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.417 ' OG1' HG22 ' A' ' 83' ' ' THR . 7.5 p -91.23 -29.43 17.2 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.355 -0.384 . . . . 2.66 111.388 -176.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -168.32 153.11 6.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.415 -0.357 . . . . 1.64 111.018 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.778 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 14.6 t -100.14 107.09 18.89 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.294 -1.002 . . . . 1.59 108.294 173.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.509 ' O ' ' HA ' ' A' ' 80' ' ' CYS . 21.4 m -89.6 142.72 12.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.149 0.499 . . . . 1.52 111.304 -171.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.487 ' SG ' ' HB2' ' A' ' 78' ' ' SER . 37.4 t -92.03 99.83 12.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.074 -0.966 . . . . 1.45 108.66 177.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 79' ' ' TYR . 17.5 m -85.3 152.61 3.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.33 -0.395 . . . . 2.0 110.688 -175.347 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.523 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . 85.7 mt -110.77 137.69 48.11 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.112 0.482 . . . . 1.86 110.179 178.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.4 m -126.61 155.71 42.08 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.737 -0.665 . . . . 3.01 109.407 176.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.344 -0.389 . . . . 7.46 111.68 -176.751 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 . . . . . 0 CA--C 1.516 -0.327 0 CA-C-O 121.174 0.512 . . . . 4.01 110.456 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 20.1 m -126.32 118.91 26.05 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.512 -0.767 . . . . 2.58 109.692 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 27.4 m -57.46 -26.53 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-O 121.453 0.644 . . . . 1.81 110.329 176.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 47.5 t -109.44 106.65 16.5 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.949 -1.023 . . . . 1.75 108.372 169.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -55.57 115.69 2.47 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.155 0.502 . . . . 2.87 111.195 -173.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' SER . . . . . 0.411 ' HB3' ' CG2' ' B' ' 56' ' ' THR . 50.2 m -125.45 143.25 51.08 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.604 -0.725 . . . . 1.91 110.014 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.487 ' HB ' ' HD2' ' B' ' 59' ' ' ARG . 7.3 p -115.53 120.14 63.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.915 0.388 . . . . 1.88 110.891 -178.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.6 p -92.69 115.53 28.19 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.306 -0.406 . . . . 1.95 110.637 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 40.9 t -119.88 140.62 43.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.496 -0.32 . . . . 1.55 110.86 -176.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -93.21 96.11 9.8 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.952 -0.759 . . . . 1.86 108.952 173.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 45.5 t -94.67 120.41 44.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.08 -0.509 . . . . 1.41 111.347 -173.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -130.1 20.26 5.07 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 110.941 -0.864 . . . . 1.36 110.941 174.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -113.31 -20.72 11.27 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.775 0.287 . . . . 3.01 111.775 -176.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 21.8 pttm -71.7 148.0 46.86 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.499 -0.481 . . . . 1.64 110.148 -178.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' THR . . . . . 0.431 ' O ' ' HA ' ' B' ' 37' ' ' THR . 14.8 t -116.56 4.08 13.2 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.391 -0.368 . . . . 2.11 111.783 -173.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.47 149.32 35.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.751 0.31 . . . . 1.53 111.361 179.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -155.87 167.69 29.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.962 -0.563 . . . . 1.29 110.299 175.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' B' ' 34' ' ' LYS . 11.8 m -96.73 121.28 38.41 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.006 -0.543 . . . . 1.52 110.774 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.9 164.95 16.36 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.309 -0.859 . . . . 1.84 110.278 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 14.1 tt -61.41 -28.83 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.93 0.395 . . . . 1.74 110.772 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -79.44 -9.01 59.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 2.65 110.867 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.96 11.32 50.11 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.684 -0.77 . . . . 1.25 112.237 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.429 ' O ' ' HA ' ' B' ' 29' ' ' THR . 35.1 mmtp -83.72 159.79 21.42 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.788 0.327 . . . . 2.58 110.499 179.172 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -106.6 115.54 30.37 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.828 -0.804 . . . . 2.19 108.828 173.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 21.6 m -120.49 152.35 23.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.071 0.462 . . . . 1.48 111.542 -175.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' B' ' 26' ' ' THR . 39.6 m -81.83 109.16 15.96 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.22 -0.9 . . . . 1.5 109.836 178.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.508 ' HA ' HG22 ' B' ' 91' ' ' THR . 66.3 t -86.74 125.68 40.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.84 -0.618 . . . . 1.55 111.094 -174.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 41.9 mt -99.3 114.14 26.83 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.869 -0.789 . . . . 1.91 108.869 176.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.425 ' O ' ' HA ' ' B' ' 50' ' ' ARG . . . -68.86 -18.99 64.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.358 0.599 . . . . 2.34 110.341 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.501 ' HG2' ' HG2' ' B' ' 50' ' ' ARG . 37.1 mt-10 -105.78 115.51 30.35 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.16 -0.927 . . . . 3.59 109.389 177.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.551 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 19.9 m -95.77 137.26 24.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 110.039 -0.356 . . . . 2.85 110.039 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . 0.401 ' H ' HD23 ' B' ' 90' ' ' LEU . 25.5 m-80 -106.57 99.87 9.42 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.15 -0.477 . . . . 3.25 110.22 -176.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 68.3 mt -112.29 101.11 12.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 110.09 -0.337 . . . . 2.98 110.09 178.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 11.8 m120 58.33 48.19 12.84 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.979 -0.555 . . . . 3.91 110.535 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 18.8 m120 66.93 13.15 9.34 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.641 -0.709 . . . . 5.31 111.463 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 14.2 t -110.6 115.48 29.67 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.847 -0.797 . . . . 3.54 108.847 176.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . 0.551 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 64.1 t -96.29 129.83 45.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.877 -0.601 . . . . 2.78 111.423 -174.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -126.72 141.13 51.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.876 -0.602 . . . . 4.84 109.902 175.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.501 ' HG2' ' HG2' ' B' ' 41' ' ' GLU . 99.3 mtt180 -101.83 129.23 47.99 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.982 0.42 . . . . 5.38 110.739 -179.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -117.07 100.76 7.95 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.008 -0.542 . . . . 5.18 110.738 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -73.81 129.37 37.77 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.874 -0.787 . . . . 2.96 108.874 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -88.05 129.55 35.25 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.475 -0.329 . . . . 1.28 110.835 -174.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . 0.405 ' CB ' ' HG1' ' A' ' 85' ' ' THR . 78.1 t80 -83.47 94.83 8.1 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.955 -0.758 . . . . 4.41 108.955 178.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -114.55 121.46 43.54 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.517 -0.765 . . . . 1.49 109.927 -175.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 31.4 m -98.27 122.3 41.26 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.964 -0.562 . . . . 1.57 110.279 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -103.16 151.46 22.57 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.909 -0.587 . . . . 2.93 110.217 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 4.9 t -86.74 105.79 17.22 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.824 -0.625 . . . . 1.77 110.107 -177.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . 0.487 ' HD2' ' HB ' ' B' ' 18' ' ' VAL . 79.9 mtp180 -70.4 -49.21 51.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.917 -0.583 . . . . 3.85 110.666 -177.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -139.98 109.65 6.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.873 -0.603 . . . . 2.96 110.452 -177.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' SER . . . . . 0.434 ' HA ' ' SG ' ' B' ' 80' ' ' CYS . 51.0 m -84.19 -19.89 33.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.364 -0.38 . . . . 3.01 111.102 -178.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -144.78 70.19 15.03 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.189 -0.46 . . . . 2.59 110.081 177.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo -51.48 -35.8 56.79 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 122.797 2.331 . . . . 2.81 112.158 177.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' VAL . . . . . 0.429 HG11 ' HG2' ' B' ' 69' ' ' ARG . 28.9 m -123.65 177.47 4.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.39 -0.368 . . . . 2.53 110.262 174.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -61.79 -48.38 80.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.815 0.34 . . . . 4.2 111.443 -177.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 11.3 p -71.28 -11.72 61.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.507 -0.315 . . . . 4.07 111.551 -177.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.16 -97.52 0.58 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 121.032 -0.604 . . . . 2.7 111.765 -178.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 74.3 m -98.99 135.32 40.56 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.595 0.236 . . . . 1.76 110.484 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . 0.429 ' HG2' HG11 ' B' ' 64' ' ' VAL . 0.0 OUTLIER -68.29 105.47 2.14 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.32 -0.4 . . . . 4.4 110.213 -175.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 137.47 -32.49 2.39 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.75 -0.738 . . . . 1.61 111.507 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 49.2 mm -63.18 140.07 20.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 O-C-N 123.863 0.39 . . . . 2.04 111.057 -179.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -68.57 107.55 2.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.936 -0.575 . . . . 3.32 109.908 178.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 5.8 p -75.58 -12.11 60.15 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.651 0.611 . . . . 4.99 112.651 -172.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -89.84 -35.45 15.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.811 0.339 . . . . 3.33 110.831 -177.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -97.77 -30.8 12.58 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.235 -0.438 . . . . 4.16 111.23 -178.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' TRP . . . . . 0.521 ' CE3' ' HB3' ' B' ' 112' ' ' LEU . 99.6 m95 -127.69 157.66 39.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.622 0.725 . . . . 3.7 111.876 -174.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -121.28 135.15 55.15 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.814 -1.085 . . . . 3.0 108.205 169.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.487 ' HB2' ' SG ' ' B' ' 110' ' ' CYS . 12.0 p -121.06 137.57 54.59 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.054 0.454 . . . . 2.16 111.727 -176.228 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . 0.482 ' O ' HG22 ' B' ' 111' ' ' VAL . 49.3 p90 -154.03 160.64 42.1 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.934 -0.765 . . . . 4.07 108.934 173.384 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . 0.772 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 73.3 m -102.37 143.84 31.62 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 112.749 0.648 . . . . 1.67 112.749 -170.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.458 ' O ' HG21 ' B' ' 109' ' ' VAL . 5.0 t -145.12 141.14 28.52 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.988 -1.005 . . . . 2.49 108.747 172.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' B' ' 108' ' ' CYS . 19.8 p -85.79 133.86 33.96 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.927 0.394 . . . . 3.09 111.787 -175.173 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' THR . . . . . 0.416 HG22 ' OG1' ' B' ' 106' ' ' THR . 9.9 t -94.2 147.09 23.52 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.338 -0.986 . . . . 3.17 108.338 173.245 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -132.25 151.58 51.75 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.056 0.455 . . . . 4.39 112.118 -168.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' THR . . . . . 0.518 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 13.6 t -125.05 176.03 6.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.335 -0.848 . . . . 1.61 109.085 174.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -125.94 118.15 24.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.852 0.358 . . . . 2.52 110.176 -177.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 19.1 m -116.63 140.7 37.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.191 -0.459 . . . . 1.59 110.411 -178.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . 0.445 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 18.9 pttm -82.72 123.59 29.44 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.615 0.721 . . . . 4.22 110.675 -179.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.74 156.52 43.4 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.003 -0.999 . . . . 1.57 109.462 177.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . 0.401 HD23 ' H ' ' B' ' 43' ' ' ASN . 24.0 tp -75.43 104.7 6.1 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.565 -0.902 . . . . 1.87 108.565 174.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' THR . . . . . 0.508 HG22 ' HA ' ' B' ' 38' ' ' VAL . 33.4 p -125.97 158.78 34.38 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.229 -0.441 . . . . 1.44 110.099 -175.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 11.5 t -128.75 135.76 49.64 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.018 0.437 . . . . 1.63 110.228 176.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -94.76 -7.54 40.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.984 -0.553 . . . . 2.46 110.561 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -160.16 -81.45 0.05 OUTLIER 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.289 -0.414 . . . . 3.09 110.468 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -139.35 7.4 2.38 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 111.719 0.266 . . . . 3.76 111.719 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -117.89 125.24 50.11 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.764 0.316 . . . . 3.02 110.256 178.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -88.64 130.56 35.26 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.323 -0.399 . . . . 1.8 110.764 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.46 153.33 38.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.183 -0.462 . . . . 1.79 110.42 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -76.98 101.72 6.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.231 -0.441 . . . . 2.87 110.579 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 100' ' ' ARG . . . . . 0.445 ' O ' ' HA ' ' B' ' 88' ' ' LYS . 38.2 mmt180 -111.8 154.36 25.19 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.485 -0.561 . . . . 3.93 109.485 -179.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -90.81 117.03 29.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.417 -0.356 . . . . 2.75 110.321 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 35.0 pt -112.64 149.88 15.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.106 -0.497 . . . . 1.33 109.94 -178.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . 0.518 ' HA ' ' O ' ' B' ' 85' ' ' THR . 17.6 ptp180 -88.3 132.2 34.49 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.68 -0.691 . . . . 4.28 111.269 -174.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 30.4 pt -129.97 140.76 48.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.619 -0.719 . . . . 1.36 109.532 173.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -80.11 127.18 32.0 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.974 -0.38 . . . . 1.69 109.974 -178.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 106' ' ' THR . . . . . 0.416 ' OG1' HG22 ' B' ' 83' ' ' THR . 7.3 p -91.22 -29.2 17.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.438 -0.347 . . . . 2.65 111.412 -176.152 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -168.46 152.97 6.07 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.462 -0.336 . . . . 1.64 110.976 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . 0.772 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 14.4 t -99.94 106.89 18.75 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.29 -1.004 . . . . 1.6 108.29 173.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.504 ' O ' ' HA ' ' B' ' 80' ' ' CYS . 21.5 m -89.4 142.87 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.118 0.485 . . . . 1.53 111.418 -171.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . 0.487 ' SG ' ' HB2' ' B' ' 78' ' ' SER . 37.3 t -92.04 99.97 12.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.142 -0.935 . . . . 1.45 108.753 177.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.482 HG22 ' O ' ' B' ' 79' ' ' TYR . 17.7 m -85.35 152.61 3.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.327 -0.397 . . . . 2.0 110.542 -175.218 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . 0.521 ' HB3' ' CE3' ' B' ' 76' ' ' TRP . 85.4 mt -110.76 137.74 48.04 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 121.047 0.451 . . . . 1.86 110.292 178.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 22.4 m -126.82 155.62 42.6 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.665 -0.698 . . . . 3.01 109.522 176.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 . . . . . 0 C--N 1.324 -0.5 0 CA-C-N 116.304 -0.407 . . . . 7.45 111.762 -176.771 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 . . . . . 0 CA--C 1.519 -0.227 0 CA-C-O 121.171 0.51 . . . . 4.02 111.511 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.2 m -103.3 134.23 47.05 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.467 -0.788 . . . . 2.58 109.358 175.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.3 m -62.37 -18.02 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 121.09 0.472 . . . . 1.8 111.132 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.2 t -125.29 126.99 45.99 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.196 -1.038 . . . . 1.75 108.196 171.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -54.1 115.01 1.82 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.381 0.61 . . . . 2.87 112.282 -171.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.4 m -128.22 145.54 51.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.262 -0.881 . . . . 1.91 109.824 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -117.52 122.28 69.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.889 0.376 . . . . 1.88 110.625 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.402 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 4.6 p -94.77 113.97 25.8 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.181 0.515 . . . . 1.95 110.565 179.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.9 t -119.58 138.33 50.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.146 -0.479 . . . . 1.55 110.901 -177.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -97.12 96.13 8.24 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.173 -0.677 . . . . 1.86 109.173 172.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.2 t -83.43 108.57 16.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.927 -0.578 . . . . 1.41 110.45 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.3 6.78 56.1 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.672 -0.775 . . . . 1.36 111.87 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -137.85 42.39 2.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.762 0.315 . . . . 3.02 110.798 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -76.29 130.31 37.96 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.797 -0.445 . . . . 1.64 109.797 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 37' ' ' THR . 8.8 t -115.99 -17.19 10.99 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.507 0.558 . . . . 2.12 112.507 -175.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.7 p -137.59 141.76 41.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.875 -0.516 . . . . 1.54 111.652 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -154.64 163.78 39.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.988 -0.551 . . . . 1.29 110.454 174.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.4 m -103.2 121.03 41.83 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.136 -0.483 . . . . 1.53 110.686 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.449 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 20.2 t70 -65.15 162.8 16.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.325 -0.852 . . . . 1.85 110.351 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.467 ' HA ' ' CE2' ' A' ' 86' ' ' PHE . 16.8 tt -59.9 -27.48 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.72 0.295 . . . . 1.74 111.603 -178.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -83.7 -9.55 58.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 2.65 111.078 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.95 20.2 14.89 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.563 -0.827 . . . . 1.25 112.749 177.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -95.59 125.76 40.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.887 -0.184 . . . . 2.58 110.705 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -81.7 115.04 20.77 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.204 -0.665 . . . . 2.19 109.204 176.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.1 m -125.22 158.67 33.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.937 -0.574 . . . . 1.48 111.398 -173.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 26' ' ' THR . 31.7 m -85.93 114.54 22.92 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.292 -0.867 . . . . 1.5 110.552 -179.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.423 ' HA ' HG21 ' A' ' 91' ' ' THR . 59.6 t -83.58 132.82 30.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.718 -0.674 . . . . 1.55 110.466 -177.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.0 mt -93.95 117.97 30.84 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.929 -0.767 . . . . 1.91 108.929 175.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.16 -11.16 60.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.379 0.609 . . . . 2.35 110.429 -178.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.467 ' HG2' ' HB3' ' A' ' 50' ' ' ARG . 45.0 mt-10 -132.16 116.33 16.85 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.972 -1.013 . . . . 3.59 109.04 175.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.493 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 16.2 m -89.8 130.54 38.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.293 0.568 . . . . 2.85 110.372 -177.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -99.87 98.88 9.62 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.773 -0.648 . . . . 3.25 109.872 -178.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.7 mm -114.04 91.35 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.197 -0.456 . . . . 2.98 110.199 -178.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.406 ' C ' ' H ' ' A' ' 47' ' ' SER . 0.9 OUTLIER 59.23 56.86 3.67 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.602 -0.727 . . . . 3.91 110.433 179.159 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 74.57 -20.53 0.32 Allowed 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.363 -0.835 . . . . 5.31 111.825 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.406 ' H ' ' C ' ' A' ' 45' ' ' ASN . 22.9 t -85.61 115.27 23.2 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.515 -0.55 . . . . 3.53 109.515 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 49.2 t -101.46 123.21 54.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.856 -0.611 . . . . 2.78 110.934 -177.075 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.45 ' O ' HG21 ' A' ' 42' ' ' VAL . 84.0 m-85 -116.96 125.62 51.7 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.934 -0.576 . . . . 4.85 109.714 175.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.467 ' HB3' ' HG2' ' A' ' 41' ' ' GLU . 14.2 ptp180 -101.81 142.51 33.02 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.701 -0.4 . . . . 5.38 110.248 177.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.401 ' HB3' ' HG3' ' B' ' 88' ' ' LYS . 1.0 OUTLIER -116.85 164.72 14.24 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.199 0.523 . . . . 5.18 111.251 -179.727 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -123.98 123.16 39.77 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.439 -0.949 . . . . 2.96 108.439 175.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -89.67 116.57 27.9 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 120.826 0.346 . . . . 1.28 110.694 -176.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.402 ' CE1' ' HB2' ' A' ' 19' ' ' SER . 84.7 t80 -83.73 94.76 8.22 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.794 -0.639 . . . . 4.41 109.642 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -102.03 109.01 20.62 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.614 -0.721 . . . . 1.49 110.183 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.4 m -91.52 96.67 10.61 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.468 -0.938 . . . . 1.56 108.468 172.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -101.66 152.11 21.21 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.515 -0.766 . . . . 2.93 110.439 -168.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 6.0 t -82.14 116.07 21.54 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.064 -0.516 . . . . 1.77 110.479 -175.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -74.62 -47.69 30.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.965 -0.561 . . . . 3.84 110.431 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -160.89 125.51 3.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.151 -0.477 . . . . 2.96 110.521 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.5 t -78.96 135.15 36.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.137 -0.483 . . . . 3.02 110.108 178.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.7 m120 64.05 74.67 0.41 Allowed Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.807 -0.633 . . . . 2.59 111.149 178.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -61.32 -27.27 82.89 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.603 2.202 . . . . 2.81 112.507 179.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.8 m -123.64 161.3 26.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.42 -0.354 . . . . 2.53 110.206 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -88.78 40.55 0.98 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.344 0.592 . . . . 4.19 111.31 -175.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.1 m -150.32 21.91 0.84 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.617 -0.719 . . . . 4.07 109.42 175.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.92 -104.2 1.43 Allowed Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.55 -0.75 . . . . 2.7 111.631 -176.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 93.3 m -135.19 169.06 18.03 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 110.217 -0.29 . . . . 1.76 110.217 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -67.65 125.66 26.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.773 0.321 . . . . 4.4 110.378 -175.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.495 ' O ' ' HA ' ' B' ' 71' ' ' ILE . . . 99.95 -29.71 11.57 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.888 -0.672 . . . . 1.61 111.912 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.478 ' HA ' ' O ' ' B' ' 70' ' ' GLY . 30.2 mm -76.91 84.92 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.143 0.497 . . . . 2.04 110.253 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -102.2 80.71 2.0 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.416 -0.587 . . . . 3.32 109.416 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.1 t -147.69 138.08 23.09 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.656 -0.702 . . . . 4.99 110.205 -178.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -91.02 -15.72 29.13 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.006 -0.738 . . . . 3.32 109.006 174.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -78.93 -28.75 43.85 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.801 -1.091 . . . . 4.16 109.705 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 82.5 m95 -113.09 118.22 34.15 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.812 -0.631 . . . . 3.71 111.408 -178.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -96.39 136.44 36.87 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.079 -1.082 . . . . 3.0 108.079 169.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.628 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 4.5 m -121.73 148.69 44.29 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 120.929 0.395 . . . . 2.16 111.73 -171.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -154.4 156.1 36.21 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.555 -0.748 . . . . 4.07 109.055 171.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.546 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 26.9 m -99.34 139.06 35.54 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.954 0.407 . . . . 1.67 111.416 -172.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.1 t -138.37 147.01 42.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.848 -0.615 . . . . 2.49 109.588 177.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.9 p -91.67 124.94 36.2 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.191 0.52 . . . . 3.09 112.066 -175.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 91.0 m -76.4 138.27 40.28 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.437 -0.949 . . . . 3.17 108.437 170.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -124.56 132.37 53.45 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.737 -0.385 . . . . 4.4 110.435 -178.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.609 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 8.9 t -114.36 160.57 18.96 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.175 -0.466 . . . . 1.61 109.753 -178.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.666 ' CE2' ' HB3' ' A' ' 103' ' ' ARG . 83.7 m-85 -120.54 117.22 27.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.805 0.336 . . . . 2.52 110.459 -176.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 31.1 m -113.63 156.15 14.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.249 -0.432 . . . . 1.59 110.703 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.422 ' HD3' ' CZ ' ' A' ' 101' ' ' PHE . 32.0 mmmt -84.56 113.07 20.97 Favored 'General case' 0 CA--C 1.515 -0.404 0 CA-C-O 120.914 0.388 . . . . 4.22 110.144 177.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.57 146.09 50.64 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.87 -0.604 . . . . 1.57 109.916 177.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.4 tp -77.96 104.45 8.53 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.644 -0.873 . . . . 1.87 108.644 176.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.423 HG21 ' HA ' ' A' ' 38' ' ' VAL . 67.9 p -112.74 145.46 40.48 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.161 -0.472 . . . . 1.44 110.36 -176.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.7 t -104.44 126.61 51.69 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.462 0.649 . . . . 1.63 110.442 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -70.98 -31.2 67.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.18 -0.918 . . . . 2.47 109.929 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -171.62 -58.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.168 -0.924 . . . . 3.09 108.515 178.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -125.33 -32.94 2.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.664 -0.698 . . . . 3.75 110.586 172.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -83.73 130.61 34.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.354 -0.384 . . . . 3.02 110.93 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -103.99 137.13 42.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.928 -0.578 . . . . 1.8 110.501 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.58 147.45 32.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.226 -0.443 . . . . 1.79 110.718 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -73.19 108.22 5.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.131 -0.486 . . . . 2.88 110.374 177.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.403 HH21 ' CG ' ' A' ' 30' ' ' ASP . 12.3 mmm180 -114.79 163.89 14.87 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.247 -0.433 . . . . 3.92 110.56 -179.365 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.449 ' O ' ' HA ' ' A' ' 30' ' ' ASP . 75.5 m-85 -89.8 113.23 24.75 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.137 -0.69 . . . . 2.74 109.137 173.086 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 40.8 pt -113.3 144.42 20.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 C-N-CA 120.449 -0.5 . . . . 1.33 110.752 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.666 ' HB3' ' CE2' ' A' ' 86' ' ' PHE . 19.0 ptp180 -94.03 130.76 40.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.556 -0.747 . . . . 4.27 111.278 -174.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.406 HD12 ' N ' ' A' ' 104' ' ' ILE . 0.2 OUTLIER -131.46 160.38 42.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 CA-C-N 115.889 -0.596 . . . . 1.36 110.522 174.636 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -69.11 123.32 20.77 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.485 -0.78 . . . . 1.69 110.668 -178.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.3 m -96.43 -34.86 11.36 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.567 -0.742 . . . . 2.66 110.701 -177.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -179.34 160.48 1.01 Allowed 'General case' 0 CA--C 1.522 -0.106 0 CA-C-N 115.779 -0.646 . . . . 1.64 110.119 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.546 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 39.1 t -113.29 100.99 8.98 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.591 -0.892 . . . . 1.59 108.591 171.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.487 ' O ' ' HA ' ' A' ' 80' ' ' CYS . 22.2 m -94.92 152.25 3.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.013 -0.54 . . . . 1.52 110.914 -172.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.628 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 32.5 t -104.06 109.44 21.23 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.221 -0.659 . . . . 1.45 109.221 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.456 ' O ' ' HA ' ' A' ' 78' ' ' SER . 13.5 m -86.18 153.14 3.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.165 -0.47 . . . . 2.0 110.47 -175.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.0 mt -108.93 137.55 46.67 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.758 -0.46 . . . . 1.86 109.758 177.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 44.5 t -132.22 144.21 50.47 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.243 -0.435 . . . . 3.01 110.078 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 115.924 -0.58 . . . . 7.46 110.14 178.617 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 . . . . . 0 CA--C 1.52 -0.182 0 CA-C-O 121.211 0.529 . . . . 4.01 111.45 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 24.1 m -103.39 134.24 47.1 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.374 -0.83 . . . . 2.58 109.509 175.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 28.3 m -62.42 -17.98 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-O 121.126 0.489 . . . . 1.81 111.133 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 t -125.22 127.32 46.58 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.14 -1.059 . . . . 1.75 108.14 171.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -53.97 115.16 1.88 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.269 0.557 . . . . 2.87 112.426 -171.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 45.0 m -128.66 145.17 51.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.441 -0.799 . . . . 1.91 109.848 178.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -117.36 121.99 68.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 120.946 0.403 . . . . 1.88 110.646 -179.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.407 ' HB2' ' CE1' ' B' ' 54' ' ' PHE . 4.8 p -94.84 113.69 25.47 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.99 0.424 . . . . 1.95 110.518 179.012 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 59.0 t -119.32 138.35 50.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.105 -0.498 . . . . 1.55 110.886 -177.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -97.19 96.16 8.24 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.189 -0.671 . . . . 1.86 109.189 172.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 40.3 t -83.61 108.57 16.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.941 -0.572 . . . . 1.41 110.411 -177.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.12 6.57 56.45 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.577 -0.821 . . . . 1.36 112.007 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -137.75 42.77 2.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.88 0.371 . . . . 3.01 110.784 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -76.37 130.67 38.4 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.643 -0.503 . . . . 1.64 109.643 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -116.48 -17.07 10.74 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.525 0.565 . . . . 2.11 112.525 -175.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 12.1 p -137.82 141.44 40.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.985 -0.447 . . . . 1.53 111.668 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -154.5 163.57 40.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.985 -0.552 . . . . 1.29 110.359 174.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 27.1 m -102.87 121.26 42.14 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.142 -0.481 . . . . 1.52 110.748 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . 0.444 ' HA ' ' O ' ' B' ' 101' ' ' PHE . 20.1 t70 -65.12 162.8 16.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.392 -0.822 . . . . 1.84 110.422 179.367 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.467 ' HA ' ' CE2' ' B' ' 86' ' ' PHE . 16.6 tt -60.12 -27.44 39.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.729 0.299 . . . . 1.74 111.462 -178.241 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -83.58 -9.67 58.77 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.811 0.338 . . . . 2.65 111.115 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.96 20.25 14.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.766 -0.731 . . . . 1.25 112.837 177.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -95.61 126.01 40.6 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.77 -0.253 . . . . 2.58 110.465 179.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -82.08 115.07 21.04 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.276 -0.638 . . . . 2.19 109.276 176.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 16.1 m -124.96 158.96 32.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.853 -0.612 . . . . 1.48 111.408 -173.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 30.2 m -86.3 114.52 23.17 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.193 -0.912 . . . . 1.5 110.451 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.411 ' HA ' HG21 ' B' ' 91' ' ' THR . 60.5 t -83.37 133.19 29.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.84 -0.618 . . . . 1.55 110.556 -177.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 63.5 mt -94.23 117.83 30.69 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.012 -0.736 . . . . 1.91 109.012 175.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.14 -10.8 60.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.295 0.569 . . . . 2.34 110.523 -178.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.458 ' HG2' ' HB3' ' B' ' 50' ' ' ARG . 44.7 mt-10 -132.47 116.5 16.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.104 -0.953 . . . . 3.59 109.122 175.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.486 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 16.3 m -89.93 130.46 39.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.308 0.575 . . . . 2.85 110.248 -177.393 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -99.97 99.06 9.76 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.721 -0.672 . . . . 3.25 109.773 -178.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 48.8 mm -114.1 91.22 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.197 -0.456 . . . . 2.98 110.247 -178.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . 0.408 ' C ' ' H ' ' B' ' 47' ' ' SER . 0.9 OUTLIER 59.39 56.58 3.7 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.66 -0.7 . . . . 3.91 110.404 179.134 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 74.61 -19.63 0.36 Allowed 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.415 -0.811 . . . . 5.31 111.804 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' SER . . . . . 0.408 ' H ' ' C ' ' B' ' 45' ' ' ASN . 23.0 t -86.45 115.4 23.93 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.473 -0.566 . . . . 3.54 109.473 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 49.1 t -101.7 122.6 54.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.856 -0.611 . . . . 2.78 111.079 -176.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . 0.46 ' O ' HG21 ' B' ' 42' ' ' VAL . 84.7 m-85 -116.38 125.07 51.55 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.926 -0.579 . . . . 4.84 109.981 175.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.458 ' HB3' ' HG2' ' B' ' 41' ' ' GLU . 14.3 ptp180 -101.41 142.09 33.31 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.749 -0.38 . . . . 5.38 110.57 177.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . 0.403 ' HB3' ' HG3' ' A' ' 88' ' ' LYS . 1.0 OUTLIER -116.51 164.88 13.91 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.175 0.512 . . . . 5.18 111.154 -179.56 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -124.12 123.02 39.4 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.391 -0.966 . . . . 2.96 108.391 175.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -89.52 116.72 27.9 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.934 0.397 . . . . 1.28 110.675 -176.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . 0.407 ' CE1' ' HB2' ' B' ' 19' ' ' SER . 84.8 t80 -83.81 94.89 8.29 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.697 -0.683 . . . . 4.41 109.629 -179.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -102.1 109.14 20.77 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.446 -0.797 . . . . 1.49 110.21 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 15.6 m -91.66 96.61 10.54 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.508 -0.923 . . . . 1.57 108.508 171.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -101.67 152.04 21.3 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.41 -0.814 . . . . 2.93 110.416 -168.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 6.1 t -82.09 116.34 21.63 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.929 -0.578 . . . . 1.77 110.32 -175.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -74.84 -47.86 28.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.855 -0.611 . . . . 3.85 110.405 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -160.63 125.51 3.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.132 -0.486 . . . . 2.96 110.638 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 40.4 t -79.06 135.13 36.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.338 -0.392 . . . . 3.01 110.056 178.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 19.7 m120 64.01 74.81 0.41 Allowed Pre-proline 0 C--N 1.329 -0.316 0 O-C-N 123.693 0.62 . . . . 2.59 111.092 178.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -61.42 -27.37 82.51 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.592 2.194 . . . . 2.81 112.599 179.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 29.4 m -123.39 161.22 25.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.388 -0.369 . . . . 2.53 110.205 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -88.69 40.43 0.97 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.413 0.625 . . . . 4.2 111.274 -175.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 50.2 m -150.06 22.17 0.86 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.609 -0.723 . . . . 4.07 109.37 175.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.56 -104.34 1.48 Allowed Glycine 0 N--CA 1.443 -0.864 0 CA-C-N 115.719 -0.673 . . . . 2.7 111.594 -176.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 93.2 m -135.0 169.05 18.02 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 110.231 -0.285 . . . . 1.76 110.231 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -67.46 125.76 27.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.795 0.331 . . . . 4.4 110.461 -175.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . 0.478 ' O ' ' HA ' ' A' ' 71' ' ' ILE . . . 99.73 -29.81 11.29 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.722 -0.751 . . . . 1.61 111.959 -179.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . 0.495 ' HA ' ' O ' ' A' ' 70' ' ' GLY . 30.8 mm -76.9 84.85 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.19 0.519 . . . . 2.04 110.299 -179.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -102.09 80.11 1.95 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.305 0.574 . . . . 3.32 109.561 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 45.4 t -147.52 138.32 23.44 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.743 -0.662 . . . . 4.99 110.249 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -91.03 -15.78 29.01 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.726 0.774 . . . . 3.33 109.073 174.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -78.74 -28.83 44.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.722 -1.126 . . . . 4.16 109.654 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . 81.6 m95 -113.25 117.85 33.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.8 -0.636 . . . . 3.7 111.525 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -95.96 136.41 36.44 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.089 -1.078 . . . . 3.0 108.089 169.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.633 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 4.7 m -121.79 148.67 44.36 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.875 0.369 . . . . 2.16 111.721 -171.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -154.36 156.01 36.12 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.684 -0.689 . . . . 4.07 109.16 171.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . 0.542 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 25.2 m -99.06 139.46 34.66 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.974 0.416 . . . . 1.67 111.389 -172.316 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 8.9 t -138.69 146.92 42.16 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.734 -0.667 . . . . 2.49 109.49 177.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 14.0 p -91.33 125.65 36.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.103 0.477 . . . . 3.09 112.014 -175.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 88.6 m -76.93 138.28 39.59 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.334 -0.987 . . . . 3.17 108.334 170.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -124.71 132.44 53.38 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.73 -0.388 . . . . 4.39 110.375 -178.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' THR . . . . . 0.611 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 8.9 t -114.39 160.5 19.07 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.066 -0.515 . . . . 1.61 109.716 -178.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . 0.664 ' CE2' ' HB3' ' B' ' 103' ' ' ARG . 83.0 m-85 -120.58 117.45 27.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.833 0.349 . . . . 2.52 110.372 -176.358 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 30.8 m -113.79 156.08 14.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.282 -0.417 . . . . 1.59 110.697 -179.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . 0.414 ' HD3' ' CZ ' ' B' ' 101' ' ' PHE . 32.0 mmmt -84.47 113.24 21.06 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 116.327 -0.397 . . . . 4.22 110.212 177.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.71 146.07 50.69 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.918 -0.583 . . . . 1.57 109.961 177.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 23.4 tp -77.97 104.49 8.56 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.652 -0.87 . . . . 1.87 108.652 176.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' THR . . . . . 0.411 HG21 ' HA ' ' B' ' 38' ' ' VAL . 67.1 p -112.74 145.39 40.61 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.121 -0.491 . . . . 1.44 110.453 -176.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 8.1 t -104.51 126.62 51.76 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.368 0.604 . . . . 1.63 110.357 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -70.84 -31.61 68.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.196 -0.911 . . . . 2.46 109.989 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -171.32 -58.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.134 -0.939 . . . . 3.09 108.568 178.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -125.86 -32.78 2.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.649 -0.705 . . . . 3.76 110.349 173.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -83.89 131.08 34.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.934 0.397 . . . . 3.02 110.744 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.41 136.49 43.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.839 -0.619 . . . . 1.8 110.682 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.06 147.52 32.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.231 -0.441 . . . . 1.79 110.743 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -73.05 107.95 5.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.011 -0.54 . . . . 2.87 110.573 177.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 100' ' ' ARG . . . . . 0.4 HH21 ' CG ' ' B' ' 30' ' ' ASP . 12.3 mmm180 -114.68 163.84 14.89 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.347 -0.388 . . . . 3.93 110.56 -179.182 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . 0.444 ' O ' ' HA ' ' B' ' 30' ' ' ASP . 75.9 m-85 -89.65 113.33 24.78 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.269 -0.641 . . . . 2.75 109.269 173.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 102' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' B' ' 86' ' ' PHE . 41.0 pt -113.47 144.44 21.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 C-N-CA 120.363 -0.535 . . . . 1.33 110.729 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . 0.664 ' HB3' ' CE2' ' B' ' 86' ' ' PHE . 19.0 ptp180 -93.92 131.04 39.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.524 -0.762 . . . . 4.28 111.251 -174.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 104' ' ' ILE . . . . . 0.407 HD12 ' N ' ' B' ' 104' ' ' ILE . 0.2 OUTLIER -131.53 160.21 42.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.847 -0.615 . . . . 1.36 110.545 174.582 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -68.81 123.25 20.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.444 -0.798 . . . . 1.69 110.577 -178.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 2.4 m -96.48 -34.94 11.31 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.621 -0.718 . . . . 2.65 110.54 -177.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -179.38 160.49 1.0 Allowed 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.846 -0.616 . . . . 1.64 110.15 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . 0.542 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 40.0 t -113.11 100.9 8.95 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.676 -0.861 . . . . 1.6 108.676 171.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . 0.475 ' O ' ' HA ' ' B' ' 80' ' ' CYS . 21.9 m -94.94 152.14 3.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.032 -0.531 . . . . 1.53 110.913 -172.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . 0.633 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 32.6 t -103.94 109.33 21.05 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.18 -0.674 . . . . 1.45 109.18 179.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.446 ' O ' ' HA ' ' B' ' 78' ' ' SER . 13.3 m -86.17 153.17 3.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.334 -0.394 . . . . 2.0 110.697 -175.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 81.4 mt -108.95 137.54 46.7 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.802 -0.444 . . . . 1.86 109.802 177.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 43.1 t -132.25 144.41 50.6 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.14 -0.482 . . . . 3.01 110.1 178.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 . . . . . 0 C--N 1.323 -0.564 0 CA-C-O 121.241 0.544 . . . . 7.45 109.93 178.936 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.601 ' HB2' ' O ' ' B' ' 112' ' ' LEU . 62.9 m-85 . . . . . 0 CA--C 1.519 -0.25 0 N-CA-C 109.566 -0.531 . . . . 4.02 109.566 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.0 m -79.76 126.46 30.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.573 -0.739 . . . . 2.58 111.713 -172.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.4 m -64.03 -27.89 43.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 115.713 -0.676 . . . . 1.8 110.184 173.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.2 t -135.65 128.94 32.0 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.014 -0.994 . . . . 1.75 108.326 173.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -56.39 136.25 53.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.115 0.483 . . . . 2.87 111.064 -176.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.408 ' HB3' ' HB3' ' A' ' 108' ' ' CYS . 25.8 p -140.71 145.46 36.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.002 -0.545 . . . . 1.91 111.072 -174.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.509 ' HB ' ' NE ' ' A' ' 59' ' ' ARG . 4.0 p -119.9 116.43 50.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.065 -0.516 . . . . 1.88 111.039 -178.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.431 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 53.9 m -88.05 122.19 31.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.343 -0.389 . . . . 1.95 110.097 177.122 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.2 t -119.52 141.8 37.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.057 -0.52 . . . . 1.55 110.394 -177.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -104.62 97.07 7.02 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.404 -0.591 . . . . 1.86 109.404 173.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 56.4 t -71.73 119.04 17.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.487 -0.779 . . . . 1.41 110.359 -177.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.483 ' HA2' ' CD1' ' A' ' 52' ' ' TYR . . . -88.08 -6.75 74.79 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.986 -0.626 . . . . 1.36 112.57 -177.192 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -158.82 84.62 0.82 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.044 0.45 . . . . 3.02 110.342 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -80.94 138.52 36.1 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.414 -0.587 . . . . 1.64 109.414 175.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.3 p -87.39 -64.74 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.33 0.492 . . . . 2.12 112.33 -174.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.1 p -134.65 149.63 50.56 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.867 0.365 . . . . 1.54 111.616 -175.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -149.2 166.99 27.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.041 -0.527 . . . . 1.29 110.603 176.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.7 m -101.06 118.59 37.29 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.133 -0.485 . . . . 1.53 110.73 -179.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.417 ' OD2' ' HB3' ' A' ' 100' ' ' ARG . 21.9 t70 -71.54 158.33 36.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.662 -0.699 . . . . 1.85 109.454 175.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.8 tt -61.33 -18.92 19.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.876 -0.602 . . . . 1.74 111.587 -175.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -90.22 8.82 31.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.998 0.428 . . . . 2.65 110.869 178.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.99 22.04 56.01 Favored Glycine 0 N--CA 1.453 -0.191 0 CA-C-N 115.902 -0.59 . . . . 1.25 112.991 174.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -104.67 138.76 40.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.943 0.401 . . . . 2.58 111.165 -178.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -90.36 114.6 26.74 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.145 -0.687 . . . . 2.19 109.145 174.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.9 m -123.4 157.18 29.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.956 -0.565 . . . . 1.48 111.193 -174.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.7 m -84.0 124.85 31.49 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.416 -0.811 . . . . 1.5 109.714 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.408 ' HA ' HG21 ' A' ' 91' ' ' THR . 42.1 t -89.09 137.84 20.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.151 -0.477 . . . . 1.55 111.303 -172.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.4 mt -111.54 116.34 30.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.999 -0.546 . . . . 1.91 109.721 176.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.448 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . . . -68.96 -23.22 64.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.263 0.554 . . . . 2.35 110.336 178.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -105.78 126.29 52.0 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.016 -0.993 . . . . 3.59 109.409 176.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 42' ' ' VAL . 19.0 m -90.09 98.6 8.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.868 0.842 . . . . 2.85 110.398 -178.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -85.37 97.65 10.1 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.236 -0.893 . . . . 3.25 109.459 178.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 53.3 mt -94.53 -70.7 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.915 -0.584 . . . . 2.98 109.461 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -163.88 95.18 0.78 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.552 -0.749 . . . . 3.91 109.322 175.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.6 t30 74.88 -46.02 0.59 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.5 0.72 . . . . 5.31 111.045 -177.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.5 m -77.25 114.53 16.16 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.756 0.312 . . . . 3.53 110.22 177.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 16.7 t -135.88 137.53 48.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.766 -0.457 . . . . 2.78 109.766 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -153.61 154.16 33.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.956 0.408 . . . . 4.85 111.177 177.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -117.74 135.25 54.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.627 -0.715 . . . . 5.38 110.017 176.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -120.81 -2.83 9.76 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.356 -0.609 . . . . 5.18 109.356 174.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.483 ' CD1' ' HA2' ' A' ' 23' ' ' GLY . 13.3 m-30 71.05 175.79 0.29 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 114.92 -1.037 . . . . 2.96 110.453 -178.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.448 ' CE2' ' HA ' ' A' ' 40' ' ' ALA . 91.3 m-85 -117.35 127.47 54.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.935 0.398 . . . . 1.28 111.028 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -84.63 110.57 18.83 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.756 -0.656 . . . . 4.41 110.836 -178.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -125.15 116.52 22.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.128 -0.487 . . . . 1.49 109.875 178.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' A' ' 19' ' ' SER . 52.9 m -100.6 110.31 22.45 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.162 0.506 . . . . 1.56 109.82 179.025 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -103.2 155.27 18.55 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.65 -0.704 . . . . 2.93 110.734 -172.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 76.7 m -79.6 123.45 27.62 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.831 -0.622 . . . . 1.77 111.22 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.509 ' NE ' ' HB ' ' A' ' 18' ' ' VAL . 81.3 mtt180 -83.46 98.92 9.78 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.118 -0.697 . . . . 3.84 109.118 173.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 64.3 -165.69 0.23 Allowed 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.613 0.57 . . . . 2.96 110.239 -176.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.8 p -157.7 139.92 14.4 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 121.236 -0.186 . . . . 3.02 111.173 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.475 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 12.9 m120 63.52 74.15 0.45 Allowed Pre-proline 0 N--CA 1.468 0.462 0 O-C-N 123.935 0.772 . . . . 2.59 112.013 176.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -65.73 -21.29 58.65 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.422 2.082 . . . . 2.81 112.151 176.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.4 m -129.57 158.75 42.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.994 -0.548 . . . . 2.53 110.044 178.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 66' ' ' SER . 0.3 OUTLIER -83.56 80.44 9.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.074 0.464 . . . . 4.19 109.928 -178.012 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.413 ' HB2' ' O ' ' A' ' 65' ' ' GLU . 9.4 t 174.14 -36.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.41 -0.959 . . . . 4.07 108.41 179.267 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.528 ' HA3' ' HB2' ' A' ' 78' ' ' SER . . . 164.56 -95.45 0.12 Allowed Glycine 0 N--CA 1.44 -1.066 0 CA-C-N 115.505 -0.77 . . . . 2.7 111.988 179.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 65.7 m -124.96 168.19 13.65 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.679 -0.489 . . . . 1.76 109.679 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -61.38 121.09 11.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.786 0.327 . . . . 4.4 110.293 -177.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' B' ' 71' ' ' ILE . . . 112.07 -32.14 6.52 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.098 -0.572 . . . . 1.61 111.77 -176.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 30.0 mm -79.61 125.75 38.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.704 0.288 . . . . 2.04 110.308 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -147.96 83.33 1.51 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.438 -0.578 . . . . 3.32 109.438 175.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.2 t -145.16 148.39 33.52 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.907 -0.588 . . . . 4.99 110.364 -175.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -96.91 -11.38 24.77 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.355 0.598 . . . . 3.32 109.405 174.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -86.89 -29.12 22.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.278 -0.874 . . . . 4.16 109.897 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.553 ' CE3' ' HB3' ' A' ' 112' ' ' LEU . 94.8 m95 -116.36 138.86 50.99 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.415 -0.811 . . . . 3.71 110.742 -177.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -116.26 133.32 56.15 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.102 -1.073 . . . . 3.0 108.102 167.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.528 ' HB2' ' HA3' ' A' ' 67' ' ' GLY . 1.4 m -120.58 150.08 41.43 Favored 'General case' 0 C--N 1.315 -0.929 0 C-N-CA 120.369 -0.533 . . . . 2.16 110.741 -175.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.5 p90 -155.56 161.72 40.81 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.845 -0.616 . . . . 4.07 109.966 176.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.526 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 9.2 m -84.39 115.2 22.4 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.382 -0.826 . . . . 1.67 110.342 -173.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.8 m -124.79 133.26 53.2 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.105 -0.498 . . . . 2.49 110.02 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.441 ' HA ' ' O ' ' A' ' 107' ' ' ALA . 3.2 p -81.48 131.57 35.28 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.096 0.474 . . . . 3.09 111.331 178.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.6 p -76.54 123.27 25.81 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.008 -0.542 . . . . 3.17 109.642 176.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.547 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 31.3 m80 -105.09 115.88 31.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.241 -0.436 . . . . 4.4 109.937 -176.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.696 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 6.2 t -118.84 162.8 17.88 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.978 -0.378 . . . . 1.61 109.978 -179.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -102.5 116.78 33.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.809 0.338 . . . . 2.52 110.216 -176.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.6 m -109.7 142.12 23.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.985 -0.552 . . . . 1.59 110.962 -178.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -77.45 103.11 7.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.61 -0.723 . . . . 4.22 110.902 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.04 147.96 50.95 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.508 -0.769 . . . . 1.57 110.433 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.7 tp -72.66 118.0 15.04 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.89 -0.782 . . . . 1.87 108.89 174.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.408 HG21 ' HA ' ' A' ' 38' ' ' VAL . 76.8 p -127.0 158.01 38.03 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 116.223 -0.444 . . . . 1.44 109.961 -178.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.7 t -120.45 121.4 38.42 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.768 0.794 . . . . 1.63 110.224 177.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -69.32 -43.65 73.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.83 -1.077 . . . . 2.47 110.421 178.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -165.51 -69.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 3.09 110.596 177.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -100.42 -29.84 12.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.912 0.387 . . . . 3.75 111.025 -178.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -108.58 151.08 26.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.915 0.388 . . . . 3.02 111.371 -176.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -114.6 135.64 53.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.752 -0.658 . . . . 1.8 109.777 175.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.35 159.35 43.46 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.654 0.264 . . . . 1.79 110.643 -177.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -74.8 114.6 13.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.166 -0.47 . . . . 2.88 110.324 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.417 ' HB3' ' OD2' ' A' ' 30' ' ' ASP . 74.5 mmt-85 -122.08 173.18 7.72 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.992 -0.549 . . . . 3.92 109.781 178.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -119.73 104.42 10.22 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.03 -0.73 . . . . 2.74 109.03 -174.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 30.0 pt -111.97 143.17 22.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.024 0.44 . . . . 1.33 111.464 -168.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.696 ' HA ' ' O ' ' A' ' 85' ' ' THR . 0.1 OUTLIER -79.33 128.39 33.27 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.454 -0.793 . . . . 4.27 111.128 -177.771 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.547 ' O ' ' HA ' ' A' ' 84' ' ' HIS . 45.9 pt -130.12 153.0 38.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.564 -0.744 . . . . 1.36 110.104 175.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.438 ' HB2' ' HB ' ' A' ' 82' ' ' THR . 4.3 p-10 -82.9 103.51 12.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.581 0.705 . . . . 1.69 110.071 175.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.7 m -90.85 -31.18 16.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.261 -0.881 . . . . 2.66 112.04 -170.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.441 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -150.21 155.47 39.81 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.627 0.251 . . . . 1.64 110.557 -178.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.526 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 41.0 t -108.1 108.68 19.87 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.345 -0.613 . . . . 1.59 109.345 176.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 17.7 m -109.21 159.1 8.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.901 -0.591 . . . . 1.52 110.344 -174.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.419 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 13.4 t -97.81 107.67 20.22 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.75 -0.833 . . . . 1.45 108.75 176.093 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 78' ' ' SER . 27.7 m -93.37 153.47 3.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.32 -0.4 . . . . 2.0 110.83 -175.241 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.553 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . 97.5 mt -102.08 141.78 34.39 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.08 -0.509 . . . . 1.86 110.687 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.2 t -122.66 138.59 54.55 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.741 -0.837 . . . . 3.01 108.741 170.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 C--N 1.329 -0.323 0 O-C-N 123.443 0.464 . . . . 7.46 111.915 -173.278 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' PHE . . . . . 0.469 ' HB2' ' O ' ' A' ' 112' ' ' LEU . 61.8 m-85 . . . . . 0 CA--C 1.519 -0.244 0 N-CA-C 109.621 -0.511 . . . . 4.01 109.621 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 22.9 m -79.72 126.09 30.49 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.625 -0.716 . . . . 2.58 111.699 -172.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 19.1 m -63.95 -27.87 43.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 115.733 -0.667 . . . . 1.81 110.23 173.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 48.0 t -135.55 129.27 32.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.818 -1.083 . . . . 1.75 108.172 173.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -56.72 136.33 55.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.0 0.429 . . . . 2.87 111.155 -177.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' SER . . . . . 0.402 ' HB3' ' HB3' ' B' ' 108' ' ' CYS . 29.7 p -140.49 145.62 37.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.121 -0.49 . . . . 1.91 111.062 -174.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.512 ' HB ' ' NE ' ' B' ' 59' ' ' ARG . 3.9 p -120.16 116.47 50.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.206 -0.452 . . . . 1.88 110.99 -178.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.42 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 50.6 m -88.44 121.52 30.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.319 -0.4 . . . . 1.95 110.313 177.305 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 50.7 t -118.88 142.12 35.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.977 -0.556 . . . . 1.55 110.403 -177.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -104.75 97.17 7.1 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.37 -0.604 . . . . 1.86 109.37 173.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 57.3 t -72.01 118.89 17.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.395 -0.82 . . . . 1.41 110.269 -177.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.47 ' HA2' ' CD1' ' B' ' 52' ' ' TYR . . . -88.16 -6.66 74.61 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.008 -0.615 . . . . 1.36 112.667 -177.036 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -158.87 84.63 0.81 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.059 0.457 . . . . 3.01 110.321 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -80.94 138.77 36.11 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.328 -0.619 . . . . 1.64 109.328 175.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 9.3 p -87.79 -64.46 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.247 0.462 . . . . 2.11 112.247 -174.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.1 p -135.01 149.48 50.18 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.956 0.408 . . . . 1.53 111.696 -175.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -149.38 166.76 28.07 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.003 -0.544 . . . . 1.29 110.564 177.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 7.0 m -100.79 118.77 37.54 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.984 -0.553 . . . . 1.52 110.579 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -71.81 158.13 36.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.619 -0.719 . . . . 1.84 109.479 175.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.8 tt -61.39 -18.58 18.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.905 -0.589 . . . . 1.74 111.715 -175.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -90.34 8.44 33.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.974 0.416 . . . . 2.65 110.807 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.72 23.24 53.81 Favored Glycine 0 N--CA 1.453 -0.2 0 CA-C-N 115.978 -0.555 . . . . 1.25 113.059 174.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -105.5 138.87 40.99 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.653 0.263 . . . . 2.58 111.197 -178.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -90.57 114.76 27.07 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.11 -0.7 . . . . 2.19 109.11 174.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 19.9 m -123.41 157.36 29.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.999 -0.546 . . . . 1.48 111.171 -174.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 26.0 m -84.26 124.58 31.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.498 -0.774 . . . . 1.5 109.771 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.41 ' HA ' HG21 ' B' ' 91' ' ' THR . 42.4 t -88.8 137.95 20.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 116.171 -0.468 . . . . 1.55 111.304 -172.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 69.3 mt -111.63 116.18 30.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.13 -0.486 . . . . 1.91 109.717 176.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.449 ' HA ' ' CE2' ' B' ' 53' ' ' PHE . . . -68.6 -23.09 64.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.447 0.641 . . . . 2.34 110.462 178.33 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -106.09 126.19 51.91 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.938 -1.028 . . . . 3.59 109.39 177.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.414 ' O ' HG23 ' B' ' 42' ' ' VAL . 19.1 m -90.11 98.8 8.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 121.904 0.859 . . . . 2.85 110.42 -178.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -85.73 97.52 10.19 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.206 -0.906 . . . . 3.25 109.39 178.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 53.0 mt -94.33 -70.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.781 -0.645 . . . . 2.98 109.428 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -164.39 95.15 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.519 -0.764 . . . . 3.91 109.155 175.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 10.1 t30 74.83 -45.67 0.58 Allowed 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.893 0.746 . . . . 5.31 111.313 -177.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 14.0 m -78.13 114.48 17.04 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.058 -0.349 . . . . 3.54 110.058 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 17.0 t -135.8 137.95 48.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.96 -0.564 . . . . 2.78 109.621 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -153.82 154.52 34.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.93 0.395 . . . . 4.84 111.015 177.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -117.75 135.2 54.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.639 -0.709 . . . . 5.38 109.999 176.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -120.9 -2.22 9.79 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.363 -0.606 . . . . 5.18 109.363 173.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' TYR . . . . . 0.47 ' CD1' ' HA2' ' B' ' 23' ' ' GLY . 13.5 m-30 70.75 175.74 0.29 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 114.777 -1.101 . . . . 2.96 110.463 -178.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . 0.449 ' CE2' ' HA ' ' B' ' 40' ' ' ALA . 91.5 m-85 -117.33 127.46 54.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.801 0.334 . . . . 1.28 111.036 179.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -84.69 110.64 18.91 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.81 -0.632 . . . . 4.41 110.856 -178.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -125.05 116.73 22.58 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.083 -0.508 . . . . 1.49 109.887 177.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' THR . . . . . 0.42 ' HA ' ' HA ' ' B' ' 19' ' ' SER . 52.7 m -100.6 110.44 22.58 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.101 0.477 . . . . 1.57 109.883 178.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -103.23 155.13 18.66 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.706 -0.679 . . . . 2.93 110.704 -172.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 75.7 m -79.62 123.33 27.53 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.901 -0.59 . . . . 1.77 111.124 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' ARG . . . . . 0.512 ' NE ' ' HB ' ' B' ' 18' ' ' VAL . 81.2 mtt180 -83.47 98.91 9.78 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.109 -0.701 . . . . 3.85 109.109 174.132 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . 64.59 -165.7 0.23 Allowed 'General case' 0 C--O 1.233 0.226 0 O-C-N 123.594 0.559 . . . . 2.96 110.125 -176.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 9.8 p -157.81 140.08 14.41 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 121.188 -0.205 . . . . 3.01 111.2 -179.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . 0.467 ' HA ' ' O ' ' B' ' 67' ' ' GLY . 12.6 m120 63.09 74.66 0.44 Allowed Pre-proline 0 N--CA 1.468 0.429 0 O-C-N 123.842 0.714 . . . . 2.59 111.774 176.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -65.52 -22.16 59.09 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.394 2.063 . . . . 2.81 112.055 176.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 35.4 m -129.06 158.65 41.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.03 -0.532 . . . . 2.53 110.062 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' B' ' 66' ' ' SER . 0.3 OUTLIER -83.53 80.8 8.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.134 0.493 . . . . 4.2 109.747 -178.211 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' SER . . . . . 0.432 ' HB2' ' O ' ' B' ' 65' ' ' GLU . 9.5 t 173.93 -36.53 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.88 -1.054 . . . . 4.07 108.426 178.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.513 ' HA3' ' HB2' ' B' ' 78' ' ' SER . . . 164.45 -95.59 0.12 Allowed Glycine 0 N--CA 1.442 -0.942 0 CA-C-N 115.432 -0.804 . . . . 2.7 112.045 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 65.3 m -124.83 168.26 13.49 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.657 -0.497 . . . . 1.76 109.657 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -61.51 120.82 11.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.343 . . . . 4.4 110.41 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 112.68 -32.86 5.95 Favored Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 111.483 -0.647 . . . . 1.61 111.483 -176.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 70' ' ' GLY . 30.0 mm -78.97 125.57 38.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 110.259 -0.274 . . . . 2.04 110.259 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -147.73 83.27 1.53 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.424 -0.584 . . . . 3.32 109.424 175.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 42.3 t -145.15 148.04 33.15 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.016 -0.538 . . . . 4.99 110.479 -175.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -96.43 -11.69 25.3 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.302 -0.629 . . . . 3.33 109.302 174.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -86.81 -28.98 22.61 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.512 -0.767 . . . . 4.16 109.856 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' TRP . . . . . 0.561 ' CE3' ' HB3' ' B' ' 112' ' ' LEU . 95.0 m95 -116.57 138.56 51.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.554 -0.748 . . . . 3.7 110.892 -177.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -115.9 133.25 56.22 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.111 -1.07 . . . . 3.0 108.111 167.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' SER . . . . . 0.513 ' HB2' ' HA3' ' B' ' 67' ' ' GLY . 1.4 m -120.55 149.94 41.64 Favored 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 120.345 -0.542 . . . . 2.16 110.78 -175.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -155.44 161.86 40.88 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.769 -0.65 . . . . 4.07 110.003 176.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' CYS . . . . . 0.533 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 9.0 m -84.45 115.16 22.41 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.364 -0.835 . . . . 1.67 110.44 -173.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 88.1 m -124.72 133.24 53.25 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.069 -0.514 . . . . 2.49 110.097 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' B' ' 107' ' ' ALA . 3.0 p -81.55 131.53 35.28 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-O 120.977 0.417 . . . . 3.09 111.282 178.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 15.6 p -76.61 123.54 26.26 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 116.136 -0.483 . . . . 3.17 109.735 176.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' HIS . . . . . 0.525 ' HA ' ' O ' ' B' ' 104' ' ' ILE . 31.5 m80 -105.31 115.76 30.81 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.809 -0.441 . . . . 4.39 109.809 -176.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' THR . . . . . 0.698 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 6.2 t -118.91 162.81 17.88 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.066 -0.346 . . . . 1.61 110.066 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -102.42 116.74 33.25 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.867 0.365 . . . . 2.52 110.212 -176.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 21.7 m -109.62 142.32 22.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.11 -0.496 . . . . 1.59 110.919 -178.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -77.74 103.16 7.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.61 -0.723 . . . . 4.22 110.849 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.09 147.95 50.99 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.417 -0.81 . . . . 1.57 110.32 -179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 15.6 tp -72.68 117.77 14.78 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.882 -0.784 . . . . 1.87 108.882 174.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' THR . . . . . 0.41 HG21 ' HA ' ' B' ' 38' ' ' VAL . 77.7 p -126.97 158.01 38.0 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.211 -0.449 . . . . 1.44 109.925 -178.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 12.0 t -120.32 121.32 38.36 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.763 0.792 . . . . 1.63 110.222 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -68.93 -43.79 74.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.975 -1.011 . . . . 2.46 110.461 177.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -165.57 -70.09 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.105 -0.498 . . . . 3.09 110.605 177.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -99.61 -30.48 12.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.874 0.368 . . . . 3.76 111.161 -178.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -108.19 151.07 26.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.826 0.346 . . . . 3.02 111.383 -176.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -114.85 135.13 54.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.756 -0.657 . . . . 1.8 109.662 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.03 158.87 43.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.752 0.31 . . . . 1.79 110.485 -177.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -74.12 114.99 13.08 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.119 -0.491 . . . . 2.87 110.474 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 74.6 mmt-85 -122.45 173.11 7.86 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.956 -0.566 . . . . 3.93 109.852 178.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -119.66 104.52 10.34 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.136 -0.69 . . . . 2.75 109.136 -174.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 30.2 pt -111.89 143.21 22.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.181 -0.463 . . . . 1.33 111.517 -168.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 103' ' ' ARG . . . . . 0.698 ' HA ' ' O ' ' B' ' 85' ' ' THR . 0.1 OUTLIER -79.34 128.55 33.47 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.529 -0.76 . . . . 4.28 111.122 -177.872 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 104' ' ' ILE . . . . . 0.525 ' O ' ' HA ' ' B' ' 84' ' ' HIS . 45.9 pt -130.22 153.05 38.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.447 -0.797 . . . . 1.36 110.098 175.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . 0.447 ' HB2' ' HB ' ' B' ' 82' ' ' THR . 4.9 p-10 -83.0 103.47 12.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.523 0.677 . . . . 1.69 109.988 176.029 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 8.6 m -90.8 -31.32 16.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.323 -0.853 . . . . 2.65 112.059 -170.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . 0.452 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -150.07 155.3 39.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.683 -0.235 . . . . 1.64 110.618 -178.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 108' ' ' CYS . . . . . 0.533 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 42.0 t -107.75 108.87 20.27 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.29 -0.633 . . . . 1.6 109.29 176.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 17.6 m -109.28 159.0 8.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.044 -0.525 . . . . 1.53 110.424 -175.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 13.6 t -97.73 107.58 20.11 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.727 -0.842 . . . . 1.45 108.727 176.195 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . 0.466 ' O ' ' HA ' ' B' ' 78' ' ' SER . 27.2 m -93.33 153.58 3.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.295 -0.411 . . . . 2.0 110.795 -175.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . 0.601 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 98.3 mt -102.03 142.25 33.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.973 -0.558 . . . . 1.86 110.638 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 32.7 t -123.1 138.51 54.65 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.713 -0.847 . . . . 3.01 108.713 170.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 7.45 111.948 -173.241 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.477 0.876 0 CA-C-O 120.866 0.365 . . . . 14.21 110.536 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 p -97.88 20.91 11.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.104 0.478 . . . . 12.85 111.039 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.4 p -84.35 44.49 1.03 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.085 -0.507 . . . . 11.6 111.625 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 47.8 p-80 -147.2 109.44 3.96 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.996 -0.547 . . . . 10.94 110.085 178.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -83.24 41.34 1.07 Allowed 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.596 2.198 . . . . 8.15 112.055 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.0 t 54.86 46.92 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 115.757 -0.656 . . . . 7.04 109.632 -177.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 54.7 t80 65.44 -69.62 0.1 Allowed 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.037 -0.983 . . . . 7.84 110.717 -174.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -148.87 51.23 0.98 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.142 -1.058 . . . . 8.41 108.142 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 21.3 ptp 45.69 39.16 4.77 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 114.911 -1.04 . . . . 5.62 111.326 -174.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.63 -135.77 4.96 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.126 -0.943 . . . . 4.39 110.825 -176.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 71.91 -43.8 0.57 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.445 0.698 . . . . 4.63 111.817 177.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -60.98 143.32 55.49 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.846 -0.428 . . . . 4.02 109.846 175.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.8 t -121.45 175.37 6.22 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.822 -0.351 . . . . 2.58 110.488 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.2 m -61.78 -28.04 43.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.133 0.492 . . . . 1.8 110.839 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.5 t -135.47 156.8 48.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.512 -0.767 . . . . 1.75 109.269 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -96.5 115.47 27.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.21 0.528 . . . . 2.87 110.585 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.6 p -112.66 148.98 33.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.6 -0.727 . . . . 1.91 110.795 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -123.7 117.7 51.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.327 -0.397 . . . . 1.88 110.127 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.443 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 8.1 t -103.58 116.72 32.89 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.766 -0.457 . . . . 1.95 109.766 -178.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.3 t -119.93 138.16 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.089 -0.505 . . . . 1.55 110.51 -177.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -90.76 95.19 10.01 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.126 -0.694 . . . . 1.86 109.126 174.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.3 t -88.1 129.37 39.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.169 -0.923 . . . . 1.41 110.908 -173.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -114.44 -16.01 7.9 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 110.941 -0.864 . . . . 1.36 110.941 173.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -89.22 21.89 3.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.949 0.404 . . . . 3.02 110.878 -176.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.554 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 40.1 tttp -76.38 111.64 12.04 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.623 -0.88 . . . . 1.64 108.623 176.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.459 ' O ' ' HA ' ' A' ' 37' ' ' THR . 9.1 t -97.98 -17.23 19.3 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.564 0.221 . . . . 2.12 111.595 -173.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 p -144.52 139.72 28.41 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.763 0.316 . . . . 1.54 111.145 -178.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -154.0 153.73 32.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.694 -0.685 . . . . 1.29 110.021 176.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.0 m -95.21 121.1 36.5 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.544 -0.298 . . . . 1.53 110.679 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.443 ' OD1' ' HB3' ' A' ' 100' ' ' ARG . 21.5 t70 -67.39 161.18 25.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.926 -0.579 . . . . 1.85 109.67 175.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.0 tt -59.8 -25.44 32.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.306 -0.406 . . . . 1.74 111.6 -176.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -82.52 -2.43 53.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.933 0.397 . . . . 2.65 110.835 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.84 25.23 25.52 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.966 -0.635 . . . . 1.25 112.188 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -99.31 119.04 37.28 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.496 -0.187 . . . . 2.58 110.496 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -78.82 113.44 16.91 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.588 -0.893 . . . . 2.19 108.588 176.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.7 m -122.48 157.12 27.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-O 121.281 0.562 . . . . 1.48 111.462 -172.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' ' 26' ' ' THR . 31.7 m -86.25 119.09 26.15 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 115.215 -0.902 . . . . 1.5 109.797 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.554 ' HB ' ' O ' ' A' ' 25' ' ' LYS . 41.7 t -89.6 138.99 18.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.696 -0.684 . . . . 1.55 110.625 -176.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 42.5 mt -100.28 137.41 38.74 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.956 -0.565 . . . . 1.91 109.48 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.11 -28.82 67.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.495 0.664 . . . . 2.35 110.19 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -129.51 140.09 51.35 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.994 -1.003 . . . . 3.59 109.136 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.6 m -89.49 115.48 29.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.578 0.704 . . . . 2.85 110.48 -177.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -102.95 99.35 9.24 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.303 -0.862 . . . . 3.25 109.434 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.6 mt -82.64 -81.09 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.862 -0.422 . . . . 2.98 109.862 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -124.81 -68.09 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.48 -0.563 . . . . 3.91 109.48 173.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -130.35 33.58 4.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.871 -0.604 . . . . 5.31 109.965 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.8 m -139.89 124.1 17.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.841 -0.618 . . . . 3.53 109.856 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.8 t -118.39 118.41 57.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.337 -0.392 . . . . 2.78 110.666 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -120.81 136.12 54.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.429 -0.35 . . . . 4.85 110.645 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -80.51 105.73 11.98 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.932 -0.766 . . . . 5.38 108.932 175.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.551 ' HB2' ' CD ' ' B' ' 88' ' ' LYS . 28.9 pt20 -82.68 -55.25 4.55 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.375 0.509 . . . . 5.18 112.375 -170.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 64.01 161.12 0.11 Allowed 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.452 0.644 . . . . 2.96 111.819 -176.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -134.56 131.54 38.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.96 -0.564 . . . . 1.28 110.686 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -84.43 94.94 8.63 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.468 0.652 . . . . 4.41 110.023 177.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.52 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 19.5 mt-10 -101.17 112.45 24.94 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.929 -0.578 . . . . 1.49 110.054 -179.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.443 ' HA ' ' HA ' ' A' ' 19' ' ' SER . 19.8 m -99.88 104.86 16.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.166 -0.925 . . . . 1.56 110.133 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -103.39 165.04 11.27 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.857 -0.611 . . . . 2.93 110.376 -175.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 70.6 m -87.79 119.26 27.95 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.94 -0.573 . . . . 1.77 110.232 177.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -69.38 -31.04 69.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.517 0.675 . . . . 3.84 109.654 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -144.41 135.7 25.44 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.978 -1.01 . . . . 2.96 109.104 176.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.9 p -78.9 -21.75 46.95 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.273 0.559 . . . . 3.02 110.007 177.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -146.86 95.77 4.44 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 114.984 -1.007 . . . . 2.59 109.042 176.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.72 -33.55 88.0 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.47 2.113 . . . . 2.81 111.843 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.2 m -122.21 154.4 26.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.075 -0.511 . . . . 2.53 109.733 174.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -77.67 67.45 3.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.026 0.441 . . . . 4.19 110.825 -176.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.419 ' HB2' ' CB ' ' A' ' 73' ' ' SER . 81.5 p -179.5 -33.29 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.246 -0.888 . . . . 4.07 109.932 -179.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 169.05 -112.11 0.46 Allowed Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.811 -0.631 . . . . 2.7 111.68 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 95.7 m -117.29 161.01 20.19 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.976 -0.379 . . . . 1.76 109.976 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 69' ' ' ARG . 31.7 mtm180 -68.97 132.2 46.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.428 -0.351 . . . . 4.4 110.902 -176.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.55 -28.68 8.03 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.043 -0.599 . . . . 1.61 112.671 178.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.3 mm -69.89 134.64 29.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.835 0.35 . . . . 2.04 111.405 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -68.74 95.09 0.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.148 -0.686 . . . . 3.32 109.148 172.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.594 ' HA ' ' O ' ' A' ' 76' ' ' TRP . 15.8 m -78.24 9.18 4.01 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.12 -0.491 . . . . 4.99 111.599 -172.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -90.87 -39.77 12.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.18 0.514 . . . . 3.32 109.983 176.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -100.56 -27.86 13.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.749 -0.66 . . . . 4.16 110.389 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.594 ' O ' ' HA ' ' A' ' 73' ' ' SER . 99.6 m95 -117.63 122.85 44.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.226 0.536 . . . . 3.71 111.227 -178.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -93.04 135.07 34.55 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.153 -1.054 . . . . 3.0 108.153 170.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.465 ' HA ' ' O ' ' A' ' 111' ' ' VAL . 1.4 m -132.38 149.36 52.37 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.709 -0.396 . . . . 2.16 111.339 -172.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.9 p90 -158.25 152.33 24.05 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.821 -0.627 . . . . 4.07 109.66 170.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.591 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 38.2 m -88.34 115.02 25.54 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.6 -0.727 . . . . 1.67 110.859 -176.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.6 m -103.77 127.69 51.22 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.638 -0.71 . . . . 2.49 109.81 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.7 m -85.15 115.72 23.1 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.009 -0.367 . . . . 3.09 110.009 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.6 p -81.96 134.01 35.35 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 120.978 0.418 . . . . 3.17 110.972 -175.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -104.17 136.7 43.3 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.981 -0.554 . . . . 4.4 110.333 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.625 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 11.7 t -132.48 163.18 29.38 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.421 -0.585 . . . . 1.61 109.421 177.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.405 ' HB3' ' HB3' ' A' ' 101' ' ' PHE . 91.6 m-85 -107.34 116.87 32.7 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.918 0.39 . . . . 2.52 110.07 -176.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 101' ' ' PHE . 22.1 m -109.41 139.04 33.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.342 0.591 . . . . 1.59 111.764 -175.114 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.542 ' CD ' ' HB2' ' B' ' 51' ' ' GLN . 10.0 pttp -67.13 103.47 1.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.706 -1.133 . . . . 4.22 111.359 177.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.87 151.83 50.01 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.354 -0.839 . . . . 1.57 110.7 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.1 tp -81.8 109.91 16.62 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.831 -0.803 . . . . 1.87 108.831 172.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 47.6 p -128.51 155.39 44.93 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.092 -0.504 . . . . 1.44 110.381 -175.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.412 HG23 ' HB ' ' A' ' 37' ' ' THR . 9.7 t -117.65 123.43 46.1 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.25 0.548 . . . . 1.63 110.152 178.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -74.59 -19.09 60.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.956 -0.566 . . . . 2.47 110.108 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -166.11 -73.0 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.769 -0.651 . . . . 3.09 109.617 177.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -136.33 25.6 3.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 3.75 110.836 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -134.92 106.63 6.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.246 -0.434 . . . . 3.02 110.639 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.82 119.39 18.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.153 -0.476 . . . . 1.8 110.239 177.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -140.82 150.99 44.0 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.098 -0.501 . . . . 1.79 110.577 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -77.23 111.05 12.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.021 -0.536 . . . . 2.88 110.485 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.443 ' HB3' ' OD1' ' A' ' 30' ' ' ASP . 42.7 mmt-85 -125.04 178.13 5.69 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.836 -0.62 . . . . 3.92 110.069 -178.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.431 ' O ' ' HA ' ' A' ' 30' ' ' ASP . 77.3 m-85 -117.4 108.97 16.21 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.253 -0.647 . . . . 2.74 109.253 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 32.4 pt -111.78 144.29 19.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.25 0.548 . . . . 1.33 111.358 -171.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.625 ' HA ' ' O ' ' A' ' 85' ' ' THR . 16.1 ptt180 -74.85 119.88 19.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.299 -0.864 . . . . 4.27 111.639 -176.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 40.9 pt -122.91 160.6 25.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.167 -0.924 . . . . 1.36 109.137 171.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.52 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 61.3 m-20 -81.46 113.32 19.44 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.103 -0.703 . . . . 1.69 109.103 176.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.4 t -95.47 -31.28 13.43 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.742 -0.383 . . . . 2.66 111.827 -172.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -157.05 166.08 34.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.107 0.48 . . . . 1.64 111.684 -176.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.591 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 44.3 t -124.93 106.29 9.87 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.746 -0.835 . . . . 1.59 108.746 176.25 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 18.8 m -105.46 142.29 18.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.045 0.45 . . . . 1.52 111.262 -172.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.41 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 40.9 t -89.82 114.01 25.68 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.864 -0.791 . . . . 1.45 108.864 173.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' A' ' 78' ' ' SER . 32.9 m -94.6 144.81 9.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 C-N-CA 120.697 -0.401 . . . . 2.0 110.213 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.538 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . 85.4 mt -113.24 138.8 49.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.059 -0.519 . . . . 1.86 110.333 -178.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.6 t -133.07 148.58 52.18 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.786 -0.643 . . . . 3.01 109.389 175.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -79.74 7.81 7.87 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 121.275 -0.17 . . . . 7.46 110.866 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt 46.9 36.35 3.91 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.261 1.024 . . . . 4.91 111.659 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -127.02 109.93 12.42 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.515 -0.766 . . . . 4.73 109.928 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 23.3 p -83.17 151.75 25.56 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.347 -0.388 . . . . 6.02 110.674 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.62 -0.705 . . . . 9.37 109.785 -179.673 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.473 0.696 0 CA-C-O 120.742 0.306 . . . . 14.21 110.293 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 12.4 p -97.87 19.7 13.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.072 0.463 . . . . 12.86 110.919 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 1.5 p -83.19 44.23 0.93 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.23 0.538 . . . . 11.6 111.679 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -146.92 109.31 4.03 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.102 -0.499 . . . . 10.95 110.17 178.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -83.05 41.37 1.09 Allowed 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.558 2.172 . . . . 8.15 111.982 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 8.9 t 54.67 47.01 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 115.69 -0.687 . . . . 7.04 109.626 -177.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 54.4 t80 65.51 -69.67 0.1 Allowed 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.085 -0.961 . . . . 7.83 110.716 -175.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 32.9 t60 -148.94 51.18 0.98 Allowed 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.168 -1.049 . . . . 8.41 108.168 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 21.2 ptp 45.82 39.84 5.81 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 114.968 -1.015 . . . . 5.62 111.153 -174.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.75 -135.64 5.0 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.163 -0.926 . . . . 4.39 110.956 -176.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 71.91 -44.0 0.58 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.447 0.699 . . . . 4.62 111.902 177.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -60.86 143.53 54.65 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.841 -0.429 . . . . 4.01 109.841 175.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 20.8 t -121.9 175.32 6.37 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 120.933 -0.307 . . . . 2.58 110.362 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 31.1 m -61.84 -28.0 43.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.14 0.495 . . . . 1.81 110.857 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 49.3 t -135.44 156.62 48.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.519 -0.764 . . . . 1.75 109.356 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -96.18 115.52 27.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.031 0.443 . . . . 2.87 110.612 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 20.1 p -112.59 149.25 33.04 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.768 -0.651 . . . . 1.91 110.656 -178.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -123.88 117.6 51.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.242 -0.435 . . . . 1.88 110.203 177.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.45 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 8.1 t -103.38 116.65 32.82 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.849 -0.426 . . . . 1.95 109.849 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 60.5 t -119.78 138.16 51.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.247 -0.433 . . . . 1.55 110.645 -177.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 81.4 m95 -90.93 95.14 9.97 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.591 0.71 . . . . 1.86 109.09 174.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 48.5 t -88.21 129.48 39.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.111 -0.95 . . . . 1.41 110.898 -173.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -114.49 -16.29 7.7 Favored Glycine 0 N--CA 1.444 -0.796 0 N-CA-C 110.917 -0.873 . . . . 1.36 110.917 173.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -88.62 21.66 2.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 3.01 110.843 -176.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.545 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 40.2 tttp -76.14 111.51 11.63 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.747 -0.834 . . . . 1.64 108.747 176.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.469 ' O ' ' HA ' ' B' ' 37' ' ' THR . 9.5 t -97.82 -17.57 19.25 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 111.549 0.204 . . . . 2.11 111.549 -173.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.4 p -144.13 139.79 29.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.795 0.331 . . . . 1.53 111.17 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -153.85 153.51 32.23 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.846 -0.616 . . . . 1.29 110.052 176.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 3.0 m -95.17 120.99 36.34 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.572 -0.286 . . . . 1.52 110.757 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . 0.46 ' OD1' ' HB3' ' B' ' 100' ' ' ARG . 21.4 t70 -67.3 160.89 26.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.902 -0.59 . . . . 1.84 109.742 175.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.7 tt -59.69 -25.33 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.25 -0.432 . . . . 1.74 111.599 -176.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -82.89 -1.47 52.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.866 0.365 . . . . 2.65 110.923 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.31 24.56 28.63 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.827 -0.702 . . . . 1.25 112.217 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -98.98 118.73 36.43 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.892 -0.181 . . . . 2.58 110.555 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 28.7 tp10 -78.6 113.47 16.66 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.602 -0.888 . . . . 2.19 108.602 176.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 28.1 m -122.47 157.1 27.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-O 121.206 0.527 . . . . 1.48 111.432 -172.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' B' ' 26' ' ' THR . 32.3 m -86.39 118.95 26.15 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.201 -0.908 . . . . 1.5 109.697 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.545 ' HB ' ' O ' ' B' ' 25' ' ' LYS . 41.9 t -89.58 138.72 18.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 115.72 -0.673 . . . . 1.55 110.59 -175.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 42.5 mt -100.0 137.61 38.21 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.881 -0.599 . . . . 1.91 109.63 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.15 -29.11 67.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.648 0.737 . . . . 2.34 110.361 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -129.09 140.06 51.74 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.744 -1.117 . . . . 3.59 109.204 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 33.7 m -89.52 115.56 29.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.654 0.74 . . . . 2.85 110.479 -177.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -102.83 99.34 9.28 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.29 -0.868 . . . . 3.25 109.336 177.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 62.2 mt -82.69 -81.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.81 -0.441 . . . . 2.98 109.81 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -124.68 -68.6 0.84 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.303 -0.629 . . . . 3.91 109.303 173.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -129.92 33.51 4.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.854 -0.612 . . . . 5.31 109.959 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 20.1 m -139.73 124.33 18.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.843 -0.617 . . . . 3.54 109.793 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 40.9 t -118.57 118.84 59.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.34 -0.391 . . . . 2.78 110.544 -179.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -121.47 135.91 55.0 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.577 -0.283 . . . . 4.84 110.546 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 66.6 mtm180 -80.26 105.72 11.73 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.994 -0.743 . . . . 5.38 108.994 175.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . 0.542 ' HB2' ' CD ' ' A' ' 88' ' ' LYS . 29.0 pt20 -82.57 -55.06 4.69 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.523 0.564 . . . . 5.18 112.523 -170.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 63.81 161.27 0.1 Allowed 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.605 0.717 . . . . 2.96 111.767 -176.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -134.79 131.52 37.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.849 -0.614 . . . . 1.28 110.706 177.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -84.36 94.97 8.6 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.477 0.656 . . . . 4.41 109.983 177.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . 0.515 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 19.8 mt-10 -101.07 112.62 25.13 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.927 -0.578 . . . . 1.49 110.033 -179.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.45 ' HA ' ' HA ' ' B' ' 19' ' ' SER . 19.5 m -99.93 104.99 16.66 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.254 -0.884 . . . . 1.57 110.194 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -103.39 165.21 11.17 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.755 -0.657 . . . . 2.93 110.388 -175.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 72.9 m -87.74 119.47 28.1 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.991 -0.55 . . . . 1.77 109.987 177.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -69.61 -31.05 68.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.375 0.607 . . . . 3.85 109.555 176.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -144.35 135.58 25.41 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.031 -0.986 . . . . 2.96 109.226 176.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 14.1 p -78.82 -21.73 47.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.267 0.556 . . . . 3.01 110.027 178.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -146.75 95.5 4.52 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.036 -0.984 . . . . 2.59 109.145 176.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.66 -32.85 85.3 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.451 2.101 . . . . 2.81 111.972 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 23.7 m -122.63 154.68 27.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.024 -0.535 . . . . 2.53 109.765 174.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -78.19 67.68 4.06 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.925 0.393 . . . . 4.2 110.649 -176.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' SER . . . . . 0.431 ' HB2' ' CB ' ' B' ' 73' ' ' SER . 83.0 p -179.69 -33.21 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.253 -0.885 . . . . 4.07 110.071 -179.243 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 169.06 -112.22 0.46 Allowed Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.912 -0.585 . . . . 2.7 111.677 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 95.3 m -117.19 160.93 20.28 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.955 -0.387 . . . . 1.76 109.955 177.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 31.5 mtm180 -68.88 131.99 46.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.527 -0.306 . . . . 4.4 110.83 -176.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.58 -27.8 9.22 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.973 -0.632 . . . . 1.61 112.531 178.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 47.4 mm -70.55 134.33 30.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.883 0.373 . . . . 2.04 111.439 -177.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -68.64 95.29 0.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.127 -0.694 . . . . 3.32 109.127 172.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' SER . . . . . 0.582 ' HA ' ' O ' ' B' ' 76' ' ' TRP . 15.8 m -78.24 9.34 3.88 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.126 -0.488 . . . . 4.99 111.659 -172.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -91.2 -39.39 12.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.013 0.435 . . . . 3.33 110.001 176.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -100.69 -27.57 13.3 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.945 -0.57 . . . . 4.16 110.577 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' TRP . . . . . 0.582 ' O ' ' HA ' ' B' ' 73' ' ' SER . 99.7 m95 -117.94 122.71 43.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.222 0.534 . . . . 3.7 111.197 -178.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -92.93 135.13 34.42 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.193 -1.039 . . . . 3.0 108.193 170.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.462 ' HA ' ' O ' ' B' ' 111' ' ' VAL . 1.4 m -132.53 149.15 52.37 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.899 0.38 . . . . 2.16 111.419 -172.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -158.11 152.4 24.41 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.841 -0.618 . . . . 4.07 109.62 170.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . 0.601 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 38.0 m -88.32 115.21 25.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.589 -0.732 . . . . 1.67 110.857 -176.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 12.4 m -103.92 127.66 51.44 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.788 -0.642 . . . . 2.49 109.753 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.7 m -85.24 115.65 23.13 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 110.026 -0.361 . . . . 3.09 110.026 177.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 19.7 p -81.89 134.1 35.37 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 120.971 0.415 . . . . 3.17 111.088 -175.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -104.11 136.96 42.76 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.031 -0.531 . . . . 4.39 110.27 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' THR . . . . . 0.609 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 11.4 t -132.69 162.97 30.01 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.37 -0.604 . . . . 1.61 109.37 177.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -107.11 116.98 32.88 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.893 0.377 . . . . 2.52 110.191 -176.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' B' ' 101' ' ' PHE . 21.4 m -109.56 139.04 34.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.452 0.644 . . . . 1.59 111.723 -175.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . 0.551 ' CD ' ' HB2' ' A' ' 51' ' ' GLN . 9.9 pttp -67.14 103.44 1.21 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.704 -1.134 . . . . 4.22 111.331 177.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.83 151.84 49.97 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.404 -0.816 . . . . 1.57 110.759 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 23.1 tp -81.72 109.98 16.63 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.87 -0.789 . . . . 1.87 108.87 173.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 47.5 p -128.66 155.35 45.15 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.195 -0.457 . . . . 1.44 110.537 -175.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' THR . . . . . 0.415 HG23 ' HB ' ' B' ' 37' ' ' THR . 9.8 t -117.61 123.38 46.02 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.227 0.537 . . . . 1.63 110.087 178.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -74.4 -19.51 60.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.015 -0.538 . . . . 2.46 110.184 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -165.75 -73.31 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.607 -0.724 . . . . 3.09 109.702 177.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -136.0 25.4 3.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.771 0.32 . . . . 3.76 110.972 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -134.77 106.46 6.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.306 -0.406 . . . . 3.02 110.752 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.46 119.77 19.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.076 -0.511 . . . . 1.8 110.214 177.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -141.04 150.91 43.58 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.211 -0.45 . . . . 1.79 110.62 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -77.27 111.3 12.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.987 -0.551 . . . . 2.87 110.464 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' ARG . . . . . 0.46 ' HB3' ' OD1' ' B' ' 30' ' ' ASP . 42.5 mmt-85 -125.25 178.17 5.73 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.757 -0.656 . . . . 3.93 110.167 -178.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.422 ' O ' ' HA ' ' B' ' 30' ' ' ASP . 78.0 m-85 -117.52 108.94 16.11 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.181 -0.674 . . . . 2.75 109.181 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 32.9 pt -111.66 144.28 19.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.138 0.494 . . . . 1.33 111.339 -171.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.609 ' HA ' ' O ' ' B' ' 85' ' ' THR . 16.1 ptt180 -74.91 119.83 19.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.422 -0.808 . . . . 4.28 111.673 -176.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 41.3 pt -122.9 160.32 25.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.261 -0.882 . . . . 1.36 109.13 171.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . 0.515 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 61.1 m-20 -81.14 113.3 19.21 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.159 -0.682 . . . . 1.69 109.159 176.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 6.4 t -95.44 -31.39 13.4 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.861 -0.336 . . . . 2.65 111.777 -172.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -157.01 166.2 34.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.165 0.507 . . . . 1.64 111.644 -176.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . 0.601 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 44.2 t -124.98 106.28 9.84 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.728 -0.841 . . . . 1.6 108.728 176.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 18.9 m -105.47 142.37 18.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.04 0.448 . . . . 1.53 111.192 -172.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . 0.413 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 40.6 t -89.94 113.93 25.66 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.879 -0.786 . . . . 1.45 108.879 173.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' B' ' 78' ' ' SER . 32.8 m -94.51 144.8 9.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 C-N-CA 120.711 -0.396 . . . . 2.0 110.179 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . 0.547 ' HB3' ' CE3' ' B' ' 76' ' ' TRP . 85.4 mt -113.28 138.73 49.58 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.006 -0.543 . . . . 1.86 110.396 -178.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 42.1 t -133.07 148.37 52.19 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.166 -0.679 . . . . 3.01 109.166 175.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -79.67 7.73 7.89 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 121.202 -0.199 . . . . 7.45 110.872 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt 47.01 36.27 3.99 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.173 0.989 . . . . 4.91 111.731 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -126.92 110.08 12.63 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.366 -0.834 . . . . 4.74 109.887 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 24.5 p -83.06 152.1 25.51 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.316 -0.402 . . . . 6.02 110.549 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 . . . . . 0 C--O 1.245 0.834 0 CA-C-O 118.617 -0.706 . . . . 9.38 109.603 -179.839 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.3 p . . . . . 0 N--CA 1.476 0.86 0 CA-C-O 120.948 0.404 . . . . 14.21 110.778 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 p -138.02 -72.83 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.712 0.292 . . . . 12.85 111.283 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -92.3 135.55 33.92 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.198 0.523 . . . . 11.6 112.041 -177.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 38.5 p-80 -158.63 95.56 1.83 Allowed Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.397 -0.82 . . . . 10.94 109.416 176.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -64.62 94.4 0.21 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.714 2.276 . . . . 8.15 112.132 -174.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.4 t 53.35 50.88 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-O 121.557 0.694 . . . . 7.04 109.234 -177.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.54 ' HB3' ' OE2' ' A' ' 11' ' ' GLU . 66.0 m-85 68.31 -70.66 0.12 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 114.641 -1.163 . . . . 7.84 110.506 -173.154 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -154.67 56.83 0.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.691 -0.855 . . . . 8.41 108.691 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 84.0 mtp 74.04 -48.95 0.67 Allowed 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.135 0.974 . . . . 5.62 111.39 -177.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -177.32 80.32 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.772 -0.728 . . . . 4.39 112.11 177.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.54 ' OE2' ' HB3' ' A' ' 7' ' ' PHE . 47.8 mt-10 -82.04 56.41 3.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.98 0.419 . . . . 4.63 110.537 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.492 ' HB2' ' O ' ' B' ' 112' ' ' LEU . 89.5 m-85 -87.48 93.76 9.51 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.636 -0.505 . . . . 4.02 109.636 176.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.6 t -58.22 128.87 39.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.733 -0.667 . . . . 2.58 110.507 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.3 m -58.96 -32.74 48.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 CA-C-N 115.52 -0.764 . . . . 1.8 111.132 178.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.1 t -112.07 139.17 47.81 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.184 -0.462 . . . . 1.75 110.704 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -88.22 117.4 27.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.178 0.513 . . . . 2.87 109.677 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.8 p -130.81 164.05 26.03 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.019 -0.537 . . . . 1.91 110.859 -176.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 56' ' ' THR . 2.5 p -108.79 114.63 47.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.958 -0.565 . . . . 1.88 109.595 176.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.6 t -112.33 105.51 13.81 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.923 -0.581 . . . . 1.95 109.915 -176.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.4 t -128.15 141.8 45.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.965 -0.561 . . . . 1.55 110.85 -175.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.447 ' HA ' ' O ' ' A' ' 53' ' ' PHE . 83.7 m95 -85.64 95.55 9.39 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.589 -0.893 . . . . 1.86 108.589 171.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 81.7 t -90.76 118.04 35.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.272 -0.877 . . . . 1.41 111.222 -172.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.02 15.39 40.07 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.859 -0.686 . . . . 1.36 111.433 177.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -122.36 20.25 10.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.728 0.299 . . . . 3.02 110.931 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.46 ' HZ1' HG22 ' A' ' 104' ' ' ILE . 84.1 tttt -78.25 101.68 7.25 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.254 -0.647 . . . . 1.64 109.254 177.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -93.13 -12.39 30.53 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.16 -0.473 . . . . 2.12 112.199 -171.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.6 p -134.84 132.64 38.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.098 0.475 . . . . 1.54 111.285 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.51 155.97 42.39 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.115 -0.493 . . . . 1.29 110.541 177.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.5 m -98.02 123.79 42.2 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.293 -0.412 . . . . 1.53 111.428 -177.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.441 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 13.0 t70 -65.76 158.63 27.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.637 -0.71 . . . . 1.85 109.234 174.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.409 ' HA ' ' CE2' ' A' ' 86' ' ' PHE . 16.5 tt -59.05 -18.86 14.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.985 -0.552 . . . . 1.74 111.932 -176.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -87.17 -11.19 50.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.81 0.338 . . . . 2.65 111.142 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.54 18.7 15.52 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.682 -0.77 . . . . 1.25 112.827 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -99.41 122.18 42.17 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.79 -0.241 . . . . 2.58 110.64 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -83.79 115.22 22.12 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.08 0.467 . . . . 2.19 109.821 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.5 m -118.09 161.42 17.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.799 -0.637 . . . . 1.48 111.166 -174.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.405 ' HB ' HG22 ' A' ' 92' ' ' THR . 17.8 m -87.22 116.95 25.65 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.274 -0.875 . . . . 1.5 110.074 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.455 ' HA ' HG22 ' A' ' 91' ' ' THR . 43.3 t -85.68 136.53 22.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.992 -0.549 . . . . 1.55 110.953 -175.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.4 mt -92.21 127.48 37.7 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.906 -0.775 . . . . 1.91 108.906 174.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.46 -9.32 58.47 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.138 0.422 . . . . 2.35 112.138 -171.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -140.0 113.1 8.25 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.567 0.698 . . . . 3.59 112.261 -177.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 p -155.34 96.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.127 -0.942 . . . . 2.85 109.42 169.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.469 ' H ' HG12 ' A' ' 48' ' ' VAL . 65.4 m-80 -144.03 116.43 8.55 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.791 -0.641 . . . . 3.25 110.931 -178.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 74.1 mt 70.42 132.78 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-O 121.551 0.691 . . . . 2.98 112.166 172.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.33 62.74 7.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.355 0.597 . . . . 3.91 109.872 176.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -167.33 -54.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.437 -0.801 . . . . 5.31 109.817 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.9 t -136.91 113.82 10.47 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.105 -0.702 . . . . 3.53 109.105 174.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.469 HG12 ' H ' ' A' ' 43' ' ' ASN . 82.0 t -99.66 116.73 43.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.159 -0.473 . . . . 2.78 111.632 -172.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -111.52 174.85 5.67 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.845 -0.616 . . . . 4.85 109.94 173.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -84.74 160.65 20.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.036 0.446 . . . . 5.38 111.196 -176.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -128.21 165.3 20.72 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.862 -0.608 . . . . 5.18 110.545 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -124.79 151.22 45.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.107 -0.497 . . . . 2.96 109.996 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.447 ' O ' ' HA ' ' A' ' 21' ' ' TRP . 85.0 m-85 -107.15 143.6 35.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.217 -0.447 . . . . 1.28 110.033 176.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -84.14 94.72 8.42 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.711 -0.478 . . . . 4.41 109.711 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.464 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 2.9 mm-40 -106.45 106.45 16.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.009 -0.541 . . . . 1.49 110.688 -176.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 29.4 m -111.73 99.08 7.86 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.796 -0.638 . . . . 1.56 109.717 177.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -105.02 139.43 39.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.099 -0.5 . . . . 2.93 111.113 -173.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 66.0 m -74.75 110.83 9.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.611 -0.722 . . . . 1.77 110.624 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -102.52 6.07 39.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.988 -0.551 . . . . 3.84 110.751 -177.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -145.85 144.31 30.16 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.555 -0.748 . . . . 2.96 109.313 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.9 m -158.49 39.08 0.24 Allowed 'General case' 0 C--O 1.234 0.283 0 N-CA-C 111.858 0.318 . . . . 3.02 111.858 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.518 ' OD1' ' HB2' ' A' ' 66' ' ' SER . 3.1 p-10 -112.08 124.24 32.64 Favored Pre-proline 0 C--N 1.326 -0.453 0 C-N-CA 120.573 -0.451 . . . . 2.59 110.146 176.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.429 ' HA ' ' OG ' ' A' ' 78' ' ' SER . 37.2 Cg_exo -21.99 -64.16 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.713 1 C-N-CA 126.173 4.582 . . . . 2.81 116.706 -164.462 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.514 HG21 ' H ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER -95.91 -92.75 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 113.603 0.964 . . . . 2.53 113.603 -168.879 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.514 ' H ' HG21 ' A' ' 64' ' ' VAL . 10.5 pt-20 -49.74 -38.45 33.63 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 113.429 0.9 . . . . 4.19 113.429 -169.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.518 ' HB2' ' OD1' ' A' ' 62' ' ' ASN . 14.8 m -128.58 48.46 2.31 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.515 0.674 . . . . 4.07 109.847 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -138.25 -84.77 0.13 Allowed Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.195 -0.911 . . . . 2.7 111.029 177.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 78' ' ' SER . 84.9 m -134.74 -25.4 1.44 Allowed 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.893 -0.323 . . . . 1.76 111.202 176.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.406 ' C ' ' H ' ' A' ' 71' ' ' ILE . 98.2 mtt180 67.81 151.19 0.07 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.014 0.526 . . . . 4.4 111.323 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 77.24 -38.78 1.61 Allowed Glycine 0 CA--C 1.52 0.395 0 C-N-CA 121.018 -0.611 . . . . 1.61 112.834 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.406 ' H ' ' C ' ' A' ' 69' ' ' ARG . 48.4 mm -55.62 134.53 19.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 123.036 0.534 . . . . 2.04 111.324 179.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -76.19 114.86 15.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.985 -0.552 . . . . 3.32 110.155 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.3 p -79.67 -6.77 57.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.948 0.404 . . . . 4.99 111.66 -175.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -79.48 -47.62 15.32 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.58 -0.282 . . . . 3.32 110.374 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -96.73 -28.27 14.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.175 -0.466 . . . . 4.16 111.228 -178.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -121.54 157.43 30.72 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.437 0.637 . . . . 3.71 111.215 -176.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -124.9 133.16 53.17 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.319 -0.993 . . . . 3.0 108.319 169.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.459 ' HB2' ' SG ' ' A' ' 68' ' ' CYS . 2.1 p -104.17 133.86 48.39 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.103 0.478 . . . . 2.16 110.861 -177.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.437 ' O ' HG23 ' A' ' 111' ' ' VAL . 72.0 t80 -140.58 140.38 35.13 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.777 -0.647 . . . . 4.07 110.021 -178.14 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.494 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 66.8 m -95.14 119.06 32.99 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.266 -0.425 . . . . 1.67 110.207 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.1 m -110.37 131.89 54.66 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.36 -0.382 . . . . 2.49 110.611 -178.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.5 103.25 13.48 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 121.09 0.471 . . . . 3.09 111.22 177.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.0 m -76.35 130.52 38.2 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 109.229 -0.656 . . . . 3.17 109.229 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.5 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 64.5 m-70 -105.03 134.09 48.71 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.468 -0.333 . . . . 4.4 110.399 -176.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.638 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 3.0 t -108.8 162.79 13.85 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.899 -0.778 . . . . 1.61 108.899 175.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.484 ' CE2' ' HB3' ' A' ' 103' ' ' ARG . 97.3 m-85 -109.27 116.07 31.2 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.051 0.453 . . . . 2.52 110.598 -176.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.2 m -110.8 138.42 39.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.636 -0.711 . . . . 1.59 109.976 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 13.8 pttp -88.8 107.73 19.13 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.553 0.692 . . . . 4.22 110.575 -179.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.61 153.93 46.75 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.326 -0.852 . . . . 1.57 110.333 -177.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.4 tp -75.14 104.92 5.9 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.45 -0.574 . . . . 1.87 109.45 177.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.455 HG22 ' HA ' ' A' ' 38' ' ' VAL . 52.3 p -123.05 157.79 32.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.288 -0.415 . . . . 1.44 110.056 -178.14 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.405 HG22 ' HB ' ' A' ' 37' ' ' THR . 8.8 t -112.63 125.84 54.72 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.334 0.588 . . . . 1.63 110.375 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -68.06 -33.84 75.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.455 -0.793 . . . . 2.47 109.895 178.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -169.52 -40.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.676 -0.693 . . . . 3.09 110.355 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -131.85 -67.37 0.68 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.481 . . . . 3.75 110.644 -178.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -73.45 139.49 45.84 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.981 -0.554 . . . . 3.02 111.039 -177.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -95.98 131.06 42.75 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.727 -0.669 . . . . 1.8 110.087 178.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.94 150.66 40.04 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.401 -0.363 . . . . 1.79 110.432 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -69.7 109.7 4.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.106 -0.497 . . . . 2.88 110.292 177.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.485 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 34.2 mmt180 -113.82 153.06 29.77 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.092 -0.504 . . . . 3.92 109.871 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.441 ' O ' ' HA ' ' A' ' 30' ' ' ASP . 86.3 m-85 -92.37 103.58 16.01 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.927 -0.768 . . . . 2.74 108.927 174.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 30.6 pt -112.17 143.33 22.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.168 0.508 . . . . 1.33 110.756 -172.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.638 ' HA ' ' O ' ' A' ' 85' ' ' THR . 38.1 ptt180 -85.51 133.55 34.08 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.681 -0.69 . . . . 4.27 111.382 -175.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.5 ' O ' ' HA ' ' A' ' 84' ' ' HIS . 40.8 pt -122.61 152.84 27.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 CA-C-N 115.482 -0.781 . . . . 1.36 109.991 175.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.464 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 4.7 m-20 -72.51 100.75 2.8 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 108.628 -0.879 . . . . 1.69 108.628 178.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.23 -46.77 5.71 Favored 'General case' 0 C--N 1.315 -0.933 0 C-N-CA 120.605 -0.438 . . . . 2.66 112.069 -168.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -132.81 141.72 48.62 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.895 0.379 . . . . 1.64 111.239 -174.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.494 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 45.9 t -107.37 98.76 8.35 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.467 -0.938 . . . . 1.59 108.467 174.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 32.4 m -99.12 143.67 13.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.117 -0.492 . . . . 1.52 111.559 -171.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 35.1 t -86.7 113.25 22.4 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.777 -0.647 . . . . 1.45 109.423 174.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 79' ' ' TYR . 23.6 m -108.35 145.63 15.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.168 -0.469 . . . . 2.0 109.866 178.329 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.436 ' O ' ' HB2' ' B' ' 12' ' ' PHE . 67.7 mt -106.66 138.18 43.31 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.216 0.532 . . . . 1.86 110.705 178.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.3 t -114.95 138.78 50.43 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 108.721 -0.844 . . . . 3.01 108.721 173.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 -78.95 7.52 7.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.187 0.518 . . . . 7.46 109.974 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt 66.27 40.37 3.78 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.235 -0.893 . . . . 4.91 110.178 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -126.54 -56.59 1.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.416 -0.811 . . . . 4.73 110.754 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 23.2 p -78.22 150.11 33.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.313 -0.403 . . . . 6.02 111.03 -179.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.506 ' C ' ' HE ' ' A' ' 118' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.79 0 N-CA-C 109.788 -0.449 . . . . 9.37 109.788 -178.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.1 p . . . . . 0 N--CA 1.475 0.794 0 CA-C-O 120.787 0.327 . . . . 14.21 110.475 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 17.0 p -138.04 -73.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.764 0.316 . . . . 12.86 111.158 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -91.95 135.04 34.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.324 0.583 . . . . 11.6 112.092 -177.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 37.7 p-80 -158.14 95.92 1.92 Allowed Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.391 -0.822 . . . . 10.95 109.365 176.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.92 94.37 0.23 Allowed 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.672 2.248 . . . . 8.15 112.161 -174.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 12.1 t 53.36 51.13 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.278 0 N-CA-C 109.122 -0.696 . . . . 7.04 109.122 -177.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.523 ' HB3' ' OE2' ' B' ' 11' ' ' GLU . 66.8 m-85 67.89 -70.74 0.12 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.657 -1.156 . . . . 7.83 110.575 -172.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -154.52 57.05 0.69 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.688 -0.856 . . . . 8.41 108.688 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 84.4 mtp 73.79 -48.79 0.67 Allowed 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.078 -0.965 . . . . 5.62 111.274 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -177.42 80.26 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.722 -0.751 . . . . 4.39 112.201 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.523 ' OE2' ' HB3' ' B' ' 7' ' ' PHE . 47.5 mt-10 -81.89 56.36 3.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.078 0.465 . . . . 4.62 110.761 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . 0.436 ' HB2' ' O ' ' A' ' 112' ' ' LEU . 89.6 m-85 -87.45 93.84 9.53 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.606 -0.516 . . . . 4.01 109.606 176.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 48.4 t -58.29 128.97 39.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.725 -0.671 . . . . 2.58 110.346 -179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.4 m -58.9 -32.96 48.4 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.172 0 CA-C-N 115.707 -0.679 . . . . 1.81 111.193 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 50.7 t -111.9 138.99 47.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.219 -0.446 . . . . 1.75 110.639 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -87.84 117.36 26.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.081 -0.509 . . . . 2.87 109.696 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.4 p -130.82 164.19 25.73 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.055 -0.521 . . . . 1.91 110.642 -176.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' B' ' 56' ' ' THR . 2.5 p -108.86 114.65 47.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.558 -0.534 . . . . 1.88 109.558 176.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.9 t -112.27 105.93 14.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.931 -0.577 . . . . 1.95 109.871 -176.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 91.4 t -128.45 141.39 46.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.806 -0.634 . . . . 1.55 110.964 -175.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . 0.441 ' HA ' ' O ' ' B' ' 53' ' ' PHE . 84.4 m95 -85.1 95.41 9.11 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.769 -0.826 . . . . 1.86 108.769 170.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 82.5 t -90.77 117.89 34.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.237 -0.892 . . . . 1.41 111.224 -172.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.04 15.04 40.34 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.781 -0.723 . . . . 1.36 111.463 177.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -122.1 20.79 10.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.718 0.295 . . . . 3.01 110.872 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.444 ' HZ1' HG22 ' B' ' 104' ' ' ILE . 84.2 tttt -78.55 102.34 7.87 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.181 -0.674 . . . . 1.64 109.181 177.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 9.9 t -94.05 -12.43 28.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.227 -0.442 . . . . 2.11 112.123 -171.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 6.6 p -134.6 132.57 39.19 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.87 0.367 . . . . 1.53 111.344 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.49 156.11 42.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.126 -0.488 . . . . 1.29 110.539 177.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 23.4 m -98.21 123.88 42.5 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.377 -0.374 . . . . 1.52 111.376 -177.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . 0.432 ' HA ' ' O ' ' B' ' 101' ' ' PHE . 11.9 t70 -65.66 158.82 26.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.637 -0.711 . . . . 1.84 109.155 174.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.403 ' HA ' ' CE2' ' B' ' 86' ' ' PHE . 16.4 tt -59.47 -18.29 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.855 -0.612 . . . . 1.74 111.91 -176.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 39.3 mttp -87.77 -10.67 50.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.816 0.341 . . . . 2.65 111.18 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.06 18.46 17.37 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.642 -0.789 . . . . 1.25 112.728 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -99.13 122.34 42.22 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.865 -0.197 . . . . 2.58 110.642 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -83.86 115.3 22.19 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.08 0.467 . . . . 2.19 109.79 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 m -118.2 161.59 16.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.649 -0.705 . . . . 1.48 111.274 -174.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' THR . . . . . 0.406 ' HB ' HG22 ' B' ' 92' ' ' THR . 18.6 m -87.69 116.56 25.92 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.365 -0.834 . . . . 1.5 110.023 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.447 ' HA ' HG22 ' B' ' 91' ' ' THR . 42.7 t -85.43 136.32 23.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.877 -0.601 . . . . 1.55 111.086 -175.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 68.1 mt -92.03 127.39 37.48 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.895 -0.78 . . . . 1.91 108.895 175.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.25 -9.24 58.38 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.176 0.435 . . . . 2.34 112.176 -171.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -140.01 113.09 8.24 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 121.654 0.74 . . . . 3.59 112.236 -177.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 p -155.4 96.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.161 -0.927 . . . . 2.85 109.308 169.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . 0.484 ' H ' HG12 ' B' ' 48' ' ' VAL . 65.3 m-80 -144.13 116.14 8.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.876 -0.602 . . . . 3.25 110.948 -178.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 74.0 mt 70.47 132.81 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 121.589 0.709 . . . . 2.98 112.214 172.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.96 62.21 7.31 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.168 0.508 . . . . 3.91 110.0 176.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -166.72 -55.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.596 -0.729 . . . . 5.31 109.645 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 23.0 t -136.5 113.88 10.83 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.111 -0.7 . . . . 3.54 109.111 174.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.484 HG12 ' H ' ' B' ' 43' ' ' ASN . 84.5 t -99.65 116.81 43.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.201 -0.454 . . . . 2.78 111.706 -172.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -111.66 174.86 5.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.912 -0.585 . . . . 4.84 109.786 173.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -84.88 160.47 20.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.023 0.44 . . . . 5.38 111.262 -176.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -128.03 165.0 21.15 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.757 -0.656 . . . . 5.18 110.605 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -124.57 151.08 45.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.167 -0.47 . . . . 2.96 110.196 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . 0.441 ' O ' ' HA ' ' B' ' 21' ' ' TRP . 84.9 m-85 -107.04 143.76 34.68 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.122 -0.49 . . . . 1.28 110.016 176.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -84.38 94.9 8.59 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.692 -0.485 . . . . 4.41 109.692 -178.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . 0.451 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 2.9 mm-40 -106.75 106.34 16.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 1.49 110.571 -176.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.441 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 30.0 m -111.82 98.95 7.75 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.873 -0.603 . . . . 1.57 109.694 177.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -104.91 139.12 40.11 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.144 0.497 . . . . 2.93 111.226 -172.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 66.0 m -74.34 111.1 9.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.689 -0.687 . . . . 1.77 110.603 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -103.02 6.16 38.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.969 -0.559 . . . . 3.85 110.503 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -145.88 144.35 30.15 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.809 -0.632 . . . . 2.96 109.454 178.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 70.1 m -158.32 38.48 0.25 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.947 0.351 . . . . 3.01 111.947 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . 0.526 ' OD1' ' HB2' ' B' ' 66' ' ' SER . 3.1 p-10 -111.85 124.26 32.74 Favored Pre-proline 0 C--N 1.326 -0.419 0 C-N-CA 120.351 -0.54 . . . . 2.59 110.192 176.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . 0.445 ' HA ' ' OG ' ' B' ' 78' ' ' SER . 36.4 Cg_exo -21.85 -64.47 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.692 1 C-N-CA 126.137 4.558 . . . . 2.81 116.706 -164.479 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' VAL . . . . . 0.517 HG21 ' H ' ' B' ' 65' ' ' GLU . 0.4 OUTLIER -95.46 -92.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 113.641 0.978 . . . . 2.53 113.641 -169.013 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . 0.517 ' H ' HG21 ' B' ' 64' ' ' VAL . 10.6 pt-20 -49.49 -38.85 31.69 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.292 0.849 . . . . 4.2 113.292 -169.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' SER . . . . . 0.526 ' HB2' ' OD1' ' B' ' 62' ' ' ASN . 14.2 m -128.46 48.15 2.35 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.563 0.696 . . . . 4.07 109.757 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -137.94 -85.02 0.14 Allowed Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.102 -0.954 . . . . 2.7 110.963 177.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.451 ' SG ' ' HB2' ' B' ' 78' ' ' SER . 84.0 m -134.49 -25.24 1.51 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.864 -0.334 . . . . 1.76 111.312 176.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 67.77 151.16 0.07 Allowed 'General case' 0 N--CA 1.472 0.626 0 O-C-N 123.557 0.535 . . . . 4.4 111.285 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 77.12 -38.37 1.57 Allowed Glycine 0 CA--C 1.519 0.311 0 C-N-CA 121.02 -0.61 . . . . 1.61 112.876 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 48.7 mm -55.76 135.21 19.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 122.958 0.503 . . . . 2.04 111.371 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -76.75 114.26 15.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.908 -0.587 . . . . 3.32 110.072 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 29.1 p -79.01 -7.07 57.79 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.162 -0.472 . . . . 4.99 111.759 -175.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -79.46 -47.49 15.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.985 0.421 . . . . 3.33 110.24 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -96.72 -28.59 14.23 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.041 -0.527 . . . . 4.16 111.224 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -121.08 157.41 30.12 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.329 0.585 . . . . 3.7 111.29 -176.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -124.77 133.17 53.24 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.285 -1.006 . . . . 3.0 108.285 169.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.451 ' HB2' ' SG ' ' B' ' 68' ' ' CYS . 2.0 p -104.24 134.1 48.05 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.104 0.478 . . . . 2.16 110.887 -177.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . 0.429 ' O ' HG23 ' B' ' 111' ' ' VAL . 73.2 t80 -140.91 140.34 34.49 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.618 -0.719 . . . . 4.07 110.04 -178.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . 0.492 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 67.0 m -95.2 118.98 32.93 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.211 -0.45 . . . . 1.67 110.224 179.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 22.5 m -110.39 131.99 54.57 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.341 -0.391 . . . . 2.49 110.624 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.55 103.06 13.35 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.085 -0.507 . . . . 3.09 111.287 177.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 9.5 m -76.26 130.43 38.15 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 109.385 -0.598 . . . . 3.17 109.385 176.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' HIS . . . . . 0.49 ' HA ' ' O ' ' B' ' 104' ' ' ILE . 65.8 m-70 -105.04 133.91 49.02 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.398 -0.365 . . . . 4.39 110.464 -176.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' THR . . . . . 0.626 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 3.1 t -108.88 162.7 13.95 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.9 -0.778 . . . . 1.61 108.9 175.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.484 ' CE2' ' HB3' ' B' ' 103' ' ' ARG . 97.2 m-85 -109.15 115.94 30.99 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.095 0.474 . . . . 2.52 110.594 -176.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 27.3 m -110.76 138.51 38.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.662 -0.699 . . . . 1.59 109.94 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . 0.486 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 13.9 pttp -88.89 107.67 19.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.519 0.676 . . . . 4.22 110.511 -179.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.58 153.89 46.76 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.248 -0.887 . . . . 1.57 110.382 -177.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 19.1 tp -75.04 105.0 5.84 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.521 -0.548 . . . . 1.87 109.521 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' THR . . . . . 0.447 HG22 ' HA ' ' B' ' 38' ' ' VAL . 55.6 p -123.2 157.71 32.43 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.294 -0.412 . . . . 1.44 109.973 -178.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' THR . . . . . 0.406 HG22 ' HB ' ' B' ' 37' ' ' THR . 8.6 t -112.66 125.8 54.69 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.512 0.673 . . . . 1.63 110.413 -179.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -67.97 -33.87 75.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.395 -0.821 . . . . 2.46 110.004 178.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -169.78 -40.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.599 -0.728 . . . . 3.09 110.394 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -132.17 -67.93 0.64 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.213 -0.449 . . . . 3.76 110.533 -178.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -72.82 139.7 47.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.954 -0.566 . . . . 3.02 111.137 -178.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.54 130.85 43.64 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.658 -0.701 . . . . 1.8 110.176 178.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.65 150.84 40.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.395 -0.366 . . . . 1.79 110.525 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -69.83 110.01 4.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.139 -0.482 . . . . 2.87 110.198 177.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' ARG . . . . . 0.486 ' O ' ' HA ' ' B' ' 88' ' ' LYS . 34.0 mmt180 -114.06 153.3 29.68 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.961 -0.563 . . . . 3.93 109.806 179.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.432 ' O ' ' HA ' ' B' ' 30' ' ' ASP . 86.1 m-85 -92.66 103.51 15.88 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.891 -0.781 . . . . 2.75 108.891 174.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 30.0 pt -112.13 143.4 21.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.136 0.493 . . . . 1.33 110.7 -172.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.626 ' HA ' ' O ' ' B' ' 85' ' ' THR . 38.2 ptt180 -85.62 133.52 34.04 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.661 -0.699 . . . . 4.28 111.369 -175.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' ILE . . . . . 0.49 ' O ' ' HA ' ' B' ' 84' ' ' HIS . 40.9 pt -122.63 152.77 27.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.462 -0.79 . . . . 1.36 109.949 175.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . 0.451 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 4.5 m-20 -72.42 100.73 2.75 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 108.782 -0.821 . . . . 1.69 108.782 177.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.21 -46.69 5.74 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 120.681 -0.407 . . . . 2.65 111.989 -167.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -133.06 141.44 48.23 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.935 0.397 . . . . 1.64 111.333 -174.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . 0.492 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 46.0 t -107.29 98.58 8.19 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.554 -0.906 . . . . 1.6 108.554 174.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 32.5 m -98.96 143.75 12.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.976 -0.556 . . . . 1.53 111.596 -171.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 35.3 t -86.73 113.23 22.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.798 -0.637 . . . . 1.45 109.479 174.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.429 HG23 ' O ' ' B' ' 79' ' ' TYR . 23.0 m -108.28 145.58 15.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.148 -0.478 . . . . 2.0 109.97 178.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . 0.492 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 67.7 mt -106.7 138.26 43.2 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.331 0.586 . . . . 1.86 110.613 178.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 40.1 t -115.15 138.35 51.0 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.299 -0.864 . . . . 3.01 108.692 173.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' B' ' 114' ' ' ARG . 41.7 ttp180 -78.44 7.48 6.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.229 0.537 . . . . 7.45 110.143 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt 65.96 41.24 3.78 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-N 115.203 -0.908 . . . . 4.91 109.967 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -127.18 -56.34 1.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.443 -0.799 . . . . 4.74 110.871 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 23.9 p -78.36 150.41 33.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.112 -0.494 . . . . 6.02 111.019 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' ARG . . . . . 0.48 ' HE ' ' C ' ' B' ' 118' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.938 0 CA-C-O 119.06 -0.495 . . . . 9.38 109.809 -178.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 109.646 -0.501 . . . . 14.21 109.646 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 p -140.98 40.03 1.8 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.223 0.535 . . . . 12.85 110.3 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.9 p -89.82 103.48 16.13 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.623 -0.717 . . . . 11.6 110.886 -178.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -75.95 131.56 75.86 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.753 -0.658 . . . . 10.94 110.244 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.97 98.07 0.42 Allowed 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 122.352 2.035 . . . . 8.15 112.182 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.7 t -69.91 -13.47 17.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.643 -0.708 . . . . 7.04 110.117 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -55.37 -41.68 72.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.558 -0.746 . . . . 7.84 110.515 175.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 37.5 t60 -72.63 -27.09 61.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.125 0.488 . . . . 8.41 110.44 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 77.1 mtp -77.05 -27.64 54.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.819 -0.628 . . . . 5.62 110.052 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.1 1.29 80.75 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.765 -0.652 . . . . 4.39 112.412 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -90.33 -4.62 57.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.754 0.311 . . . . 4.63 110.904 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -92.53 77.39 5.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.224 0.535 . . . . 4.02 110.016 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.4 m -83.18 150.41 26.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.474 -0.785 . . . . 2.58 110.765 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.0 m -59.74 -36.99 69.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 121.132 0.491 . . . . 1.8 111.016 174.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.435 ' HA ' ' HG3' ' A' ' 63' ' ' PRO . 45.1 t -122.76 151.99 41.06 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.615 -0.513 . . . . 1.75 109.615 176.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -88.41 114.2 24.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.199 0.523 . . . . 2.87 110.431 -175.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.4 m -105.6 154.25 20.67 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.708 -0.678 . . . . 1.91 110.56 -177.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.455 ' O ' ' HA ' ' A' ' 56' ' ' THR . 4.2 p -120.62 114.32 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.022 0.439 . . . . 1.88 110.602 174.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.1 m -97.41 116.83 30.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.264 -0.426 . . . . 1.95 110.454 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.7 t -119.36 138.09 51.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.185 -0.462 . . . . 1.55 110.696 -178.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -102.76 96.32 6.78 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.137 -0.69 . . . . 1.86 109.137 173.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.5 t -77.46 123.07 33.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.386 -0.824 . . . . 1.41 110.618 -175.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.86 -11.54 54.77 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.568 -0.825 . . . . 1.36 111.73 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -138.82 79.46 1.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.159 0.504 . . . . 3.02 110.461 -178.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -97.95 136.7 37.86 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.89 -0.781 . . . . 1.64 108.89 175.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.9 t -111.48 -27.08 8.75 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.662 0.616 . . . . 2.12 112.662 -173.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.2 p -137.24 142.6 42.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.04 0.448 . . . . 1.54 111.895 -178.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -150.84 171.34 17.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.748 -0.66 . . . . 1.29 110.109 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.3 m -117.87 121.2 40.11 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.602 0.239 . . . . 1.53 110.392 177.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.458 ' OD2' ' HB3' ' A' ' 100' ' ' ARG . 17.5 t70 -74.19 163.67 27.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.944 -0.571 . . . . 1.85 110.029 178.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.9 tt -63.93 -21.31 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.34 -0.391 . . . . 1.74 111.261 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.404 ' HG3' ' OD1' ' A' ' 30' ' ' ASP . 64.5 mttm -75.39 -13.13 60.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.028 0.442 . . . . 2.65 110.61 176.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.9 18.37 34.77 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 111.486 -0.646 . . . . 1.25 111.486 -178.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -92.12 134.86 34.46 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.678 0.275 . . . . 2.58 110.93 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -84.2 114.32 21.72 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.528 -0.915 . . . . 2.19 108.528 172.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.4 m -115.58 149.79 17.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-O 121.196 0.522 . . . . 1.48 111.342 -172.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.45 ' HB ' ' CG2' ' A' ' 92' ' ' THR . 30.4 m -85.83 115.81 23.7 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.209 -0.905 . . . . 1.5 109.239 175.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.486 ' HA ' HG22 ' A' ' 91' ' ' THR . 46.6 t -81.79 139.8 17.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.105 -0.498 . . . . 1.55 110.203 -178.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 66.8 mt -96.88 121.78 39.12 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.537 -0.542 . . . . 1.91 109.537 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.26 -39.3 92.45 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.317 0.58 . . . . 2.35 109.457 177.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -106.45 114.84 29.2 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.154 -0.93 . . . . 3.59 108.793 175.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.474 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 31.0 m -90.59 121.78 41.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.366 0.603 . . . . 2.85 110.203 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -92.72 102.6 15.01 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.639 -0.71 . . . . 3.25 110.369 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.7 mt -100.2 62.35 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 108.921 -0.77 . . . . 2.98 108.921 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.441 ' N ' HD21 ' A' ' 45' ' ' ASN . 0.9 OUTLIER 67.27 -79.43 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.035 -0.984 . . . . 3.91 111.369 -179.263 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -103.67 -10.46 18.36 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.891 0.33 . . . . 5.31 111.891 -175.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.7 t -122.8 115.68 22.43 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.885 0.374 . . . . 3.53 110.477 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.474 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 23.0 t -115.51 122.04 68.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.008 -0.542 . . . . 2.78 109.606 177.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.469 ' O ' HG23 ' A' ' 42' ' ' VAL . 43.9 p90 -163.13 171.35 16.48 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.686 0.279 . . . . 4.85 110.306 -177.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -105.88 117.31 33.7 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.218 0.532 . . . . 5.38 110.104 175.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -84.06 -8.58 59.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.677 -0.692 . . . . 5.18 111.196 -176.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 69.34 150.9 0.09 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.499 -0.773 . . . . 2.96 111.401 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -123.96 119.7 30.34 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.892 -0.595 . . . . 1.28 110.04 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.435 ' O ' HD12 ' A' ' 104' ' ' ILE . 29.0 p90 -84.28 116.88 23.21 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.321 0.581 . . . . 4.41 110.8 -177.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -123.48 111.76 16.7 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.903 -0.589 . . . . 1.49 109.807 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.465 ' HB ' ' O ' ' A' ' 106' ' ' THR . 44.4 m -99.49 102.25 13.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.179 0.514 . . . . 1.56 109.65 175.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -104.48 172.38 6.83 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.491 -0.777 . . . . 2.93 111.299 -171.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 72.7 m -96.68 107.43 19.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.336 -0.847 . . . . 1.77 109.961 175.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -93.7 8.59 40.37 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.557 0.694 . . . . 3.84 109.639 174.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -154.45 117.46 4.45 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.859 -1.064 . . . . 2.96 108.977 175.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.3 p -74.31 -26.62 60.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.066 0.46 . . . . 3.02 110.07 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -148.62 109.13 3.57 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.29 -0.868 . . . . 2.59 109.217 174.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.435 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 25.2 Cg_endo -60.91 -37.23 78.88 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.486 2.124 . . . . 2.81 111.732 -178.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.5 m -134.86 157.79 41.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.636 -0.711 . . . . 2.53 109.173 177.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -75.95 -8.75 57.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.746 0.308 . . . . 4.19 111.407 -175.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.9 m -89.02 -6.01 57.5 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.376 -0.374 . . . . 4.07 110.865 176.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.09 -121.89 3.51 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.737 -0.744 . . . . 2.7 112.294 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 71.9 m -118.05 56.38 0.86 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.665 -0.315 . . . . 1.76 111.185 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 63.21 89.89 0.08 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.86 -0.609 . . . . 4.4 111.849 173.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.89 -27.69 11.63 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.603 -0.808 . . . . 1.61 112.428 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.1 mm -58.68 137.85 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.682 0.277 . . . . 2.04 110.917 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -83.81 116.96 22.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.995 -0.548 . . . . 3.32 110.289 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.1 m -73.05 -6.04 42.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.005 -0.543 . . . . 4.99 112.329 -173.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -93.15 -26.6 17.35 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.007 0.432 . . . . 3.32 110.647 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -104.91 -34.52 8.01 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.175 -0.466 . . . . 4.16 111.379 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.531 ' CE3' ' HB3' ' A' ' 112' ' ' LEU . 99.1 m95 -130.1 138.45 50.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.188 0.518 . . . . 3.71 111.609 -175.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.418 ' HB3' ' OG ' ' A' ' 113' ' ' SER . 27.5 t-20 -106.93 134.14 50.53 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 107.943 -1.132 . . . . 3.0 107.943 167.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.585 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 9.9 m -114.55 151.3 33.6 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.909 0.385 . . . . 2.16 111.385 -172.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.427 ' O ' HG22 ' A' ' 111' ' ' VAL . 79.5 t80 -153.06 134.63 14.44 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.843 -0.617 . . . . 4.07 110.016 175.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.681 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 76.4 m -87.94 126.39 35.03 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.108 0.48 . . . . 1.67 110.988 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 109' ' ' VAL . 43.1 m -126.13 132.58 51.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.723 -0.672 . . . . 2.49 109.873 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.4 t -79.83 132.84 36.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.2 0.524 . . . . 3.09 110.157 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.2 p -86.62 155.87 20.26 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.953 -0.567 . . . . 3.17 110.428 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.417 ' HB2' ' HB2' ' A' ' 103' ' ' ARG . 19.0 p80 -124.07 120.13 31.49 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.8 0.333 . . . . 4.4 110.854 -178.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.686 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 10.8 t -112.03 160.24 17.68 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.375 -0.602 . . . . 1.61 109.375 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.439 ' HA ' ' O ' ' A' ' 102' ' ' ILE . 88.4 m-85 -109.25 116.23 31.5 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.002 0.43 . . . . 2.52 110.482 -177.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.9 m -115.22 155.16 16.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.83 -0.623 . . . . 1.59 110.824 -178.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 46.1 mtpt -83.0 107.94 15.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.178 -0.464 . . . . 4.22 110.334 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.71 140.25 52.19 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.789 -0.642 . . . . 1.57 110.259 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.7 tp -74.1 104.44 4.92 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.058 -0.719 . . . . 1.87 109.058 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.486 HG22 ' HA ' ' A' ' 38' ' ' VAL . 66.5 p -129.32 166.48 19.4 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.927 -0.578 . . . . 1.44 109.732 -176.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.45 ' CG2' ' HB ' ' A' ' 37' ' ' THR . 8.8 t -118.3 116.11 26.09 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.311 0.577 . . . . 1.63 110.252 177.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -94.42 -24.92 17.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.91 -0.586 . . . . 2.47 111.038 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -124.74 -90.6 0.56 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.741 -0.209 . . . . 3.09 110.651 176.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -134.63 3.53 3.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.699 0.285 . . . . 3.75 111.618 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -124.97 159.52 31.06 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.064 -0.347 . . . . 3.02 110.064 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.48 128.49 44.29 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.271 -0.422 . . . . 1.8 110.026 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.13 152.56 41.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.316 -0.402 . . . . 1.79 110.46 -178.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -75.49 100.06 4.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.157 -0.474 . . . . 2.88 110.274 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.462 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 33.1 mmt180 -99.89 165.86 11.35 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.694 -0.685 . . . . 3.92 110.102 -178.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -104.64 101.78 11.4 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.572 -0.899 . . . . 2.74 108.572 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.439 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 44.7 pt -112.12 144.81 19.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.048 0.451 . . . . 1.33 111.348 -170.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.686 ' HA ' ' O ' ' A' ' 85' ' ' THR . 13.9 ptm180 -79.61 123.79 27.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.149 -0.932 . . . . 4.27 111.203 -179.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.435 HD12 ' O ' ' A' ' 54' ' ' PHE . 35.5 pt -125.29 158.05 33.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.481 -0.781 . . . . 1.36 110.015 173.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -65.79 118.29 9.43 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.729 -0.668 . . . . 1.69 110.031 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.465 ' O ' ' HB ' ' A' ' 56' ' ' THR . 1.7 m -93.07 -57.03 2.76 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.776 -0.647 . . . . 2.66 111.217 -172.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -159.35 155.81 27.45 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.824 -0.625 . . . . 1.64 110.054 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.681 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 35.5 t -96.17 108.95 21.47 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.479 -0.563 . . . . 1.59 109.479 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 81' ' ' THR . 21.9 m -99.45 150.32 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.963 -0.562 . . . . 1.52 110.663 -174.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.585 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 54.0 t -101.06 115.25 30.05 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.584 -0.524 . . . . 1.45 109.584 177.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 79' ' ' TYR . 15.3 m -89.59 149.12 4.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.705 -0.48 . . . . 2.0 109.705 177.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.531 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . 93.9 mt -118.91 139.54 51.47 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.004 0.431 . . . . 1.86 110.545 -178.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.418 ' OG ' ' HB3' ' A' ' 77' ' ' ASN . 28.8 p -131.46 150.0 52.32 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.187 -0.46 . . . . 3.01 110.023 175.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -75.41 8.58 2.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.379 -0.373 . . . . 7.46 111.891 -178.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt 74.8 -51.03 0.67 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.692 0.797 . . . . 4.91 110.381 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -83.99 170.28 14.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.879 -0.6 . . . . 4.73 109.435 172.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 62.5 p 58.54 168.08 0.05 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.857 0.863 . . . . 6.02 112.357 -178.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.145 -0.931 . . . . 9.37 109.952 -179.358 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 109.816 -0.439 . . . . 14.21 109.816 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 11.4 p -140.66 39.06 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.273 0.559 . . . . 12.86 110.45 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 6.7 p -89.08 103.56 16.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.713 -0.676 . . . . 11.6 110.926 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -76.2 131.79 74.68 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.817 -0.629 . . . . 10.95 110.063 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.03 98.17 0.43 Allowed 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.36 2.04 . . . . 8.15 112.007 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.7 t -70.12 -13.27 16.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.728 -0.669 . . . . 7.04 110.128 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -55.66 -41.66 73.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.617 -0.719 . . . . 7.83 110.599 175.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 36.9 t60 -72.35 -27.37 62.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 8.41 110.335 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 76.6 mtp -76.87 -27.59 55.09 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.992 -0.549 . . . . 5.62 110.122 -178.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.9 0.97 81.15 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.799 -0.637 . . . . 4.39 112.397 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -90.15 -4.25 57.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.827 0.346 . . . . 4.62 110.827 178.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -92.63 77.09 4.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.192 0.52 . . . . 4.01 110.062 178.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 4.4 m -82.81 150.45 26.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.531 -0.758 . . . . 2.58 110.815 -177.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.8 m -59.72 -37.17 69.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 121.13 0.491 . . . . 1.81 110.918 174.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.437 ' HA ' ' HG3' ' B' ' 63' ' ' PRO . 45.7 t -122.58 152.1 40.76 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.529 -0.545 . . . . 1.75 109.529 176.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -88.44 114.21 24.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.143 0.497 . . . . 2.87 110.339 -175.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.401 ' OG ' ' HB3' ' B' ' 108' ' ' CYS . 26.0 m -105.35 154.78 19.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.72 -0.673 . . . . 1.91 110.58 -177.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' B' ' 56' ' ' THR . 4.3 p -121.22 114.3 42.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.069 0.461 . . . . 1.88 110.587 174.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 48.3 m -97.09 116.67 29.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.219 -0.446 . . . . 1.95 110.371 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 60.9 t -119.34 137.94 51.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.346 -0.388 . . . . 1.55 110.687 -178.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 86.2 m95 -102.52 96.45 6.92 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.144 -0.688 . . . . 1.86 109.144 173.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 43.4 t -77.56 123.25 33.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.405 -0.816 . . . . 1.41 110.467 -175.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.02 -11.56 54.42 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.539 -0.839 . . . . 1.36 111.697 178.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -138.59 80.0 1.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.111 0.482 . . . . 3.01 110.352 -178.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -98.34 136.56 38.33 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.852 -0.796 . . . . 1.64 108.852 174.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 14.2 t -111.49 -26.86 8.85 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.671 0.619 . . . . 2.11 112.671 -173.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 6.8 p -137.25 142.67 42.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 121.92 -0.488 . . . . 1.53 111.892 -178.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -150.75 171.28 17.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.903 -0.59 . . . . 1.29 110.269 175.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 16.9 m -117.74 121.36 40.62 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.685 0.279 . . . . 1.52 110.445 177.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . 0.478 ' OD2' ' HB3' ' B' ' 100' ' ' ARG . 17.4 t70 -74.2 163.65 27.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.864 -0.607 . . . . 1.84 109.885 178.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.0 tt -63.87 -21.43 28.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.063 0.459 . . . . 1.74 111.233 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.406 ' HG3' ' OD1' ' B' ' 30' ' ' ASP . 64.4 mttm -75.21 -13.4 60.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.427 -0.351 . . . . 2.65 110.502 176.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.19 17.87 35.69 Favored Glycine 0 N--CA 1.45 -0.417 0 N-CA-C 111.546 -0.621 . . . . 1.25 111.546 -178.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -91.68 135.09 34.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.677 0.275 . . . . 2.58 110.982 -178.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -84.52 114.28 21.83 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.517 -0.92 . . . . 2.19 108.517 172.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 m -115.51 149.91 17.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-O 121.174 0.511 . . . . 1.48 111.362 -172.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' THR . . . . . 0.441 ' HB ' ' CG2' ' B' ' 92' ' ' THR . 27.9 m -85.96 115.89 23.85 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 115.222 -0.899 . . . . 1.5 109.297 175.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.493 ' HA ' HG22 ' B' ' 91' ' ' THR . 47.2 t -81.99 140.14 16.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.06 -0.518 . . . . 1.55 109.992 -177.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 66.9 mt -97.27 121.88 39.67 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.573 -0.528 . . . . 1.91 109.573 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.19 92.26 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.928 -0.578 . . . . 2.34 109.544 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -106.37 114.66 28.92 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.224 -0.898 . . . . 3.59 108.93 175.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.47 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 32.0 m -90.58 121.92 41.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.368 0.604 . . . . 2.85 110.149 -178.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -92.56 102.41 14.85 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.517 0.675 . . . . 3.25 110.408 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 14.5 mt -100.3 62.24 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 108.976 -0.75 . . . . 2.98 108.976 177.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . 0.433 ' N ' HD21 ' B' ' 45' ' ' ASN . 0.9 OUTLIER 67.27 -79.25 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 114.944 -1.025 . . . . 3.91 111.311 -179.43 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -103.48 -10.78 18.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.416 -0.356 . . . . 5.31 111.822 -175.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 20.5 t -122.81 115.48 22.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.963 0.411 . . . . 3.54 110.425 -176.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 22.8 t -114.94 122.79 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.932 -0.576 . . . . 2.78 109.466 177.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . 0.467 ' O ' HG23 ' B' ' 42' ' ' VAL . 43.7 p90 -163.78 171.21 15.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.722 0.296 . . . . 4.84 110.506 -178.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -105.64 116.9 32.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.087 0.47 . . . . 5.38 110.246 175.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -83.83 -8.53 59.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.826 -0.624 . . . . 5.18 111.19 -176.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 69.2 150.84 0.08 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.443 -0.798 . . . . 2.96 111.368 -178.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -124.0 119.57 29.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.875 -0.602 . . . . 1.28 110.017 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . 0.446 ' O ' HD12 ' B' ' 104' ' ' ILE . 29.2 p90 -84.17 116.85 23.14 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.226 0.536 . . . . 4.41 110.772 -177.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -123.31 111.71 16.74 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.868 -0.605 . . . . 1.49 109.862 177.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.465 ' HB ' ' O ' ' B' ' 106' ' ' THR . 45.7 m -99.49 102.12 13.57 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.485 -0.561 . . . . 1.57 109.485 175.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -104.46 172.13 6.96 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.613 -0.721 . . . . 2.93 111.242 -171.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 70.3 m -96.32 107.34 19.69 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.394 -0.821 . . . . 1.77 110.007 175.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -93.57 8.45 40.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.529 0.681 . . . . 3.85 109.684 174.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -154.41 117.21 4.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.847 -1.069 . . . . 2.96 109.154 175.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 17.5 p -74.26 -26.29 60.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.164 0.507 . . . . 3.01 110.208 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -148.58 109.52 3.59 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.233 -0.894 . . . . 2.59 109.046 174.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . 0.437 ' HG3' ' HA ' ' B' ' 15' ' ' CYS . 25.4 Cg_endo -61.4 -36.66 77.05 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.523 2.149 . . . . 2.81 111.789 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 31.5 m -135.24 158.2 40.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.662 -0.699 . . . . 2.53 109.226 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -76.32 -8.87 58.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.675 0.274 . . . . 4.2 111.295 -175.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 9.2 m -89.12 -6.09 57.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.274 -0.421 . . . . 4.07 110.855 176.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.35 -121.78 3.43 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.731 . . . . 2.7 112.323 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 71.9 m -118.26 55.9 0.88 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.596 0.236 . . . . 1.76 111.236 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 63.75 89.64 0.09 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.76 -0.654 . . . . 4.4 111.849 173.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.85 -27.07 12.56 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.618 -0.801 . . . . 1.61 112.405 177.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 49.0 mm -59.31 137.63 21.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.728 0.299 . . . . 2.04 111.053 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -83.52 117.0 22.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.142 -0.481 . . . . 3.32 110.351 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 4.8 m -73.07 -6.21 44.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.912 -0.585 . . . . 4.99 112.239 -173.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -93.38 -26.27 17.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.097 0.475 . . . . 3.33 110.789 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -105.23 -34.14 8.0 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.113 -0.494 . . . . 4.16 111.417 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' TRP . . . . . 0.543 ' CE3' ' HB3' ' B' ' 112' ' ' LEU . 99.1 m95 -130.28 138.37 50.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.32 0.581 . . . . 3.7 111.57 -175.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' ASN . . . . . 0.425 ' HB3' ' OG ' ' B' ' 113' ' ' SER . 27.5 t-20 -107.04 134.22 50.51 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.918 -1.141 . . . . 3.0 107.918 168.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.584 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 9.0 m -114.79 151.28 34.07 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.914 0.388 . . . . 2.16 111.515 -172.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . 0.421 ' O ' HG22 ' B' ' 111' ' ' VAL . 79.6 t80 -153.17 134.6 14.32 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.788 -0.642 . . . . 4.07 109.971 176.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . 0.681 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 76.3 m -88.02 126.25 34.98 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.22 0.533 . . . . 1.67 111.028 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.414 ' O ' HG23 ' B' ' 109' ' ' VAL . 36.5 m -125.93 132.44 52.1 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.707 -0.679 . . . . 2.49 109.95 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.2 t -80.02 132.56 36.02 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.005 0.431 . . . . 3.09 110.273 178.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 6.4 p -86.52 155.44 20.5 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.037 -0.528 . . . . 3.17 110.517 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' HIS . . . . . 0.435 ' HB2' ' HB2' ' B' ' 103' ' ' ARG . 19.1 p80 -123.35 120.63 33.61 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.8 0.333 . . . . 4.39 110.916 -178.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' THR . . . . . 0.689 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 10.3 t -112.37 160.13 18.01 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.381 -0.6 . . . . 1.61 109.381 178.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.445 ' HA ' ' O ' ' B' ' 102' ' ' ILE . 87.2 m-85 -109.06 116.25 31.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.926 0.393 . . . . 2.52 110.431 -176.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 29.8 m -115.25 155.19 16.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.937 -0.574 . . . . 1.59 110.756 -178.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . 0.456 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 46.1 mtpt -82.93 107.79 15.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 4.22 110.333 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.74 140.11 52.27 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.788 -0.642 . . . . 1.57 110.221 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 18.8 tp -73.9 104.5 4.79 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 109.039 -0.726 . . . . 1.87 109.039 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' THR . . . . . 0.493 HG22 ' HA ' ' B' ' 38' ' ' VAL . 65.3 p -129.5 166.24 20.04 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.982 -0.554 . . . . 1.44 109.625 -176.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' THR . . . . . 0.441 ' CG2' ' HB ' ' B' ' 37' ' ' THR . 8.8 t -118.17 116.03 25.99 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.398 0.618 . . . . 1.63 110.137 178.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -94.25 -25.22 17.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.841 -0.618 . . . . 2.46 110.926 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -124.73 -91.03 0.55 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.739 -0.21 . . . . 3.09 110.501 176.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -134.29 3.48 3.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.756 0.312 . . . . 3.76 111.563 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -124.97 159.47 31.17 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.085 -0.339 . . . . 3.02 110.085 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.2 128.25 43.92 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.236 -0.438 . . . . 1.8 110.178 178.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.75 152.57 42.45 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.327 -0.397 . . . . 1.79 110.648 -178.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -75.37 100.46 4.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.125 0.488 . . . . 2.87 110.136 178.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' ARG . . . . . 0.478 ' HB3' ' OD2' ' B' ' 30' ' ' ASP . 33.2 mmt180 -100.26 165.42 11.49 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.587 -0.733 . . . . 3.93 110.137 -179.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -104.2 101.79 11.52 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.662 -0.866 . . . . 2.75 108.662 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . 0.445 ' O ' ' HA ' ' B' ' 86' ' ' PHE . 44.9 pt -112.15 144.9 19.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.117 0.484 . . . . 1.33 111.334 -170.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.689 ' HA ' ' O ' ' B' ' 85' ' ' THR . 13.9 ptm180 -79.56 123.79 27.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.143 -0.935 . . . . 4.28 111.227 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' ILE . . . . . 0.446 HD12 ' O ' ' B' ' 54' ' ' PHE . 35.7 pt -125.34 157.97 33.99 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 CA-C-N 115.502 -0.772 . . . . 1.36 110.011 173.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -65.53 118.35 9.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.73 -0.668 . . . . 1.69 110.075 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' THR . . . . . 0.465 ' O ' ' HB ' ' B' ' 56' ' ' THR . 1.7 m -93.32 -56.81 2.81 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.834 -0.621 . . . . 2.65 111.238 -172.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -159.63 155.7 26.63 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.829 -0.623 . . . . 1.64 109.974 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . 0.681 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 35.7 t -96.14 108.89 21.4 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.351 -0.611 . . . . 1.6 109.351 178.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.414 HG23 ' O ' ' B' ' 81' ' ' THR . 21.9 m -99.39 150.15 5.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.984 -0.553 . . . . 1.53 110.77 -174.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . 0.584 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 54.0 t -100.95 115.24 29.98 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.567 -0.531 . . . . 1.45 109.567 177.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.421 HG22 ' O ' ' B' ' 79' ' ' TYR . 15.6 m -89.75 149.31 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 N-CA-C 109.642 -0.503 . . . . 2.0 109.642 177.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . 0.543 ' HB3' ' CE3' ' B' ' 76' ' ' TRP . 94.2 mt -118.88 139.65 51.28 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.984 0.421 . . . . 1.86 110.604 -178.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' SER . . . . . 0.425 ' OG ' ' HB3' ' B' ' 77' ' ' ASN . 29.7 p -131.45 150.27 52.21 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.241 -0.436 . . . . 3.01 110.082 175.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -75.85 8.52 3.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.402 -0.363 . . . . 7.45 111.658 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt 74.82 -51.05 0.67 Allowed 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.618 0.767 . . . . 4.91 110.295 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -83.98 170.67 13.72 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.437 -0.579 . . . . 4.74 109.437 172.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 64.0 p 58.16 168.49 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.03 0.932 . . . . 6.02 112.266 -178.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' ARG . . . . . . . . . . . . . 77.1 mtm180 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.306 -0.854 . . . . 9.38 109.941 -179.427 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 120.815 0.341 . . . . 14.21 111.024 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.9 t -109.81 -3.69 16.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.903 0.383 . . . . 12.85 110.681 -178.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.0 p -79.28 75.0 5.86 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.3 -0.409 . . . . 11.6 110.847 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.429 ' C ' ' H ' ' A' ' 6' ' ' VAL . 33.4 t60 59.14 79.82 0.29 Allowed Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 115.83 -0.623 . . . . 10.94 110.154 -179.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.68 32.82 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.79 2.327 . . . . 8.15 112.588 -178.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.429 ' H ' ' C ' ' A' ' 4' ' ' HIS . 6.2 t 60.16 19.22 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 115.443 -0.799 . . . . 7.04 110.704 178.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 12.4 t80 55.78 53.41 9.45 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.612 -0.722 . . . . 7.84 109.767 -176.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.1 t60 63.38 44.04 5.71 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.667 -0.697 . . . . 8.41 110.02 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 71.5 mtp 62.15 26.41 15.87 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.819 -0.628 . . . . 5.62 111.007 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.9 142.12 11.6 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 111.41 -0.676 . . . . 4.39 111.41 -176.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -74.64 75.46 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.43 0.633 . . . . 4.63 110.309 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -47.86 137.35 9.93 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 114.81 -1.087 . . . . 4.02 111.489 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.5 m -123.75 137.54 54.67 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.715 -0.675 . . . . 2.58 110.159 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.5 m -63.79 -23.33 33.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 121.165 0.507 . . . . 1.8 110.6 176.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.7 t -132.47 133.61 44.05 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.584 -0.895 . . . . 1.75 108.584 173.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -67.26 130.31 42.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.301 0.572 . . . . 2.87 110.996 -175.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.401 ' HB2' HG23 ' A' ' 56' ' ' THR . 32.8 p -123.91 148.15 47.09 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.689 -0.687 . . . . 1.91 110.34 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.47 115.35 49.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.244 0.545 . . . . 1.88 110.21 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.6 p -94.72 113.82 25.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.673 -0.694 . . . . 1.95 110.179 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.5 t -121.61 138.19 52.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.039 -0.528 . . . . 1.55 110.666 -176.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 86.9 m95 -90.82 95.57 10.2 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.42 -0.955 . . . . 1.86 108.42 169.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.1 t -69.57 117.84 12.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.634 -0.712 . . . . 1.41 109.765 -176.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.475 ' HA2' ' CD1' ' A' ' 52' ' ' TYR . . . -73.87 -35.04 55.11 Favored Glycine 0 N--CA 1.44 -1.042 0 CA-C-N 115.561 -0.745 . . . . 1.36 112.659 -175.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -138.23 71.68 1.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.805 0.302 . . . . 3.02 111.397 -175.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.8 tttp -71.83 131.57 43.23 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.031 -0.729 . . . . 1.64 109.031 173.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.5 t -102.54 -33.21 9.57 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.847 0.684 . . . . 2.12 112.847 -171.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.7 p -141.63 144.0 33.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.031 -0.418 . . . . 1.54 111.742 -176.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.47 159.47 38.67 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.837 -0.62 . . . . 1.29 110.512 175.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.7 m -96.03 120.64 36.68 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.406 -0.361 . . . . 1.53 110.649 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -67.81 160.64 27.87 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.914 -0.585 . . . . 1.85 109.788 174.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.5 tt -54.9 -30.84 23.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.765 0.317 . . . . 1.74 111.515 -177.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -80.06 2.56 23.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.528 -0.306 . . . . 2.65 111.539 -177.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.37 28.49 27.39 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.936 -0.649 . . . . 1.25 112.011 178.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -101.92 113.06 25.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.483 0.182 . . . . 2.58 110.686 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -76.55 113.91 14.69 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.308 -0.997 . . . . 2.19 108.308 173.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.0 m -130.44 159.41 42.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-O 121.185 0.517 . . . . 1.48 111.811 -171.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.401 ' HB ' ' CG2' ' A' ' 92' ' ' THR . 26.0 m -81.81 115.46 21.03 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.017 -0.992 . . . . 1.5 110.01 178.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.4 t -85.27 140.36 16.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.645 -0.707 . . . . 1.55 110.367 -177.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.7 mt -105.59 123.53 48.06 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.484 -0.561 . . . . 1.91 109.484 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.33 -20.05 57.63 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.985 -0.552 . . . . 2.35 110.453 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -105.42 115.54 30.43 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.451 -0.944 . . . . 3.59 108.451 178.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.473 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 20.9 m -97.86 129.62 47.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 C-N-CA 120.459 -0.497 . . . . 2.85 110.751 -176.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.428 ' H ' HD21 ' A' ' 90' ' ' LEU . 9.1 p30 -104.12 115.7 30.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.533 0.682 . . . . 3.25 110.319 177.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 70.3 mt -109.11 95.09 3.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.529 -0.76 . . . . 2.98 109.042 174.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.9 m120 67.76 -83.2 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.312 -0.858 . . . . 3.91 110.326 -176.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -136.28 24.89 3.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.051 0.453 . . . . 5.31 110.614 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.5 t -123.12 114.37 20.24 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.512 -0.551 . . . . 3.53 109.512 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.473 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 41.8 t -112.93 122.68 67.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.094 -0.503 . . . . 2.78 110.424 -179.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.44 ' O ' HG21 ' A' ' 42' ' ' VAL . 42.1 p90 -149.89 152.09 34.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.415 -0.357 . . . . 4.85 110.675 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.16 146.99 35.89 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.539 -0.541 . . . . 5.38 109.539 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.05 1.26 2.45 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.939 -0.304 . . . . 5.18 111.435 -178.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.475 ' CD1' ' HA2' ' A' ' 23' ' ' GLY . 7.1 m-85 68.27 176.21 0.26 Allowed 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.856 0.723 . . . . 2.96 111.122 178.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -127.16 125.07 40.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 1.28 110.602 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -84.39 108.53 17.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.772 0.32 . . . . 4.41 110.621 -177.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -123.5 136.73 54.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.161 -0.472 . . . . 1.49 110.407 178.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.401 HG23 ' HB2' ' A' ' 17' ' ' SER . 32.5 m -117.03 110.02 17.71 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.052 -0.522 . . . . 1.56 109.606 178.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -104.03 146.38 28.79 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.234 -0.439 . . . . 2.93 110.63 -173.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.542 ' SG ' HG23 ' A' ' 82' ' ' THR . 73.1 m -72.23 122.33 20.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.299 -0.41 . . . . 1.77 110.332 176.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -79.15 86.04 4.99 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.439 -0.578 . . . . 3.84 109.439 176.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 72.89 139.96 0.06 Allowed 'General case' 0 N--CA 1.465 0.296 0 O-C-N 124.082 0.864 . . . . 2.96 110.195 -171.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 41.4 m -76.21 -4.32 41.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.068 -0.515 . . . . 3.02 112.04 -174.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -149.26 104.9 3.33 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.435 -0.348 . . . . 2.59 110.112 177.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.78 -34.48 61.45 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.278 1.985 . . . . 2.81 111.558 175.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.8 m -121.4 154.65 25.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.863 -0.608 . . . . 2.53 109.574 176.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -79.1 65.05 4.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.313 0.578 . . . . 4.19 110.779 -175.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 76.0 p -177.87 -28.15 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.979 -1.009 . . . . 4.07 109.412 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.451 ' CA ' ' HB2' ' A' ' 78' ' ' SER . . . 162.13 -114.34 0.6 Allowed Glycine 0 N--CA 1.442 -0.966 0 CA-C-N 115.418 -0.81 . . . . 2.7 112.055 179.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 73.8 m -116.66 166.34 12.23 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.108 -0.33 . . . . 1.76 110.108 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 69' ' ' ARG . 33.2 mtm180 -72.67 131.88 42.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.491 -0.322 . . . . 4.4 110.523 -178.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.52 -34.57 4.65 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.773 -0.727 . . . . 1.61 112.494 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.2 mm -63.94 132.57 29.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.907 0.384 . . . . 2.04 111.578 -177.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -67.77 105.93 2.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.711 -0.677 . . . . 3.32 109.432 173.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.473 ' HA ' ' O ' ' A' ' 76' ' ' TRP . 19.9 m -79.16 1.2 25.3 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.042 -0.526 . . . . 4.99 111.645 -173.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -90.13 -41.23 11.76 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.542 -0.54 . . . . 3.32 109.542 177.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -86.45 -31.28 21.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.471 -0.786 . . . . 4.16 111.245 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.473 ' O ' ' HA ' ' A' ' 73' ' ' SER . 84.6 m95 -137.28 130.77 31.33 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.847 0.314 . . . . 3.71 111.847 -175.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.556 ' HB3' ' O ' ' A' ' 113' ' ' SER . 28.0 t-20 -92.53 135.34 34.14 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 107.368 -1.345 . . . . 3.0 107.368 167.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.788 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 0.9 OUTLIER -111.37 151.14 28.8 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.112 0.482 . . . . 2.16 111.728 -170.473 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -147.25 133.79 19.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.375 -0.829 . . . . 4.07 109.064 177.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.46 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 34.6 m -81.33 123.43 28.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.841 0.353 . . . . 1.67 110.422 -178.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.8 m -128.13 129.13 46.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.168 -0.469 . . . . 2.49 109.926 -177.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.542 HG23 ' SG ' ' A' ' 58' ' ' CYS . 1.2 p -80.41 134.12 35.97 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.016 0.436 . . . . 3.09 111.442 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.9 p -76.79 137.46 39.27 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 121.324 0.583 . . . . 3.17 110.69 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -103.45 119.93 39.85 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.152 -0.931 . . . . 4.4 111.07 -173.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.548 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 13.2 t -125.99 161.9 26.49 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.555 -0.535 . . . . 1.61 109.555 176.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -110.33 119.63 39.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.838 0.352 . . . . 2.52 110.458 -177.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.6 m -113.85 153.51 15.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.061 -0.518 . . . . 1.59 111.303 -178.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.427 ' HG2' ' CE2' ' A' ' 101' ' ' PHE . 89.0 mttt -80.01 105.96 11.68 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.244 -0.889 . . . . 4.22 110.166 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.82 144.37 51.09 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.183 -0.462 . . . . 1.57 110.541 -178.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.428 HD21 ' H ' ' A' ' 43' ' ' ASN . 29.1 tp -80.83 133.06 35.54 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.232 -0.655 . . . . 1.87 109.232 178.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 67.4 p -129.29 160.63 32.39 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.882 -0.414 . . . . 1.44 109.882 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.401 ' CG2' ' HB ' ' A' ' 37' ' ' THR . 4.7 t -99.77 110.22 22.61 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.465 0.65 . . . . 1.63 109.429 175.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -69.15 -33.94 74.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.395 -0.82 . . . . 2.47 109.895 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -175.82 -73.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.257 -0.883 . . . . 3.09 108.768 176.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.417 ' HB2' ' NE2' ' A' ' 96' ' ' GLN . 52.6 mttp -108.82 -24.66 11.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.848 -0.615 . . . . 3.75 109.694 174.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.417 ' NE2' ' HB2' ' A' ' 95' ' ' LYS . 22.2 mp0 -103.03 152.0 21.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.563 -0.744 . . . . 3.02 110.431 -176.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -98.83 125.47 44.22 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.065 -0.516 . . . . 1.8 110.123 176.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -129.08 141.92 51.06 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.31 -0.405 . . . . 1.79 110.664 -177.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -77.65 126.38 30.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.071 -0.513 . . . . 2.88 110.542 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -122.73 172.19 8.61 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.278 -0.419 . . . . 3.92 110.105 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.427 ' CE2' ' HG2' ' A' ' 88' ' ' LYS . 89.8 m-85 -113.36 106.6 14.78 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.348 -0.982 . . . . 2.74 108.348 176.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 39.6 pt -111.94 143.94 20.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.235 0.54 . . . . 1.33 111.351 -170.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.548 ' HA ' ' O ' ' A' ' 85' ' ' THR . 38.0 ptt180 -77.47 123.9 27.18 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.079 -0.964 . . . . 4.27 110.48 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 45.5 pt -123.27 151.91 27.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.989 -0.551 . . . . 1.36 110.319 174.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.424 ' HB3' ' HB ' ' A' ' 82' ' ' THR . 13.4 m-20 -79.14 100.6 7.5 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.362 -0.977 . . . . 1.69 108.362 175.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.478 HG22 ' OG1' ' B' ' 106' ' ' THR . 8.9 t -94.29 -18.67 21.41 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 112.394 0.516 . . . . 2.66 112.394 -169.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -160.96 171.73 18.18 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.855 -0.424 . . . . 1.64 109.855 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.46 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 51.8 t -125.39 119.92 29.64 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.881 0.372 . . . . 1.59 110.203 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.0 m -112.39 175.67 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.003 -0.544 . . . . 1.52 109.693 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.788 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 42.3 t -124.76 117.72 24.81 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 110.012 -0.366 . . . . 1.45 110.012 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 78' ' ' SER . 23.4 m -85.62 148.27 4.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.614 -0.513 . . . . 2.0 109.614 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.1 mt -119.4 136.7 54.17 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.819 -0.352 . . . . 1.86 110.782 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.556 ' O ' ' HB3' ' A' ' 77' ' ' ASN . 27.4 p -178.64 99.06 0.03 OUTLIER 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.01 -0.541 . . . . 3.01 110.839 176.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.405 ' N ' ' H ' ' A' ' 77' ' ' ASN . 26.6 tpt180 -99.81 -40.66 7.61 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.929 0.871 . . . . 7.46 108.864 167.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -123.62 143.9 49.94 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.29 -1.323 . . . . 4.91 109.104 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -126.35 125.72 42.71 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.905 0.383 . . . . 4.73 111.011 -177.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 39.2 p -88.25 -178.89 6.03 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.824 -0.626 . . . . 6.02 109.744 175.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 . . . . . 0 C--O 1.25 1.13 0 CA-C-O 119.011 -0.518 . . . . 9.37 110.02 -178.083 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.477 0.924 0 CA-C-O 120.561 0.22 . . . . 14.21 110.753 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -109.09 -4.28 16.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.846 0.355 . . . . 12.86 110.727 -177.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 3.8 p -78.55 75.36 5.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.256 -0.429 . . . . 11.6 110.916 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . 0.445 ' C ' ' H ' ' B' ' 6' ' ' VAL . 32.7 t60 58.82 79.63 0.3 Allowed Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 115.784 -0.643 . . . . 10.95 110.217 -179.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.16 32.47 0.37 Allowed 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.903 2.402 . . . . 8.15 112.638 -178.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . 0.445 ' H ' ' C ' ' B' ' 4' ' ' HIS . 6.3 t 60.49 18.88 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 115.535 -0.757 . . . . 7.04 110.639 178.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 12.6 t80 56.0 53.49 9.11 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.481 -0.781 . . . . 7.83 109.779 -176.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 31.4 t60 63.31 43.94 5.86 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.57 -0.741 . . . . 8.41 110.058 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 72.1 mtp 62.18 26.73 16.06 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.782 -0.644 . . . . 5.62 110.89 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.91 142.59 11.89 Favored Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 111.355 -0.698 . . . . 4.39 111.355 -176.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -75.04 76.25 2.23 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.511 0.672 . . . . 4.62 110.174 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -48.4 137.19 11.63 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 114.662 -1.154 . . . . 4.01 111.651 -179.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 10.6 m -123.65 137.41 54.73 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.706 -0.679 . . . . 2.58 110.144 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.0 m -63.74 -23.2 32.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 121.299 0.571 . . . . 1.81 110.612 176.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 43.5 t -132.62 133.75 44.02 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.54 -0.911 . . . . 1.75 108.54 173.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -67.48 130.69 43.83 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.201 0.524 . . . . 2.87 111.03 -175.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.413 ' HB2' HG23 ' B' ' 56' ' ' THR . 31.8 p -123.97 148.45 46.93 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.675 -0.693 . . . . 1.91 110.229 -178.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.75 115.23 48.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.228 0.537 . . . . 1.88 110.128 177.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 17.2 p -94.59 114.1 26.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.753 -0.658 . . . . 1.95 110.115 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 60.0 t -122.03 138.18 53.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.113 -0.494 . . . . 1.55 110.61 -176.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -91.09 95.49 10.11 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.364 -0.976 . . . . 1.86 108.364 169.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 51.2 t -69.54 118.11 13.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.607 -0.724 . . . . 1.41 109.651 -176.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.477 ' HA2' ' CD1' ' B' ' 52' ' ' TYR . . . -74.04 -35.05 54.5 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-N 115.499 -0.773 . . . . 1.36 112.621 -176.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -138.4 71.74 1.4 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.862 0.331 . . . . 3.01 111.382 -175.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -71.95 131.69 43.3 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.072 -0.714 . . . . 1.64 109.072 173.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 10.3 t -102.41 -33.15 9.65 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.781 0.66 . . . . 2.11 112.781 -170.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 7.8 p -141.66 144.23 34.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.952 0.406 . . . . 1.53 111.806 -176.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.43 159.46 38.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.921 -0.581 . . . . 1.29 110.459 175.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 8.1 m -95.89 120.56 36.38 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.306 -0.406 . . . . 1.52 110.701 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -68.09 160.66 28.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.856 -0.611 . . . . 1.84 109.872 174.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 13.4 tt -54.7 -31.0 23.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-O 120.806 0.336 . . . . 1.74 111.681 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -79.98 2.74 22.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.44 -0.346 . . . . 2.65 111.421 -177.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.0 28.55 28.22 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.795 -0.717 . . . . 1.25 112.036 178.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -101.85 113.16 26.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.498 0.189 . . . . 2.58 110.745 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -76.46 114.05 14.74 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.291 -1.003 . . . . 2.19 108.291 173.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 13.9 m -130.73 159.46 42.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.144 0.497 . . . . 1.48 111.891 -171.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' THR . . . . . 0.421 ' HB ' ' CG2' ' B' ' 92' ' ' THR . 23.7 m -81.52 115.62 20.91 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.94 -1.027 . . . . 1.5 110.024 178.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 58.6 t -85.33 140.44 15.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.743 -0.662 . . . . 1.55 110.219 -177.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 65.4 mt -105.68 123.32 47.74 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.529 -0.545 . . . . 1.91 109.529 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.83 -20.03 58.46 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.368 0.604 . . . . 2.34 110.653 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -105.42 115.58 30.5 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.419 -0.956 . . . . 3.59 108.419 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.485 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 21.1 m -97.97 129.74 47.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 C-N-CA 120.324 -0.55 . . . . 2.85 110.733 -176.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . 0.434 ' H ' HD21 ' B' ' 90' ' ' LEU . 9.1 p30 -104.22 115.6 30.68 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.478 0.656 . . . . 3.25 110.233 177.134 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 70.6 mt -108.9 95.15 3.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 108.919 -0.771 . . . . 2.98 108.919 174.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 14.8 m120 67.63 -83.07 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.356 -0.838 . . . . 3.91 110.409 -176.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -136.71 25.61 3.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.946 0.403 . . . . 5.31 110.528 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 43.5 t -123.61 114.15 19.63 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.452 -0.574 . . . . 3.54 109.452 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 42.2 t -112.64 123.17 68.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.054 -0.521 . . . . 2.78 110.214 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . 0.431 ' O ' HG21 ' B' ' 42' ' ' VAL . 41.5 p90 -150.19 152.44 34.64 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.294 -0.412 . . . . 4.84 110.523 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.7 146.92 36.67 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.408 -0.59 . . . . 5.38 109.408 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.08 1.6 2.48 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.931 -0.308 . . . . 5.18 111.434 -178.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' TYR . . . . . 0.477 ' CD1' ' HA2' ' B' ' 23' ' ' GLY . 7.0 m-85 68.15 176.44 0.26 Allowed 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.736 0.648 . . . . 2.96 111.177 178.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -127.46 124.95 39.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.229 -0.441 . . . . 1.28 110.562 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -84.23 108.37 17.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.682 0.277 . . . . 4.41 110.595 -177.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -123.48 136.72 54.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.365 -0.379 . . . . 1.49 110.443 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.413 HG23 ' HB2' ' B' ' 17' ' ' SER . 32.0 m -116.93 110.26 18.09 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.091 -0.504 . . . . 1.57 109.723 178.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -104.25 146.26 29.04 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.227 -0.442 . . . . 2.93 110.571 -173.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' CYS . . . . . 0.556 ' SG ' HG23 ' B' ' 82' ' ' THR . 73.0 m -72.37 121.95 20.38 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.191 -0.459 . . . . 1.77 110.329 177.028 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -78.71 85.98 4.7 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.481 -0.563 . . . . 3.85 109.481 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . 72.91 139.94 0.06 Allowed 'General case' 0 N--CA 1.464 0.256 0 O-C-N 124.206 0.941 . . . . 2.96 110.315 -171.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 45.9 m -76.23 -4.46 42.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.127 -0.488 . . . . 3.01 112.098 -174.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -148.85 105.37 3.42 Favored Pre-proline 0 C--O 1.234 0.248 0 CA-C-N 116.378 -0.373 . . . . 2.59 110.084 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -64.01 -34.6 58.32 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.225 1.95 . . . . 2.81 111.491 175.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 28.3 m -121.39 154.75 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.907 -0.588 . . . . 2.53 109.567 176.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -78.93 64.57 3.91 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.357 0.599 . . . . 4.2 110.827 -176.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 73.4 p -177.6 -28.05 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.168 -0.924 . . . . 4.07 109.404 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.46 ' CA ' ' HB2' ' B' ' 78' ' ' SER . . . 161.95 -114.44 0.61 Allowed Glycine 0 N--CA 1.44 -1.073 0 CA-C-N 115.519 -0.764 . . . . 2.7 112.03 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 73.8 m -116.9 166.08 12.58 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.15 -0.315 . . . . 1.76 110.15 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 33.3 mtm180 -72.63 131.96 43.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.618 -0.265 . . . . 4.4 110.421 -178.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.65 -34.02 4.99 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.855 -0.688 . . . . 1.61 112.296 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 49.2 mm -64.55 132.39 30.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.902 0.382 . . . . 2.04 111.653 -177.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -67.53 105.86 1.97 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.671 -0.695 . . . . 3.32 109.372 173.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' SER . . . . . 0.461 ' HA ' ' O ' ' B' ' 76' ' ' TRP . 20.1 m -79.33 1.58 24.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.06 -0.518 . . . . 4.99 111.772 -173.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -90.48 -41.18 11.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.349 0.595 . . . . 3.33 109.49 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 30.9 m-70 -86.35 -31.53 21.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.378 -0.828 . . . . 4.16 111.12 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' TRP . . . . . 0.461 ' O ' ' HA ' ' B' ' 73' ' ' SER . 84.6 m95 -137.1 130.79 31.75 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.87 0.322 . . . . 3.7 111.87 -174.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' ASN . . . . . 0.562 ' HB3' ' O ' ' B' ' 113' ' ' SER . 28.1 t-20 -92.54 135.22 34.26 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.416 -1.327 . . . . 3.0 107.416 167.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.782 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 0.9 OUTLIER -111.39 151.1 28.87 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.167 0.508 . . . . 2.16 111.767 -170.473 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -147.3 133.9 19.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.383 -0.826 . . . . 4.07 109.221 177.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . 0.457 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 34.7 m -81.32 123.26 28.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.833 0.349 . . . . 1.67 110.388 -178.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 26.3 m -127.91 129.36 46.72 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.206 -0.452 . . . . 2.49 110.014 -177.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.556 HG23 ' SG ' ' B' ' 58' ' ' CYS . 1.2 p -80.37 133.91 35.97 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.967 0.413 . . . . 3.09 111.466 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 7.1 p -76.65 137.73 39.61 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 121.215 0.531 . . . . 3.17 110.842 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -103.57 120.3 40.6 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.209 -0.905 . . . . 4.39 110.937 -172.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' THR . . . . . 0.561 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 13.5 t -126.28 161.91 26.69 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.568 -0.531 . . . . 1.61 109.568 176.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -110.42 119.58 39.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.816 0.341 . . . . 2.52 110.484 -177.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 18.7 m -113.75 153.57 15.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.116 -0.493 . . . . 1.59 111.351 -178.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . 0.433 ' HG2' ' CE2' ' B' ' 101' ' ' PHE . 89.1 mttt -80.03 105.81 11.58 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.29 -0.868 . . . . 4.22 110.179 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.77 144.38 51.09 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.141 -0.481 . . . . 1.57 110.523 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . 0.434 HD21 ' H ' ' B' ' 43' ' ' ASN . 29.3 tp -80.95 133.1 35.46 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.164 -0.68 . . . . 1.87 109.164 178.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 66.8 p -129.31 160.44 33.01 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.936 -0.394 . . . . 1.44 109.936 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' THR . . . . . 0.421 ' CG2' ' HB ' ' B' ' 37' ' ' THR . 4.9 t -99.52 110.47 22.93 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.435 0.636 . . . . 1.63 109.393 175.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -69.16 -34.32 74.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.438 -0.801 . . . . 2.46 109.817 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -175.81 -72.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.235 -0.893 . . . . 3.09 109.062 176.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . 0.418 ' HB2' ' NE2' ' B' ' 96' ' ' GLN . 52.8 mttp -109.58 -23.33 11.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.856 -0.611 . . . . 3.76 109.848 174.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' GLN . . . . . 0.418 ' NE2' ' HB2' ' B' ' 95' ' ' LYS . 22.2 mp0 -104.07 152.01 22.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.644 -0.707 . . . . 3.02 110.495 -176.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -98.98 125.27 44.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.056 -0.52 . . . . 1.8 110.092 176.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -128.83 142.0 51.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.167 -0.47 . . . . 1.79 110.528 -177.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -77.56 126.72 31.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.217 -0.447 . . . . 2.87 110.496 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -123.13 172.13 8.8 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.04 -0.527 . . . . 3.93 110.256 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.433 ' CE2' ' HG2' ' B' ' 88' ' ' LYS . 89.9 m-85 -113.38 106.48 14.63 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.407 -0.96 . . . . 2.75 108.407 177.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 39.7 pt -111.89 143.95 20.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.221 0.534 . . . . 1.33 111.306 -169.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.561 ' HA ' ' O ' ' B' ' 85' ' ' THR . 37.9 ptt180 -77.48 124.04 27.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.074 -0.966 . . . . 4.28 110.34 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 45.3 pt -123.28 151.9 27.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-N 116.026 -0.534 . . . . 1.36 110.27 174.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . 0.413 ' HB3' ' HB ' ' B' ' 82' ' ' THR . 15.1 m-20 -78.94 100.59 7.32 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.401 -0.962 . . . . 1.69 108.401 175.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' THR . . . . . 0.478 ' OG1' HG22 ' A' ' 106' ' ' THR . 9.0 t -94.17 -18.83 21.33 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 112.349 0.5 . . . . 2.65 112.349 -169.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . 0.413 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -160.81 172.05 17.71 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.912 -0.403 . . . . 1.64 109.912 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . 0.457 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 51.1 t -125.44 119.94 29.63 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.872 0.368 . . . . 1.6 110.205 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 20.9 m -112.45 175.83 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.048 -0.524 . . . . 1.53 109.747 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . 0.782 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 42.4 t -124.85 117.72 24.76 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 110.028 -0.36 . . . . 1.45 110.028 -179.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' B' ' 78' ' ' SER . 23.7 m -85.64 148.26 4.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.56 -0.533 . . . . 2.0 109.56 178.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . 0.402 ' HB3' ' HB3' ' B' ' 76' ' ' TRP . 65.0 mt -119.38 136.77 54.13 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.851 -0.34 . . . . 1.86 110.836 -177.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' SER . . . . . 0.562 ' O ' ' HB3' ' B' ' 77' ' ' ASN . 32.5 p -178.76 99.01 0.03 OUTLIER 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 116.109 -0.496 . . . . 3.01 110.804 176.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' ARG . . . . . 0.403 ' N ' ' H ' ' B' ' 77' ' ' ASN . 26.4 tpt180 -99.93 -40.64 7.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.927 0.87 . . . . 7.45 108.746 167.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -123.62 143.41 50.25 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.176 -1.374 . . . . 4.91 109.286 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -125.81 126.43 44.51 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.776 0.322 . . . . 4.74 110.907 -177.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 40.0 p -88.61 -178.4 5.8 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.918 -0.583 . . . . 6.02 109.703 175.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 . . . . . 0 C--O 1.252 1.219 0 CA-C-O 119.176 -0.44 . . . . 9.38 110.195 -178.745 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.5 t . . . . . 0 N--CA 1.474 0.769 0 CA-C-O 120.929 0.395 . . . . 14.21 110.086 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 p -94.0 -46.66 7.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.259 -0.428 . . . . 12.85 110.505 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.2 p -73.52 120.09 18.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.076 -0.511 . . . . 11.6 110.461 178.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -129.84 97.53 23.72 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.055 -0.521 . . . . 10.94 111.338 -176.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.408 ' C ' ' H ' ' A' ' 7' ' ' PHE . 9.1 Cg_exo -71.89 69.03 3.04 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.855 2.37 . . . . 8.15 112.015 176.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.599 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 61.2 t 74.63 -29.56 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 123.548 0.739 . . . . 7.04 112.35 177.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.408 ' H ' ' C ' ' A' ' 5' ' ' PRO . 52.2 t80 -55.13 -64.37 0.86 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.503 -0.317 . . . . 7.84 110.671 -177.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -85.32 63.05 7.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.402 0.62 . . . . 8.41 110.447 178.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.599 ' SD ' ' HA ' ' A' ' 6' ' ' VAL . 80.6 mtp -132.19 13.39 4.67 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.534 -0.757 . . . . 5.62 109.199 172.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -177.52 -79.12 0.05 OUTLIER Glycine 0 N--CA 1.442 -0.907 0 CA-C-N 114.993 -1.003 . . . . 4.39 111.426 -177.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 59.07 18.86 6.73 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 122.748 0.419 . . . . 4.63 111.438 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -81.13 83.03 6.88 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.761 -0.459 . . . . 4.02 109.761 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.1 p -60.18 132.89 55.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.984 -0.553 . . . . 2.58 110.555 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.5 m -57.03 -25.04 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 115.664 -0.698 . . . . 1.8 111.52 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.41 ' HA ' ' HG3' ' A' ' 63' ' ' PRO . 46.7 t -131.72 137.95 48.45 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.448 -0.575 . . . . 1.75 109.448 175.209 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -70.57 116.05 10.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.194 0.521 . . . . 2.87 110.229 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.0 m -121.15 135.33 55.18 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.964 -0.562 . . . . 1.91 110.785 -176.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 56' ' ' THR . 7.4 p -109.39 117.1 53.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.946 0.403 . . . . 1.88 110.366 178.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.449 ' HB2' ' CE2' ' A' ' 54' ' ' PHE . 29.1 p -100.06 121.57 41.6 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.254 -0.43 . . . . 1.95 110.396 -179.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.6 t -119.86 138.01 51.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.42 -0.355 . . . . 1.55 110.929 -177.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -97.5 95.84 7.92 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.635 -0.876 . . . . 1.86 108.635 171.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 49.0 t -82.84 115.86 26.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.823 -0.626 . . . . 1.41 110.949 -174.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -97.66 14.41 63.11 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.703 -0.761 . . . . 1.36 111.934 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -159.19 76.7 0.71 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.166 0.508 . . . . 3.02 110.472 179.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.662 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 59.1 tttp -99.84 110.61 22.97 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.593 -0.892 . . . . 1.64 108.593 173.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.425 ' O ' ' HA ' ' A' ' 37' ' ' THR . 14.7 t -82.47 -29.95 30.27 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.185 0.439 . . . . 2.12 112.185 -170.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.9 p -140.96 145.32 35.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.22 0.533 . . . . 1.54 112.015 -176.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.34 162.49 38.06 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.704 -0.68 . . . . 1.29 110.012 175.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.4 m -95.07 118.75 32.4 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 116.171 -0.468 . . . . 1.53 110.565 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -65.99 157.9 29.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.02 -0.991 . . . . 1.85 108.958 175.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.3 tt -62.38 -20.19 24.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.254 0.55 . . . . 1.74 110.467 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -75.25 -8.72 57.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.649 -0.705 . . . . 2.65 110.495 176.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.83 17.74 55.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.165 -0.54 . . . . 1.25 111.799 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -103.24 159.16 15.8 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.616 0.246 . . . . 2.58 110.746 -177.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -99.2 116.7 32.01 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.887 -0.412 . . . . 2.19 109.887 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.3 m -117.97 154.59 19.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.23 -0.441 . . . . 1.48 111.186 -177.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 26' ' ' THR . 36.0 m -89.01 115.86 26.88 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.658 -0.701 . . . . 1.5 110.28 -179.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.662 ' HB ' ' O ' ' A' ' 25' ' ' LYS . 39.7 t -86.07 140.09 16.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.214 -0.448 . . . . 1.55 110.65 -174.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 46.8 mt -109.28 121.76 45.88 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.851 -0.426 . . . . 1.91 109.851 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.58 -32.38 60.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.321 0.581 . . . . 2.35 109.874 177.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -106.25 115.35 30.06 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.042 -0.981 . . . . 3.59 108.603 175.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.493 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 16.9 m -96.97 126.64 49.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.299 0.571 . . . . 2.85 110.844 -175.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -103.71 99.67 9.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.645 -0.707 . . . . 3.25 109.482 178.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 53.5 mt -95.81 -78.47 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.968 -0.293 . . . . 2.98 111.185 -176.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -123.91 65.59 1.04 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.555 -0.535 . . . . 3.91 109.555 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 61.23 24.11 14.25 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.367 -0.833 . . . . 5.31 110.36 -175.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.3 m -124.57 114.98 20.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.257 -0.883 . . . . 3.53 108.643 178.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 26.3 t -98.5 113.03 32.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 120.919 0.39 . . . . 2.78 110.788 -176.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.419 ' O ' HG21 ' A' ' 42' ' ' VAL . 95.0 m-85 -113.62 151.93 31.05 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.86 -0.609 . . . . 4.85 109.406 177.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -124.89 153.53 42.49 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.074 0.464 . . . . 5.38 111.031 -177.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.488 ' HB3' ' HD3' ' B' ' 88' ' ' LYS . 8.6 pt20 -142.37 133.83 26.5 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.51 -0.768 . . . . 5.18 110.457 177.064 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -91.86 123.77 35.48 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.16 -0.682 . . . . 2.96 109.16 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -80.75 113.67 19.11 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.075 0.464 . . . . 1.28 110.289 -175.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.449 ' CE2' ' HB2' ' A' ' 19' ' ' SER . 90.7 t80 -83.35 98.55 9.52 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.405 -0.816 . . . . 4.41 109.893 -176.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.562 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 29.8 mt-10 -111.16 117.36 33.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.783 -0.644 . . . . 1.49 110.072 -178.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.508 ' HB ' ' HA ' ' A' ' 107' ' ' ALA . 34.6 m -104.34 118.11 35.83 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.133 -0.485 . . . . 1.56 109.995 176.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -112.02 156.01 22.86 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.019 -0.537 . . . . 2.93 110.856 -175.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 62.8 m -80.55 122.75 27.43 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.721 -0.672 . . . . 1.77 110.159 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -82.01 82.78 7.49 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.982 -0.747 . . . . 3.84 108.982 175.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 76.31 131.35 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 O-C-N 124.383 1.052 . . . . 2.96 110.033 -172.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.4 p -65.42 -19.68 66.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.74 -0.664 . . . . 3.02 111.839 -175.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -137.67 88.8 15.99 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.022 -0.536 . . . . 2.59 109.698 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.41 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 9.2 Cg_endo -54.3 -38.91 88.78 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.835 2.357 . . . . 2.81 112.442 -178.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.2 m -118.62 157.12 20.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.887 -0.412 . . . . 2.53 109.887 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -79.43 71.52 6.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.27 0.557 . . . . 4.19 110.288 -177.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.7 t 175.69 -25.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.689 -1.141 . . . . 4.07 108.772 -178.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.85 -109.42 0.46 Allowed Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.381 -0.827 . . . . 2.7 111.412 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 72.8 m -110.71 167.53 10.16 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.661 0.267 . . . . 1.76 110.517 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -68.39 127.09 31.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.185 -0.462 . . . . 4.4 109.976 -178.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.59 -22.73 39.45 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.925 -0.655 . . . . 1.61 112.163 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 40.6 mm -81.05 117.47 27.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-O 120.999 0.428 . . . . 2.04 110.663 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -146.62 96.53 2.77 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.873 -0.603 . . . . 3.32 109.955 176.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.492 ' HB3' ' HB2' ' A' ' 76' ' ' TRP . 45.8 t -155.42 145.41 21.57 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.003 -0.544 . . . . 4.99 110.103 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -74.58 -11.15 60.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.499 -0.773 . . . . 3.32 110.952 -177.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.402 ' O ' ' HD2' ' A' ' 114' ' ' ARG . 53.0 m80 -123.59 19.63 9.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.138 -0.483 . . . . 4.16 111.679 -179.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.492 ' HB2' ' HB3' ' A' ' 73' ' ' SER . 46.7 m95 -136.98 117.17 13.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.086 0.469 . . . . 3.71 110.978 175.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -113.95 133.57 55.39 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.291 -1.004 . . . . 3.0 108.291 171.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.449 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 1.3 m -101.98 144.91 30.0 Favored 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 120.694 -0.403 . . . . 2.16 111.128 -174.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -139.21 135.44 33.96 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.539 -0.541 . . . . 4.07 109.539 170.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.689 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 65.5 m -88.66 129.58 35.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.73 -0.668 . . . . 1.67 110.363 -178.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.447 ' O ' HG22 ' A' ' 109' ' ' VAL . 60.5 m -135.22 132.8 38.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.179 -0.464 . . . . 2.49 110.131 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.3 p -80.71 132.68 35.58 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.131 0.491 . . . . 3.09 111.194 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.1 m -76.79 126.65 31.35 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.726 -0.67 . . . . 3.17 109.852 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.496 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 75.5 m80 -106.66 121.74 44.95 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.298 -0.41 . . . . 4.4 110.255 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.625 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 6.5 t -112.42 160.44 17.73 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.428 -0.582 . . . . 1.61 109.428 177.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.44 ' CE2' ' HB3' ' A' ' 103' ' ' ARG . 78.9 m-85 -108.31 115.55 30.32 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.911 0.386 . . . . 2.52 110.36 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.7 m -116.41 134.65 59.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.917 -0.583 . . . . 1.59 110.375 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.563 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 5.2 ptmm? -80.61 94.98 6.41 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.509 0.671 . . . . 4.22 110.958 178.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -111.26 155.06 23.56 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.081 -0.963 . . . . 1.57 109.468 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.5 tp -72.78 104.62 4.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.184 0.516 . . . . 1.87 109.94 -177.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.465 HG22 ' HA ' ' A' ' 38' ' ' VAL . 43.8 p -122.34 156.84 33.08 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.033 -0.728 . . . . 1.44 109.033 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.4 t -111.29 119.81 40.14 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.436 0.636 . . . . 1.63 110.399 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -69.94 -29.44 66.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.103 -0.953 . . . . 2.47 110.512 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -170.7 -72.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.992 -0.549 . . . . 3.09 109.881 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -112.99 -26.94 8.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.82 0.343 . . . . 3.75 110.97 177.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -92.25 138.93 31.11 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.394 -0.366 . . . . 3.02 110.688 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.22 127.44 47.8 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.323 -0.621 . . . . 1.8 109.323 172.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -146.23 151.3 37.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.723 0.297 . . . . 1.79 110.672 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -76.4 91.84 3.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.079 -0.51 . . . . 2.88 110.243 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.563 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 36.6 mmt180 -95.26 147.32 23.6 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.871 -0.604 . . . . 3.92 110.075 -176.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -81.71 105.23 12.68 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.087 -0.506 . . . . 2.74 109.761 177.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 36.3 pt -113.41 146.87 17.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.317 -0.401 . . . . 1.33 110.836 -176.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.625 ' HA ' ' O ' ' A' ' 85' ' ' THR . 38.2 ptt180 -84.25 124.92 31.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.666 -0.697 . . . . 4.27 111.151 -177.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.496 ' O ' ' HA ' ' A' ' 84' ' ' HIS . 40.4 pt -123.71 152.43 28.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.909 -0.587 . . . . 1.36 110.78 176.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.562 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 4.4 m-20 -83.1 110.58 18.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.716 -0.675 . . . . 1.69 109.743 178.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.499 ' HB ' ' HB ' ' B' ' 106' ' ' THR . 24.5 p -90.49 -44.06 9.84 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.144 0.424 . . . . 2.66 112.144 -175.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.508 ' HA ' ' HB ' ' A' ' 56' ' ' THR . . . -155.74 155.54 33.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.433 -0.348 . . . . 1.64 110.652 -177.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.689 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 42.4 t -100.31 113.69 26.59 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.363 -0.606 . . . . 1.59 109.363 176.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 81' ' ' THR . 18.2 m -102.79 146.37 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.972 0.415 . . . . 1.52 110.627 -176.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.449 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 41.7 t -96.43 115.89 28.16 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.867 -0.606 . . . . 1.45 109.453 176.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 9.6 m -115.43 145.54 21.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 116.312 -0.403 . . . . 2.0 110.024 178.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.423 ' CD2' ' HG ' ' A' ' 78' ' ' SER . 61.6 mt -101.25 156.45 17.43 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.281 0.562 . . . . 1.86 110.916 -174.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.5 p -127.97 139.51 52.53 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.136 -0.938 . . . . 3.01 108.786 173.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.602 ' HB3' ' O ' ' A' ' 117' ' ' THR . 28.3 tpt180 -77.8 -5.34 50.48 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.946 0.403 . . . . 7.46 110.762 -173.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp 71.74 -71.6 0.13 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.506 -0.77 . . . . 4.91 111.781 174.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.94 -38.81 52.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.106 0.479 . . . . 4.73 110.598 -177.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.602 ' O ' ' HB3' ' A' ' 114' ' ' ARG . 14.2 p -127.6 -172.56 2.7 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.869 -0.605 . . . . 6.02 110.586 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? . . . . . 0 C--O 1.244 0.782 0 N-CA-C 108.778 -0.823 . . . . 9.37 108.778 176.547 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 40.3 t . . . . . 0 N--CA 1.478 0.974 0 CA-C-O 120.947 0.403 . . . . 14.21 110.141 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.3 p -93.36 -46.48 7.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.254 -0.43 . . . . 12.86 110.529 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 1.9 p -73.84 119.29 17.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.964 -0.562 . . . . 11.6 110.654 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 -129.16 97.41 26.07 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.04 -0.527 . . . . 10.95 111.435 -175.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . 0.412 ' C ' ' H ' ' B' ' 7' ' ' PHE . 9.3 Cg_exo -72.03 69.05 3.14 Favored 'Trans proline' 0 CA--C 1.53 0.287 0 C-N-CA 122.867 2.378 . . . . 8.15 111.915 176.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . 0.601 ' HA ' ' SD ' ' B' ' 9' ' ' MET . 58.4 t 74.91 -29.76 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 123.392 0.677 . . . . 7.04 112.292 177.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.412 ' H ' ' C ' ' B' ' 5' ' ' PRO . 51.3 t80 -54.96 -64.41 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.549 -0.296 . . . . 7.83 110.812 -177.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -85.29 62.71 7.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.403 0.62 . . . . 8.41 110.294 178.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' MET . . . . . 0.601 ' SD ' ' HA ' ' B' ' 6' ' ' VAL . 81.5 mtp -132.12 13.28 4.7 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.636 -0.711 . . . . 5.62 109.095 173.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -177.6 -79.18 0.06 OUTLIER Glycine 0 N--CA 1.443 -0.854 0 CA-C-N 114.96 -1.018 . . . . 4.39 111.455 -177.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 59.35 18.31 6.63 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 122.699 0.4 . . . . 4.62 111.519 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -80.72 82.97 6.58 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.676 -0.49 . . . . 4.01 109.676 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 10.9 p -60.05 132.88 55.3 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.032 -0.531 . . . . 2.58 110.508 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.1 m -57.18 -25.02 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 CA-C-N 115.661 -0.7 . . . . 1.81 111.524 -178.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.402 ' HA ' ' HG3' ' B' ' 63' ' ' PRO . 45.3 t -131.65 137.89 48.52 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.391 -0.596 . . . . 1.75 109.391 175.038 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -70.02 116.01 9.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.117 0.484 . . . . 2.87 110.182 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 19.4 m -120.94 135.93 55.08 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.042 -0.527 . . . . 1.91 110.733 -176.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' B' ' 56' ' ' THR . 7.6 p -109.97 117.07 53.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.131 0.491 . . . . 1.88 110.343 178.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.433 ' HB2' ' CE2' ' B' ' 54' ' ' PHE . 25.5 p -100.3 121.11 40.97 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.155 -0.475 . . . . 1.95 110.51 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 44.7 t -119.78 138.06 51.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.765 0.317 . . . . 1.55 110.874 -177.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -97.54 95.93 7.96 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.594 -0.891 . . . . 1.86 108.594 171.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 48.8 t -82.76 116.02 26.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.907 -0.588 . . . . 1.41 110.939 -174.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -97.83 14.67 62.68 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.695 -0.764 . . . . 1.36 112.015 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -159.51 76.43 0.67 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.245 0.545 . . . . 3.01 110.52 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.646 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 59.0 tttp -99.36 111.45 23.81 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.581 -0.896 . . . . 1.64 108.581 173.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.438 ' O ' ' HA ' ' B' ' 37' ' ' THR . 14.5 t -83.2 -29.8 28.26 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.263 0.468 . . . . 2.11 112.263 -170.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 11.4 p -140.99 145.54 36.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.056 0.455 . . . . 1.53 111.829 -176.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.61 162.63 38.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.699 -0.682 . . . . 1.29 109.966 174.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 16.9 m -95.12 118.82 32.58 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.222 -0.444 . . . . 1.52 110.498 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . 0.418 ' OD2' ' HB3' ' B' ' 100' ' ' ARG . 10.5 t70 -65.98 157.56 30.52 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.094 -0.957 . . . . 1.84 108.963 175.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 17.5 tt -61.95 -20.41 23.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.13 0.49 . . . . 1.74 110.432 178.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -75.02 -8.83 57.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.848 -0.615 . . . . 2.65 110.488 176.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.82 17.95 55.42 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.105 -0.569 . . . . 1.25 111.848 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -103.41 159.19 15.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.697 0.284 . . . . 2.58 110.69 -176.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -99.33 116.7 32.11 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.857 -0.423 . . . . 2.19 109.857 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 31.6 m -117.86 154.58 19.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 120.943 0.401 . . . . 1.48 111.268 -177.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' B' ' 26' ' ' THR . 29.7 m -88.65 115.98 26.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.646 -0.707 . . . . 1.5 110.293 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.646 ' HB ' ' O ' ' B' ' 25' ' ' LYS . 39.6 t -86.25 140.15 16.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.29 -0.414 . . . . 1.55 110.667 -174.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 47.1 mt -109.36 121.5 45.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.192 -0.458 . . . . 1.91 109.917 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.42 -32.03 60.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.214 0.531 . . . . 2.34 109.936 177.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -106.67 115.31 29.99 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.395 -0.965 . . . . 3.59 108.395 176.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.485 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 17.1 m -96.9 126.5 49.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.282 0.563 . . . . 2.85 110.901 -175.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -103.3 99.48 9.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.742 -0.663 . . . . 3.25 109.656 178.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 54.2 mt -95.65 -78.34 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.756 -0.378 . . . . 2.98 110.982 -176.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -124.08 65.78 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.366 -0.605 . . . . 3.91 109.366 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 60.87 24.27 14.26 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.528 -0.76 . . . . 5.31 110.416 -175.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 13.2 m -124.86 114.93 19.86 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.117 -0.947 . . . . 3.54 108.588 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 26.3 t -98.62 113.28 32.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.062 0.458 . . . . 2.78 110.635 -177.018 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . 0.404 ' O ' HG21 ' B' ' 42' ' ' VAL . 94.9 m-85 -113.63 151.99 30.99 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.619 -0.719 . . . . 4.84 109.36 177.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -124.92 153.46 42.64 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.99 0.424 . . . . 5.38 111.191 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . 0.48 ' HB3' ' HD3' ' A' ' 88' ' ' LYS . 8.6 pt20 -142.33 133.95 26.74 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.666 -0.697 . . . . 5.18 110.457 177.007 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -91.97 123.77 35.58 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 109.147 -0.686 . . . . 2.96 109.147 178.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -80.72 113.54 18.99 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.147 0.499 . . . . 1.28 110.368 -175.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . 0.433 ' CE2' ' HB2' ' B' ' 19' ' ' SER . 90.6 t80 -83.26 98.56 9.47 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.408 -0.815 . . . . 4.41 109.895 -176.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . 0.561 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 30.3 mt-10 -111.18 117.17 32.48 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.769 -0.651 . . . . 1.49 110.175 -178.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.476 ' HB ' ' HA ' ' B' ' 107' ' ' ALA . 35.7 m -104.45 118.09 35.76 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.255 -0.43 . . . . 1.57 109.981 177.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -111.93 156.23 22.41 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.117 -0.492 . . . . 2.93 110.853 -175.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 63.3 m -80.89 122.14 26.85 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.576 -0.738 . . . . 1.77 110.278 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -81.49 82.68 7.2 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.081 -0.711 . . . . 3.85 109.081 175.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . 76.45 131.54 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 O-C-N 124.522 1.139 . . . . 2.96 110.086 -172.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 29.9 p -65.65 -19.62 65.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.852 -0.613 . . . . 3.01 111.802 -175.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -137.69 88.84 15.93 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.032 -0.531 . . . . 2.59 109.763 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . 0.402 ' HG3' ' HA ' ' B' ' 15' ' ' CYS . 9.3 Cg_endo -54.51 -38.34 90.11 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.813 2.342 . . . . 2.81 112.532 -178.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 35.3 m -119.07 157.1 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.717 -0.475 . . . . 2.53 109.717 177.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -79.24 72.36 5.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.166 0.507 . . . . 4.2 110.27 -177.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 22.8 t 174.7 -25.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.856 -1.065 . . . . 4.07 108.698 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.79 -109.49 0.47 Allowed Glycine 0 N--CA 1.445 -0.764 0 CA-C-N 115.387 -0.824 . . . . 2.7 111.455 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 72.5 m -110.55 167.63 10.07 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.681 0.277 . . . . 1.76 110.392 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' B' ' 69' ' ' ARG . 45.4 mtt180 -68.34 127.25 32.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 4.4 110.083 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.11 -22.44 40.88 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.844 -0.693 . . . . 1.61 112.216 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 40.9 mm -81.42 117.21 27.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.359 . . . . 2.04 110.608 -179.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -146.63 96.92 2.84 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.818 -0.628 . . . . 3.32 109.876 176.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' SER . . . . . 0.475 ' HB3' ' HB2' ' B' ' 76' ' ' TRP . 46.2 t -155.76 145.39 21.12 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.093 -0.503 . . . . 4.99 109.87 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -74.08 -12.22 60.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.473 -0.785 . . . . 3.33 110.826 -176.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 52.8 m80 -122.88 19.71 10.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.356 -0.384 . . . . 4.16 111.604 -179.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' TRP . . . . . 0.475 ' HB2' ' HB3' ' B' ' 73' ' ' SER . 47.2 m95 -136.75 117.09 13.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.899 0.38 . . . . 3.7 111.088 175.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -113.81 133.82 55.16 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.258 -1.015 . . . . 3.0 108.258 171.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.437 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 1.3 m -102.26 145.09 29.94 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.478 -0.489 . . . . 2.16 111.036 -174.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -139.29 135.2 33.59 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.662 -0.496 . . . . 4.07 109.662 170.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . 0.682 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 64.1 m -88.21 129.69 35.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.694 -0.685 . . . . 1.67 110.527 -178.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.432 ' O ' HG22 ' B' ' 109' ' ' VAL . 56.1 m -135.32 132.92 38.27 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.294 -0.412 . . . . 2.49 110.334 -179.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 20.9 p -80.86 132.5 35.46 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.153 0.501 . . . . 3.09 111.41 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 22.6 m -76.67 126.64 31.33 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.785 -0.643 . . . . 3.17 109.739 177.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' HIS . . . . . 0.479 ' HA ' ' O ' ' B' ' 104' ' ' ILE . 76.0 m80 -106.76 122.05 45.59 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.288 -0.414 . . . . 4.39 110.144 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' THR . . . . . 0.633 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 6.5 t -112.65 160.56 17.77 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.431 -0.581 . . . . 1.61 109.431 177.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.43 ' CE2' ' HB3' ' B' ' 103' ' ' ARG . 78.5 m-85 -108.5 115.59 30.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.0 0.428 . . . . 2.52 110.317 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 23.6 m -116.47 134.5 59.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.865 -0.607 . . . . 1.59 110.418 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . 0.574 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 5.2 ptmm? -80.43 95.23 6.37 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.523 0.677 . . . . 4.22 110.833 178.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -111.54 155.09 23.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.075 -0.966 . . . . 1.57 109.432 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 18.5 tp -72.6 104.52 3.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.064 0.459 . . . . 1.87 109.862 -177.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' THR . . . . . 0.478 HG22 ' HA ' ' B' ' 38' ' ' VAL . 43.7 p -122.45 157.02 32.84 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.079 -0.711 . . . . 1.44 109.079 178.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 10.2 t -111.58 119.32 38.31 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.623 0.725 . . . . 1.63 110.6 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -69.63 -29.42 66.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.299 -0.864 . . . . 2.46 110.381 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -170.95 -71.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.975 -0.557 . . . . 3.09 110.011 178.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -113.62 -26.11 8.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.819 0.343 . . . . 3.76 110.923 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -93.12 138.98 31.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.385 -0.37 . . . . 3.02 110.492 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.27 127.62 47.79 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.179 -0.674 . . . . 1.8 109.179 172.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -146.37 151.36 37.34 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.769 0.318 . . . . 1.79 110.639 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 75.0 m95 -76.47 92.36 3.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.119 -0.491 . . . . 2.87 110.045 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' ARG . . . . . 0.574 ' O ' ' HA ' ' B' ' 88' ' ' LYS . 36.6 mmt180 -95.63 147.18 23.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.709 -0.678 . . . . 3.93 110.027 -177.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -81.71 105.48 12.88 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.631 -0.507 . . . . 2.75 109.631 177.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 36.2 pt -113.5 146.94 17.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.217 -0.447 . . . . 1.33 110.908 -176.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.633 ' HA ' ' O ' ' B' ' 85' ' ' THR . 38.3 ptt180 -84.28 124.65 31.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.694 -0.685 . . . . 4.28 111.319 -177.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' ILE . . . . . 0.479 ' O ' ' HA ' ' B' ' 84' ' ' HIS . 40.5 pt -123.64 152.34 28.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.036 -0.529 . . . . 1.36 110.783 176.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . 0.561 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 4.3 m-20 -82.99 110.67 18.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.587 -0.733 . . . . 1.69 109.851 178.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' THR . . . . . 0.499 ' HB ' ' HB ' ' A' ' 106' ' ' THR . 24.4 p -90.42 -43.98 9.93 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.074 0.398 . . . . 2.65 112.074 -175.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . 0.476 ' HA ' ' HB ' ' B' ' 56' ' ' THR . . . -155.89 155.5 32.99 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.553 -0.294 . . . . 1.64 110.686 -177.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . 0.682 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 42.1 t -100.38 113.36 26.05 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.406 -0.59 . . . . 1.6 109.406 176.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.432 HG22 ' O ' ' B' ' 81' ' ' THR . 18.2 m -102.58 146.31 10.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.979 0.418 . . . . 1.53 110.631 -176.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . 0.437 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 41.7 t -96.32 115.97 28.28 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.845 -0.616 . . . . 1.45 109.478 176.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 9.9 m -115.52 145.57 21.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.363 -0.38 . . . . 2.0 110.145 178.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . 0.41 ' CD2' ' HG ' ' B' ' 78' ' ' SER . 61.4 mt -101.18 156.28 17.52 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.975 -0.557 . . . . 1.86 110.871 -174.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 15.4 p -127.82 139.74 52.46 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.157 -0.928 . . . . 3.01 108.768 173.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' ARG . . . . . 0.604 ' HB3' ' O ' ' B' ' 117' ' ' THR . 28.5 tpt180 -78.18 -4.94 50.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.309 -0.405 . . . . 7.45 110.656 -173.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp 71.42 -71.66 0.13 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.538 -0.755 . . . . 4.91 111.898 174.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.9 -38.22 53.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.989 0.423 . . . . 4.74 110.844 -177.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' THR . . . . . 0.604 ' O ' ' HB3' ' B' ' 114' ' ' ARG . 11.8 p -128.3 -172.85 2.8 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.855 -0.611 . . . . 6.02 110.395 -179.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? . . . . . 0 C--O 1.247 0.95 0 N-CA-C 108.781 -0.822 . . . . 9.38 108.781 176.509 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.478 0.929 0 CA-C-O 120.906 0.384 . . . . 14.21 110.819 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 p -65.89 -47.6 74.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.006 0.431 . . . . 12.85 110.671 -178.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.5 p -87.19 103.6 15.57 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.19 -0.459 . . . . 11.6 110.232 176.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -135.18 88.0 27.14 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 121.226 0.536 . . . . 10.94 111.103 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -84.23 43.5 1.37 Allowed 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.571 2.181 . . . . 8.15 111.898 178.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 t 59.4 35.89 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 115.749 -0.66 . . . . 7.04 109.949 -178.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.7 t80 55.96 50.09 14.54 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.58 -0.736 . . . . 7.84 109.643 -174.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.429 ' C ' ' H ' ' A' ' 10' ' ' GLY . 44.4 t60 57.33 49.61 12.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.308 -0.86 . . . . 8.41 109.579 -175.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 56.1 tpp 73.85 -35.25 0.3 Allowed 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.198 -0.91 . . . . 5.62 111.01 -176.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.429 ' H ' ' C ' ' A' ' 8' ' ' HIS . . . 128.13 -179.37 16.57 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.908 -0.663 . . . . 4.39 112.131 175.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.47 29.08 6.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.393 0.616 . . . . 4.63 109.807 176.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -68.21 128.33 36.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.334 -0.848 . . . . 4.02 110.365 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.1 t -151.97 161.61 42.37 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.131 -0.486 . . . . 2.58 109.876 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 m -75.57 -17.35 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.954 -0.566 . . . . 1.8 110.711 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 97.7 m -123.15 124.64 43.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.785 -0.643 . . . . 1.75 109.876 176.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.97 115.49 2.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 2.87 110.566 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.5 m -124.96 130.21 51.9 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.129 -0.487 . . . . 1.91 110.415 -177.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' A' ' 56' ' ' THR . 7.1 p -112.47 115.54 50.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.133 0.492 . . . . 1.88 110.716 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 47.9 m -89.87 117.43 28.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.303 -0.408 . . . . 1.95 110.067 177.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.2 t -118.97 138.41 49.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.141 -0.482 . . . . 1.55 110.066 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -102.69 95.79 6.45 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.241 -0.652 . . . . 1.86 109.241 175.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.0 t -93.69 108.68 20.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.5 -0.773 . . . . 1.41 110.487 -175.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.39 11.25 58.24 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.404 -0.903 . . . . 1.36 112.032 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -132.71 29.58 4.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.709 0.29 . . . . 3.02 110.838 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.627 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 85.6 tttt -75.92 108.5 8.84 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.122 -0.695 . . . . 1.64 109.122 177.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.1 t -95.05 -7.79 38.58 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.037 0.384 . . . . 2.12 112.037 -173.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.4 p -141.54 134.17 28.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.723 0.297 . . . . 1.54 110.966 177.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.49 161.26 40.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.184 -0.462 . . . . 1.29 110.507 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.0 m -96.34 116.98 29.91 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.175 0.512 . . . . 1.53 110.788 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.407 ' CG ' HH21 ' A' ' 100' ' ' ARG . 20.8 t70 -65.72 164.89 13.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.079 -0.964 . . . . 1.85 110.758 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.459 ' HA ' ' CE2' ' A' ' 86' ' ' PHE . 16.0 tt -61.05 -28.89 44.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.671 0.272 . . . . 1.74 111.199 -179.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -78.22 -11.45 59.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.454 -0.339 . . . . 2.65 110.87 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.57 14.92 36.19 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.753 -0.736 . . . . 1.25 112.565 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -94.3 141.61 28.37 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.433 -0.21 . . . . 2.58 110.433 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -85.74 115.19 23.25 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.909 -0.775 . . . . 2.19 108.909 173.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 m -115.54 153.62 17.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.057 -0.52 . . . . 1.48 111.002 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.7 m -88.69 108.63 19.57 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.384 -0.825 . . . . 1.5 110.515 -177.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.627 ' HB ' ' O ' ' A' ' 25' ' ' LYS . 15.6 t -79.4 136.87 22.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.089 -0.708 . . . . 1.55 109.089 178.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.0 mt -82.35 2.82 30.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.723 -0.217 . . . . 1.91 111.42 -176.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.48 ' H ' HG12 ' A' ' 38' ' ' VAL . . . 69.64 -45.97 0.58 Allowed 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.926 0.89 . . . . 2.35 111.677 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -127.09 149.82 49.76 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.386 -0.598 . . . . 3.59 109.386 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.7 m -96.85 124.68 49.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.545 -0.539 . . . . 2.85 109.545 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -78.43 149.2 33.32 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.519 -0.549 . . . . 3.25 109.519 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.441 ' HB ' ' HB ' ' A' ' 48' ' ' VAL . 14.6 tt -71.45 77.05 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-O 122.061 0.934 . . . . 2.98 112.66 -171.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -90.1 -3.67 57.78 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.71 -1.219 . . . . 3.91 107.71 163.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -163.98 -46.93 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 113.862 -1.517 . . . . 5.31 108.371 176.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.6 p -147.18 159.25 43.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.534 -0.757 . . . . 3.53 109.566 177.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.441 ' HB ' ' HB ' ' A' ' 44' ' ' ILE . 4.1 p -123.81 112.62 33.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.473 0.654 . . . . 2.78 110.776 177.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -145.8 140.31 27.02 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.472 -0.786 . . . . 4.85 110.094 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -78.26 127.89 32.91 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.35 -0.611 . . . . 5.38 109.35 173.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.85 90.02 6.89 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.26 -0.427 . . . . 5.18 110.46 -175.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -75.38 122.28 23.53 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.233 -0.655 . . . . 2.96 109.233 173.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -96.74 118.84 34.06 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.039 -0.528 . . . . 1.28 110.173 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -83.9 93.74 8.09 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.543 0.687 . . . . 4.41 109.422 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.445 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 16.6 mt-10 -108.67 107.92 18.57 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.653 -0.703 . . . . 1.49 110.137 -176.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.533 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 42.3 m -96.02 104.66 16.62 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.599 -0.728 . . . . 1.56 109.568 176.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -102.75 151.75 22.03 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.561 -0.745 . . . . 2.93 110.331 -174.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.6 t -89.82 125.27 35.26 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.065 -0.516 . . . . 1.77 110.581 -176.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -96.99 16.02 20.71 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.037 -0.529 . . . . 3.84 110.372 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -146.76 172.41 13.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.787 -0.642 . . . . 2.96 110.331 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.1 m -140.45 -48.51 0.44 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.457 -0.571 . . . . 3.02 109.457 176.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -137.04 89.75 16.44 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 108.826 -0.805 . . . . 2.59 108.826 173.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -50.03 -31.26 27.16 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 123.456 2.771 . . . . 2.81 113.567 -177.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 36.0 m -124.49 -177.95 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.981 -0.287 . . . . 2.53 110.542 174.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -46.87 -45.02 20.06 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 113.023 0.749 . . . . 4.19 113.023 -175.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.459 ' HB3' ' OG ' ' A' ' 73' ' ' SER . 21.2 t -146.44 54.7 1.13 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.144 0.497 . . . . 4.07 110.401 -178.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.87 -156.02 26.84 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.405 -0.902 . . . . 2.7 112.617 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 71.7 m -100.55 160.92 13.96 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.316 -0.253 . . . . 1.76 110.316 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 33.8 mtm-85 -67.66 126.48 29.51 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.835 0.35 . . . . 4.4 110.8 -177.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.77 -29.76 11.82 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.992 -0.623 . . . . 1.61 111.903 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.2 mm -73.43 137.47 23.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 122.63 0.372 . . . . 2.04 111.228 -176.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -70.91 96.38 1.27 Allowed 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.115 -0.493 . . . . 3.32 110.596 175.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.564 ' HA ' ' O ' ' A' ' 76' ' ' TRP . 11.1 t -63.87 -16.29 61.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.211 0.529 . . . . 4.99 110.635 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -66.05 -28.79 69.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 3.32 111.391 176.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -119.83 -27.76 5.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.727 0.299 . . . . 4.16 110.969 -176.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.564 ' O ' ' HA ' ' A' ' 73' ' ' SER . 97.3 m95 -124.73 133.7 53.09 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.083 0.468 . . . . 3.71 111.327 -175.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.418 ' HB2' ' HG2' ' A' ' 115' ' ' LYS . 25.9 t-20 -103.44 134.48 46.74 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.643 -1.243 . . . . 3.0 107.643 167.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.685 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 1.3 m -128.11 147.95 50.56 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.72 0.295 . . . . 2.16 111.207 -171.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.46 ' O ' HG21 ' A' ' 111' ' ' VAL . 75.1 t80 -143.45 135.33 26.62 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.912 -0.586 . . . . 4.07 109.685 176.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.793 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 64.4 m -81.72 111.84 18.34 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.997 -0.547 . . . . 1.67 110.494 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.0 m -116.98 128.41 55.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.856 -0.611 . . . . 2.49 110.418 -176.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.1 m -87.42 119.61 27.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.952 0.406 . . . . 3.09 110.895 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.3 m -77.47 143.54 38.43 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.59 -0.522 . . . . 3.17 109.59 174.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -118.87 137.43 53.44 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.777 -0.453 . . . . 4.4 109.777 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.658 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 13.3 t -118.79 172.13 7.74 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.827 -0.435 . . . . 1.61 109.827 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.522 ' CE2' ' HB3' ' A' ' 103' ' ' ARG . 97.5 m-85 -119.42 124.94 47.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.791 0.329 . . . . 2.52 111.009 -174.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.3 m -120.35 145.36 26.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.998 -0.546 . . . . 1.59 110.658 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -83.43 113.66 20.91 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.523 0.678 . . . . 4.22 110.697 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.7 157.0 42.58 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.6 -0.727 . . . . 1.57 110.517 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.8 tp -83.13 106.91 15.32 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.436 -0.579 . . . . 1.87 109.436 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.6 p -118.16 147.67 43.11 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.737 -0.665 . . . . 1.44 110.535 -176.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' A' ' 96' ' ' GLN . 9.0 t -105.0 118.56 36.84 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.68 0.752 . . . . 1.63 111.01 -178.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -86.66 88.53 7.68 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.455 -0.943 . . . . 2.47 108.455 174.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 69.23 -70.01 0.15 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.08 -0.963 . . . . 3.09 110.913 -173.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -137.08 2.29 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.668 0.247 . . . . 3.75 111.668 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.44 ' O ' ' HA ' ' A' ' 92' ' ' THR . 57.9 tp60 -102.64 108.56 19.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.621 0.248 . . . . 3.02 110.959 -177.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.24 108.63 15.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.46 -0.337 . . . . 1.8 110.391 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -135.7 151.26 50.0 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.23 -0.441 . . . . 1.79 110.871 -177.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 81.9 m95 -77.44 118.45 19.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.986 -0.552 . . . . 2.88 110.199 178.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.407 HH21 ' CG ' ' A' ' 30' ' ' ASP . 17.1 mtp180 -129.27 162.84 26.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.203 -0.453 . . . . 3.92 110.365 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -97.79 111.81 23.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.061 -0.518 . . . . 2.74 109.857 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 23.2 pt -113.57 149.04 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.156 -0.475 . . . . 1.33 110.617 -176.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.658 ' HA ' ' O ' ' A' ' 85' ' ' THR . 19.5 ptp180 -89.13 137.69 32.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.312 0.577 . . . . 4.27 111.381 -174.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 30.2 pt -131.5 151.59 35.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.328 -0.851 . . . . 1.36 110.236 176.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.445 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 1.6 m-20 -64.82 121.3 14.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.771 -0.65 . . . . 1.69 109.509 177.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.514 ' O ' ' HB ' ' A' ' 56' ' ' THR . 2.3 m -97.65 -53.0 3.57 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.338 -0.392 . . . . 2.66 111.689 -172.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -166.78 157.86 12.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.386 -0.37 . . . . 1.64 110.186 -178.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.793 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 51.7 t -105.5 117.8 34.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.861 0.363 . . . . 1.59 110.036 177.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 26.3 m -105.02 150.25 7.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.111 -0.495 . . . . 1.52 110.533 -177.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.685 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 43.3 t -97.56 101.73 13.33 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.298 -0.63 . . . . 1.45 109.298 177.077 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.586 ' O ' ' HA ' ' A' ' 78' ' ' SER . 25.8 m -76.39 134.75 28.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.33 -0.395 . . . . 2.0 110.097 -178.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 97.3 mt -107.92 138.27 44.47 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.993 0.425 . . . . 1.86 110.476 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.2 p -134.4 146.96 50.36 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.684 -0.689 . . . . 3.01 109.172 174.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -77.12 7.16 5.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.954 0.407 . . . . 7.46 110.676 -175.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.418 ' HG2' ' HB2' ' A' ' 77' ' ' ASN . 42.9 mtmt 73.91 -52.57 0.69 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.909 0.884 . . . . 4.91 110.986 178.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -72.55 -30.45 64.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.378 0.609 . . . . 4.73 109.732 174.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 26.8 p -128.78 153.0 47.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.4 -0.818 . . . . 6.02 110.488 177.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.852 0 CA-C-O 118.456 -0.783 . . . . 9.37 109.339 178.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 5.8 p . . . . . 0 N--CA 1.475 0.818 0 CA-C-O 120.951 0.405 . . . . 14.21 110.868 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.2 p -65.6 -47.64 75.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.299 -0.409 . . . . 12.86 110.81 -178.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 14.2 p -87.15 103.95 15.9 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.172 -0.467 . . . . 11.6 110.192 176.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -135.32 87.72 27.12 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 121.175 0.512 . . . . 10.95 111.271 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -84.18 43.41 1.36 Allowed 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.643 2.229 . . . . 8.15 111.974 178.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 t 59.47 35.67 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 115.708 -0.678 . . . . 7.04 109.951 -178.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 51.4 t80 56.32 50.14 13.84 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.598 -0.728 . . . . 7.83 109.631 -174.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . 0.432 ' C ' ' H ' ' B' ' 10' ' ' GLY . 43.1 t60 57.01 49.76 13.29 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.238 -0.892 . . . . 8.41 109.719 -175.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 55.5 tpp 73.71 -35.82 0.32 Allowed 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.03 -0.986 . . . . 5.62 110.965 -176.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' B' ' 8' ' ' HIS . . . 128.91 -178.75 17.08 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.92 -0.657 . . . . 4.39 112.179 175.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.14 29.25 6.92 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.373 0.606 . . . . 4.62 109.732 176.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -68.45 128.37 36.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.498 -0.774 . . . . 4.01 110.261 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 28.9 t -151.98 161.71 42.22 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.757 -0.46 . . . . 2.58 109.757 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 m -75.82 -17.06 15.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.897 -0.592 . . . . 1.81 110.683 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 97.1 m -123.22 124.48 43.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.814 -0.63 . . . . 1.75 109.9 176.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.06 115.27 2.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 2.87 110.511 -178.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 21.1 m -124.58 130.72 52.98 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.959 -0.564 . . . . 1.91 110.406 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.527 ' O ' ' HA ' ' B' ' 56' ' ' THR . 7.1 p -112.78 115.52 50.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.101 0.477 . . . . 1.88 110.55 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 50.3 m -89.66 117.37 28.48 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.206 -0.452 . . . . 1.95 110.151 177.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 56.8 t -118.88 138.28 50.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.205 -0.452 . . . . 1.55 110.086 -179.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 83.7 m95 -102.6 95.71 6.41 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.386 -0.598 . . . . 1.86 109.386 175.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 21.9 t -93.76 108.69 20.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.441 -0.799 . . . . 1.41 110.468 -175.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.53 11.52 58.07 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.489 -0.862 . . . . 1.36 112.107 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -133.16 29.54 4.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.705 0.288 . . . . 3.01 110.865 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.629 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 85.7 tttt -75.78 108.46 8.66 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.089 -0.708 . . . . 1.64 109.089 177.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 11.3 t -95.15 -7.87 37.99 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.021 0.378 . . . . 2.11 112.021 -173.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.3 p -141.37 134.42 29.16 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.696 0.284 . . . . 1.53 110.931 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.77 160.91 41.66 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.286 -0.416 . . . . 1.29 110.577 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 16.9 m -95.94 117.07 29.9 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.122 0.487 . . . . 1.52 110.842 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . 0.421 ' CG ' HH21 ' B' ' 100' ' ' ARG . 21.6 t70 -65.97 164.76 14.51 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.025 -0.989 . . . . 1.84 110.711 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.457 ' HA ' ' CE2' ' B' ' 86' ' ' PHE . 16.2 tt -60.71 -28.98 44.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.842 0.353 . . . . 1.74 111.158 -179.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -78.28 -11.21 59.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.936 0.398 . . . . 2.65 111.064 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.89 13.79 38.94 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.798 -0.715 . . . . 1.25 112.604 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -93.7 141.5 28.42 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.357 -0.238 . . . . 2.58 110.357 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -85.42 115.53 23.21 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.87 -0.789 . . . . 2.19 108.87 173.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 29.8 m -116.03 153.78 17.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-O 121.047 0.451 . . . . 1.48 111.085 -176.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 22.8 m -88.61 108.42 19.43 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.425 -0.807 . . . . 1.5 110.48 -177.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.629 ' HB ' ' O ' ' B' ' 25' ' ' LYS . 15.4 t -79.34 136.91 22.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.156 -0.683 . . . . 1.55 109.156 178.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 97.1 mt -82.29 2.55 31.51 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.623 -0.262 . . . . 1.91 111.282 -176.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.488 ' H ' HG12 ' B' ' 38' ' ' VAL . . . 69.81 -46.17 0.59 Allowed 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.89 0.876 . . . . 2.34 111.65 -178.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -127.02 149.87 49.7 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.355 -0.609 . . . . 3.59 109.355 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 16.9 m -96.95 124.8 49.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.557 -0.535 . . . . 2.85 109.557 177.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -78.44 149.31 33.29 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.51 -0.552 . . . . 3.25 109.51 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.459 ' HB ' ' HB ' ' B' ' 48' ' ' VAL . 14.4 tt -71.66 76.73 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-O 122.143 0.973 . . . . 2.98 112.836 -172.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -90.02 -3.5 57.94 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.712 -1.218 . . . . 3.91 107.712 164.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -164.14 -46.92 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 113.931 -1.486 . . . . 5.31 108.375 176.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 18.2 p -147.28 159.08 44.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.527 -0.76 . . . . 3.54 109.645 177.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.459 ' HB ' ' HB ' ' B' ' 44' ' ' ILE . 4.3 p -123.74 112.64 33.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.472 0.653 . . . . 2.78 110.878 177.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -145.83 140.95 27.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.47 -0.787 . . . . 4.84 110.085 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' B' ' 50' ' ' ARG . 13.0 ttm180 -79.18 127.81 32.5 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.188 -0.671 . . . . 5.38 109.188 173.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.69 89.99 6.8 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.333 -0.394 . . . . 5.18 110.429 -175.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -75.31 122.12 23.23 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.248 -0.649 . . . . 2.96 109.248 173.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -96.6 118.89 34.04 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.128 -0.487 . . . . 1.28 110.154 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -83.95 93.75 8.11 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.515 0.674 . . . . 4.41 109.608 176.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . 0.446 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 16.8 mt-10 -108.58 107.82 18.47 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.709 -0.678 . . . . 1.49 110.157 -176.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.527 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 43.9 m -96.04 104.79 16.75 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.602 -0.726 . . . . 1.57 109.462 176.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -102.88 151.91 21.9 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.695 -0.684 . . . . 2.93 110.223 -174.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 4.6 t -90.06 125.66 35.5 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.112 0.482 . . . . 1.77 110.473 -176.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -97.23 15.98 21.19 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.812 -0.631 . . . . 3.85 110.3 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -146.93 172.46 13.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.828 -0.623 . . . . 2.96 110.268 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 42.8 m -140.78 -48.32 0.42 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.515 -0.55 . . . . 3.01 109.515 176.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -137.36 89.8 15.75 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 108.73 -0.841 . . . . 2.59 108.73 173.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -50.11 -31.16 27.38 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.543 2.829 . . . . 2.81 113.613 -177.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 35.8 m -124.54 -177.99 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.985 -0.286 . . . . 2.53 110.529 174.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -46.72 -45.39 19.54 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.887 0.699 . . . . 4.2 112.887 -175.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' SER . . . . . 0.454 ' HB3' ' OG ' ' B' ' 73' ' ' SER . 22.2 t -146.09 54.8 1.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.321 0.581 . . . . 4.07 110.376 -178.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.86 -156.03 26.84 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.329 -0.939 . . . . 2.7 112.595 177.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 71.4 m -100.44 161.05 13.86 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.281 -0.266 . . . . 1.76 110.281 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 33.9 mtm-85 -67.95 126.33 29.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.83 0.348 . . . . 4.4 110.841 -177.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.81 -29.64 12.07 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.937 -0.649 . . . . 1.61 112.05 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 49.3 mm -73.47 137.78 22.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 122.454 0.302 . . . . 2.04 111.206 -177.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -71.2 96.45 1.39 Allowed 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.085 -0.507 . . . . 3.32 110.661 175.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' SER . . . . . 0.577 ' HA ' ' O ' ' B' ' 76' ' ' TRP . 11.0 t -63.9 -16.27 61.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.295 0.569 . . . . 4.99 110.588 178.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -65.84 -29.22 69.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.079 -0.51 . . . . 3.33 111.487 176.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -119.6 -27.51 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.785 0.326 . . . . 4.16 111.067 -176.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' TRP . . . . . 0.577 ' O ' ' HA ' ' B' ' 73' ' ' SER . 97.5 m95 -124.79 133.77 53.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.116 0.484 . . . . 3.7 111.333 -176.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' ASN . . . . . 0.412 ' HB2' ' HG2' ' B' ' 115' ' ' LYS . 26.1 t-20 -103.37 134.45 46.73 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.735 -1.209 . . . . 3.0 107.735 167.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.674 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 1.3 m -128.12 148.13 50.57 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.769 0.319 . . . . 2.16 111.328 -171.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . 0.448 ' O ' HG21 ' B' ' 111' ' ' VAL . 74.9 t80 -143.53 135.36 26.51 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.793 -0.639 . . . . 4.07 109.717 176.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . 0.78 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 64.7 m -81.91 111.48 18.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.094 -0.503 . . . . 1.67 110.496 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 24.8 m -116.84 128.12 54.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.825 -0.625 . . . . 2.49 110.3 -176.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 23.0 m -86.6 120.17 27.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.865 0.364 . . . . 3.09 111.12 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 13.6 m -77.91 143.44 37.71 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.569 -0.53 . . . . 3.17 109.569 174.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -118.85 137.34 53.49 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.83 -0.433 . . . . 4.39 109.83 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' THR . . . . . 0.647 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 13.4 t -118.53 172.28 7.59 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.753 -0.462 . . . . 1.61 109.753 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.523 ' CE2' ' HB3' ' B' ' 103' ' ' ARG . 97.4 m-85 -119.51 124.91 47.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.827 0.346 . . . . 2.52 110.977 -174.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 m -120.26 145.54 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.926 -0.579 . . . . 1.59 110.756 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -83.59 113.61 20.95 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 121.593 0.711 . . . . 4.22 110.736 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.74 157.04 42.51 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.589 -0.732 . . . . 1.57 110.553 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 31.7 tp -83.06 106.92 15.26 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.416 -0.587 . . . . 1.87 109.416 177.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 52.8 p -118.26 147.51 43.36 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.738 -0.665 . . . . 1.44 110.447 -176.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' B' ' 96' ' ' GLN . 9.3 t -104.74 118.71 37.23 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.505 0.669 . . . . 1.63 110.979 -178.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -86.88 88.91 7.8 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.453 -0.943 . . . . 2.46 108.453 173.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 68.95 -69.68 0.15 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.084 -0.962 . . . . 3.09 111.052 -173.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -137.59 2.5 2.45 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.7 0.259 . . . . 3.76 111.7 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' GLN . . . . . 0.45 ' O ' ' HA ' ' B' ' 92' ' ' THR . 57.8 tp60 -103.04 108.38 19.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.565 0.222 . . . . 3.02 110.873 -177.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.22 108.83 15.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.34 -0.391 . . . . 1.8 110.202 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -135.76 151.19 49.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.203 -0.453 . . . . 1.79 110.88 -177.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 80.9 m95 -77.27 118.92 20.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.93 -0.577 . . . . 2.87 110.186 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' ARG . . . . . 0.421 HH21 ' CG ' ' B' ' 30' ' ' ASP . 17.1 mtp180 -129.72 162.4 28.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.227 -0.442 . . . . 3.93 110.503 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -97.31 111.96 23.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.099 -0.501 . . . . 2.75 109.931 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 23.5 pt -113.71 149.13 16.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.236 -0.438 . . . . 1.33 110.513 -176.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.647 ' HA ' ' O ' ' B' ' 85' ' ' THR . 19.4 ptp180 -89.11 137.73 32.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.277 0.56 . . . . 4.28 111.457 -174.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 30.4 pt -131.62 151.47 35.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.349 -0.841 . . . . 1.36 110.299 175.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . 0.446 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 1.6 m-20 -64.61 121.03 13.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.805 -0.634 . . . . 1.69 109.577 177.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' THR . . . . . 0.522 ' O ' ' HB ' ' B' ' 56' ' ' THR . 2.4 m -97.53 -53.05 3.56 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.403 -0.362 . . . . 2.65 111.658 -172.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -166.51 157.99 13.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 1.64 110.269 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . 0.78 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 51.5 t -105.56 117.74 34.78 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.951 0.405 . . . . 1.6 110.018 177.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 26.3 m -104.93 150.31 7.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.074 -0.512 . . . . 1.53 110.625 -177.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . 0.674 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 43.5 t -97.66 101.7 13.28 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.243 -0.651 . . . . 1.45 109.243 177.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.581 ' O ' ' HA ' ' B' ' 78' ' ' SER . 25.2 m -76.28 135.19 27.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.31 -0.404 . . . . 2.0 110.091 -178.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 96.9 mt -108.3 138.21 44.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.875 0.369 . . . . 1.86 110.399 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 24.4 p -134.33 146.82 50.32 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.213 -0.662 . . . . 3.01 109.213 174.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -76.9 7.15 5.1 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.909 0.385 . . . . 7.45 110.755 -175.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . 0.412 ' HG2' ' HB2' ' B' ' 77' ' ' ASN . 42.7 mtmt 73.71 -52.15 0.7 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.966 0.906 . . . . 4.91 110.977 178.526 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -72.81 -30.53 64.13 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.404 0.621 . . . . 4.74 109.766 174.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 25.2 p -128.71 153.18 47.59 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.493 -0.776 . . . . 6.02 110.511 177.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.264 -0.874 . . . . 9.38 109.499 178.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.5 m . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.84 0.352 . . . . 14.21 110.536 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 p -124.41 -70.21 0.77 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.861 0.362 . . . . 12.85 110.819 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.0 p -78.03 110.46 12.99 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.184 -0.462 . . . . 11.6 111.371 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 -147.27 117.87 4.51 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.164 -0.471 . . . . 10.94 110.424 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.4 ' HA ' ' HB3' ' B' ' 118' ' ' ARG . 93.3 Cg_endo -85.14 59.36 5.32 Favored 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 122.634 2.223 . . . . 8.15 111.986 178.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.8 t 56.14 59.25 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 109.1 -0.704 . . . . 7.04 109.1 -174.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 58.65 -99.2 0.09 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 114.961 -1.018 . . . . 7.84 110.039 -171.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -146.28 8.52 1.06 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.325 -0.991 . . . . 8.41 108.325 172.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 23.4 ptp 40.2 43.36 1.37 Allowed 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 114.088 -1.415 . . . . 5.62 111.567 -171.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -142.06 -12.26 0.46 Allowed Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.189 -0.914 . . . . 4.39 111.73 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.71 10.82 40.68 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.229 0.538 . . . . 4.63 110.368 177.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -84.83 71.16 10.9 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.224 -0.658 . . . . 4.02 109.224 175.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.3 p -75.01 133.69 41.61 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.109 -0.951 . . . . 2.58 110.419 -178.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.422 ' O ' ' HG2' ' A' ' 63' ' ' PRO . 28.3 m -59.82 -24.19 28.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.037 -0.529 . . . . 1.8 110.879 177.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.568 ' SG ' ' HB2' ' A' ' 110' ' ' CYS . 62.7 m -129.06 118.98 23.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.435 -0.802 . . . . 1.75 109.178 175.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -54.99 118.22 4.11 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 123.438 0.461 . . . . 2.87 110.76 -178.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.6 m -126.72 149.6 49.5 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.082 -0.508 . . . . 1.91 110.516 -177.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.545 ' O ' ' HA ' ' A' ' 56' ' ' THR . 7.1 p -122.3 132.0 72.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.411 -0.359 . . . . 1.88 111.06 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.8 m -91.48 124.03 35.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.788 0.328 . . . . 1.95 110.265 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.0 t -125.54 138.25 55.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.354 -0.384 . . . . 1.55 110.913 -175.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 93.9 m95 -103.11 96.51 6.84 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.037 -0.727 . . . . 1.86 109.037 172.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.6 t -84.71 109.03 17.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.861 -0.608 . . . . 1.41 110.566 -176.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.35 19.14 55.1 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.681 -0.771 . . . . 1.36 111.971 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -174.1 84.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.652 -0.499 . . . . 3.02 109.652 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -89.89 -17.15 28.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.517 -0.311 . . . . 1.64 111.441 -175.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.7 p 63.42 -54.24 0.2 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.053 1.341 . . . . 2.12 113.669 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.3 p -134.4 143.31 47.53 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.81 0.338 . . . . 1.54 111.099 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.17 156.29 40.65 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.208 -0.451 . . . . 1.29 110.717 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 56.4 m -99.92 120.52 39.92 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.082 -0.508 . . . . 1.53 111.237 -176.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.417 ' OD1' ' HG3' ' A' ' 32' ' ' LYS . 21.5 t70 -71.71 164.02 26.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.212 -0.904 . . . . 1.85 110.264 178.09 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.4 tt -57.64 -22.84 18.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 122.944 0.498 . . . . 1.74 111.834 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.417 ' HG3' ' OD1' ' A' ' 30' ' ' ASP . 35.8 mttp -82.46 -2.75 54.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.956 0.408 . . . . 2.65 110.912 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.56 17.79 57.93 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.963 -0.637 . . . . 1.25 111.746 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -93.77 131.26 39.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.699 0.285 . . . . 2.58 110.935 -178.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -86.61 114.71 23.55 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.846 -0.798 . . . . 2.19 108.846 176.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.4 m -122.9 156.98 28.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.118 0.485 . . . . 1.48 111.711 -174.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.5 m -83.45 117.96 23.42 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.307 -0.861 . . . . 1.5 110.41 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.4 t -87.37 130.74 36.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.941 -0.572 . . . . 1.55 110.64 -177.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.4 mt -88.38 113.6 24.15 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.523 -0.547 . . . . 1.91 109.523 177.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.15 -31.19 72.25 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.462 0.649 . . . . 2.35 109.684 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.494 ' HA ' ' HA ' ' A' ' 50' ' ' ARG . 39.0 mt-10 -115.74 115.29 26.07 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 114.922 -1.035 . . . . 3.59 108.756 174.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.504 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 25.6 m -93.06 139.1 18.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.244 0.545 . . . . 2.85 111.253 -173.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -101.08 99.64 10.11 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.368 -0.833 . . . . 3.25 109.721 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 52.5 mt -106.8 86.69 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.973 0.416 . . . . 2.98 110.256 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 61.27 63.71 1.18 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.572 -0.74 . . . . 3.91 110.449 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.7 m120 64.03 20.61 12.27 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.283 -0.871 . . . . 5.31 111.6 176.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.9 t -129.4 118.4 22.12 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.358 -0.608 . . . . 3.53 109.358 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 39.5 t -101.37 130.59 50.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.051 0.453 . . . . 2.78 111.527 -174.575 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.401 ' O ' HG22 ' A' ' 42' ' ' VAL . 79.6 m-85 -137.07 133.55 35.55 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.75 -0.659 . . . . 4.85 109.287 174.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.494 ' HA ' ' HA ' ' A' ' 41' ' ' GLU . 27.8 ptt180 -82.51 145.06 29.99 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.32 -0.552 . . . . 5.38 109.878 179.318 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.437 ' OE1' ' HE3' ' B' ' 88' ' ' LYS . 86.8 mm-40 -120.12 154.46 34.68 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.001 -0.545 . . . . 5.18 111.536 -172.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -122.82 151.35 41.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.579 -0.737 . . . . 2.96 109.378 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -122.71 123.23 40.63 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.995 -0.372 . . . . 1.28 109.995 176.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -85.1 103.16 13.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.982 0.42 . . . . 4.41 110.388 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -100.91 162.78 12.66 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.411 0.624 . . . . 1.49 110.123 175.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.568 ' HB ' ' C ' ' A' ' 106' ' ' THR . 50.7 m -140.89 100.44 3.83 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 107.687 -1.227 . . . . 1.56 107.687 169.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -101.71 147.36 26.55 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.1 -0.954 . . . . 2.93 109.74 -165.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.86 116.05 21.34 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.317 0.579 . . . . 1.77 110.54 -173.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -75.93 -34.52 59.89 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.411 -0.813 . . . . 3.84 110.296 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -135.62 113.61 11.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.798 -0.637 . . . . 2.96 110.853 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.9 t -69.88 -24.65 63.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.079 -0.51 . . . . 3.02 110.032 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -147.79 87.92 5.74 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.64 -0.709 . . . . 2.59 109.58 174.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.422 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 52.9 Cg_exo -53.46 -38.41 83.09 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.069 2.513 . . . . 2.81 112.876 -177.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.8 m -118.09 154.92 20.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.734 -0.469 . . . . 2.53 109.734 178.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 66' ' ' SER . 36.4 tt0 -81.2 70.92 8.15 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.992 0.425 . . . . 4.19 111.072 -173.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.429 ' HB2' ' O ' ' A' ' 65' ' ' GLU . 4.9 t 175.75 -39.29 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.362 -0.835 . . . . 4.07 109.043 178.19 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -169.72 -118.4 0.45 Allowed Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.447 -0.797 . . . . 2.7 111.161 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 14' ' ' VAL . 24.7 p -126.48 -178.6 4.41 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.408 -0.59 . . . . 1.76 109.408 174.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -72.19 132.37 44.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.74 0.305 . . . . 4.4 111.055 -175.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.38 -42.76 2.19 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.891 -0.671 . . . . 1.61 113.693 173.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.3 mm -59.9 132.97 25.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 112.209 0.448 . . . . 2.04 112.209 -175.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -71.44 99.76 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.864 -0.607 . . . . 3.32 109.416 172.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.688 ' HA ' ' O ' ' A' ' 76' ' ' TRP . 5.2 t -77.76 -4.29 45.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.911 -0.586 . . . . 4.99 111.037 -174.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -66.3 -40.74 90.2 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.421 0.629 . . . . 3.32 109.534 174.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -96.82 -38.36 9.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.657 -0.702 . . . . 4.16 110.951 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.688 ' O ' ' HA ' ' A' ' 73' ' ' SER . 87.9 m95 -118.52 134.19 55.28 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.189 0.519 . . . . 3.71 112.032 -171.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -95.38 134.74 37.84 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.803 -1.184 . . . . 3.0 107.803 169.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.673 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 3.7 m -125.64 147.8 49.2 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.362 -0.535 . . . . 2.16 112.179 -170.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -151.21 147.82 27.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.338 -0.846 . . . . 4.07 108.95 170.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.619 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 35.4 m -94.45 130.71 40.71 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.155 -0.475 . . . . 1.67 111.082 -174.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.0 m -126.97 135.3 50.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.902 -0.59 . . . . 2.49 109.716 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.423 ' HB ' ' HB3' ' A' ' 105' ' ' ASP . 21.1 p -79.54 134.21 36.48 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 121.21 0.529 . . . . 3.09 111.809 -177.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.6 m -92.14 124.53 36.29 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.547 -0.751 . . . . 3.17 109.136 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.419 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 2.3 p-80 -119.67 136.26 54.48 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.08 0.467 . . . . 4.4 111.47 -176.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.565 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 14.6 t -111.85 164.27 13.27 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.43 -0.804 . . . . 1.61 109.402 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -103.27 116.78 33.11 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.917 0.389 . . . . 2.52 109.973 -177.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.9 m -109.83 152.74 11.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.999 -0.546 . . . . 1.59 111.046 -176.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.426 ' HE3' ' OE1' ' B' ' 51' ' ' GLN . 42.8 mttp -86.26 109.56 19.02 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.452 -0.794 . . . . 4.22 110.197 -177.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.5 139.1 52.5 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.114 -0.494 . . . . 1.57 110.945 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 35.6 tp -75.35 114.74 14.23 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.233 -0.654 . . . . 1.87 109.233 176.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 77.5 p -122.37 166.7 14.29 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.048 -0.523 . . . . 1.44 110.56 -175.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.1 t -123.27 110.54 15.34 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.444 0.64 . . . . 1.63 110.049 176.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -77.41 -45.77 24.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.775 -0.648 . . . . 2.47 110.234 -178.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -125.32 -76.05 0.59 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.252 -0.431 . . . . 3.09 110.784 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -123.07 -48.6 1.99 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.865 0.364 . . . . 3.75 111.107 -177.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -78.34 177.03 8.77 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.118 -0.492 . . . . 3.02 110.869 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -122.07 132.41 54.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.095 -0.502 . . . . 1.8 110.848 -177.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -141.78 146.74 36.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.917 -0.583 . . . . 1.79 110.37 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 17.2 m-90 -74.73 119.34 18.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.147 -0.479 . . . . 2.88 111.276 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -110.17 169.5 8.69 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.628 -0.715 . . . . 3.92 109.789 176.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.415 ' O ' ' HA ' ' A' ' 30' ' ' ASP . 27.3 m-85 -111.32 101.95 10.38 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.316 -0.994 . . . . 2.74 108.316 179.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 37.8 pt -111.5 142.91 22.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.079 0.466 . . . . 1.33 111.062 -168.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.565 ' HA ' ' O ' ' A' ' 85' ' ' THR . 35.9 ptt180 -83.82 125.45 31.96 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.79 -0.641 . . . . 4.27 111.395 -174.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 84' ' ' HIS . 42.8 pt -121.88 134.25 65.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.723 -0.672 . . . . 1.36 109.668 173.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.423 ' HB3' ' HB ' ' A' ' 82' ' ' THR . 17.6 m-20 -80.09 113.44 18.26 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.371 -0.603 . . . . 1.69 109.371 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.568 ' C ' ' HB ' ' A' ' 56' ' ' THR . 7.4 t -123.08 22.72 9.46 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.096 0.474 . . . . 2.66 111.048 -171.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.42 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -174.76 156.24 2.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.006 -0.543 . . . . 1.64 109.982 176.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.619 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 48.5 t -130.71 113.47 14.19 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.227 -0.657 . . . . 1.59 109.227 172.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.0 m -106.46 145.91 13.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.959 -0.564 . . . . 1.52 110.866 -174.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.673 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 42.7 t -92.74 116.28 28.88 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.328 -0.619 . . . . 1.45 109.328 177.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.2 m -98.14 152.41 4.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 110.0 -0.371 . . . . 2.0 110.0 -179.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 62.7 mt -112.35 139.79 47.61 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.238 0.542 . . . . 1.86 111.716 -174.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 38.0 t -121.44 140.23 52.43 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.869 -0.789 . . . . 3.01 108.869 172.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -79.05 9.28 4.53 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.944 0.402 . . . . 7.46 110.898 -176.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 28.2 mtmm 67.32 42.18 2.3 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.695 -0.684 . . . . 4.91 109.786 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -135.42 153.07 51.91 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.766 -0.652 . . . . 4.73 110.517 -177.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.3 p -130.49 164.63 24.39 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.072 -0.513 . . . . 6.02 110.359 177.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.634 ' HD3' ' OXT' ' A' ' 118' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.258 -0.877 . . . . 9.37 111.303 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 N--CA 1.473 0.713 0 CA-C-O 120.924 0.392 . . . . 14.21 110.423 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 13.0 p -124.04 -70.29 0.77 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.342 -0.39 . . . . 12.86 110.851 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 7.3 p -78.18 110.64 13.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.202 -0.454 . . . . 11.6 111.282 -177.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 53.8 p-80 -147.46 117.35 4.39 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.072 -0.513 . . . . 10.95 110.395 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -84.98 59.12 5.39 Favored 'Trans proline' 0 C--O 1.236 0.419 0 C-N-CA 122.662 2.242 . . . . 8.15 112.045 179.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 18.7 t 56.35 59.48 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.17 0 N-CA-C 109.004 -0.739 . . . . 7.04 109.004 -174.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 58.32 -99.47 0.1 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-N 114.974 -1.012 . . . . 7.83 110.055 -171.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -145.87 8.24 1.11 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.281 -1.007 . . . . 8.41 108.281 172.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 23.4 ptp 40.15 43.62 1.38 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 114.164 -1.38 . . . . 5.62 111.428 -171.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -142.29 -11.77 0.46 Allowed Glycine 0 N--CA 1.453 -0.232 0 CA-C-N 115.216 -0.902 . . . . 4.39 111.74 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.95 11.06 40.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.211 0.529 . . . . 4.62 110.42 176.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -85.03 70.96 10.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.805 -0.634 . . . . 4.01 109.306 175.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 12.3 p -74.83 133.71 41.85 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.068 -0.969 . . . . 2.58 110.445 -178.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.413 ' O ' ' HB2' ' B' ' 68' ' ' CYS . 28.0 m -59.76 -24.32 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 115.837 -0.62 . . . . 1.81 110.936 177.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.566 ' SG ' ' HB2' ' B' ' 110' ' ' CYS . 62.6 m -128.87 119.0 23.65 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.323 -0.853 . . . . 1.75 109.236 175.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -55.05 117.85 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.833 0.349 . . . . 2.87 110.734 -178.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 31.7 m -126.45 149.72 49.13 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.206 -0.452 . . . . 1.91 110.518 -177.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.531 ' O ' ' HA ' ' B' ' 56' ' ' THR . 7.1 p -122.27 131.65 72.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.815 0.341 . . . . 1.88 111.057 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 28.6 m -91.1 124.01 35.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.843 0.354 . . . . 1.95 110.223 178.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 42.7 t -125.57 138.62 53.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.277 -0.419 . . . . 1.55 110.851 -175.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -103.56 96.29 6.63 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.032 -0.729 . . . . 1.86 109.032 172.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 47.1 t -84.5 108.96 17.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.776 -0.647 . . . . 1.41 110.642 -176.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.24 19.07 55.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.688 -0.768 . . . . 1.36 112.062 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -174.13 84.8 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.557 -0.534 . . . . 3.01 109.557 -179.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -89.78 -17.24 28.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.441 -0.345 . . . . 1.64 111.307 -176.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 68.2 p 63.54 -54.36 0.21 Allowed 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.968 1.307 . . . . 2.11 113.631 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.3 p -134.0 143.92 48.42 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.004 0.431 . . . . 1.53 111.158 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.81 156.59 40.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.073 -0.512 . . . . 1.29 110.719 177.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 46.0 m -100.17 120.53 40.02 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.026 -0.534 . . . . 1.52 111.205 -176.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . 0.422 ' OD1' ' HG3' ' B' ' 32' ' ' LYS . 20.8 t70 -71.64 164.2 26.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.169 -0.923 . . . . 1.84 110.228 178.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 14.3 tt -57.7 -23.4 20.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 C-N-CA 122.96 0.504 . . . . 1.74 111.768 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.422 ' HG3' ' OD1' ' B' ' 30' ' ' ASP . 36.1 mttp -81.52 -3.85 54.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.941 0.4 . . . . 2.65 110.958 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.47 17.45 57.02 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 121.091 -0.575 . . . . 1.25 111.841 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -93.49 131.79 38.38 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.627 0.251 . . . . 2.58 110.851 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -87.34 114.62 24.12 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.788 -0.819 . . . . 2.19 108.788 176.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 27.5 m -122.7 157.18 27.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.106 0.479 . . . . 1.48 111.682 -174.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 20.1 m -83.97 117.85 23.64 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.344 -0.843 . . . . 1.5 110.22 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 94.2 t -87.19 130.62 36.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.912 -0.585 . . . . 1.55 110.513 -177.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 84.2 mt -88.34 113.61 24.12 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.532 -0.544 . . . . 1.91 109.532 177.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.17 -31.16 72.2 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.441 0.639 . . . . 2.34 109.718 178.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.48 ' HA ' ' HA ' ' B' ' 50' ' ' ARG . 36.7 mt-10 -115.67 115.22 26.01 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.946 -1.025 . . . . 3.59 108.934 174.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.493 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 26.0 m -92.94 139.07 18.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.179 0.514 . . . . 2.85 111.201 -173.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -100.98 99.65 10.15 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.413 -0.812 . . . . 3.25 109.753 178.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 52.3 mt -106.91 87.64 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.35 -0.386 . . . . 2.98 110.05 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 60.32 63.91 1.31 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.517 -0.765 . . . . 3.91 110.443 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 13.5 m120 64.0 20.6 12.27 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.214 -0.903 . . . . 5.31 111.565 175.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 23.7 t -129.22 118.29 22.12 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.337 -0.616 . . . . 3.54 109.337 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 39.1 t -100.95 131.04 49.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.273 -0.422 . . . . 2.78 111.497 -174.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -137.36 134.04 35.54 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.326 -0.62 . . . . 4.84 109.326 174.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.48 ' HA ' ' HA ' ' B' ' 41' ' ' GLU . 27.6 ptt180 -82.7 145.07 29.8 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.276 -0.57 . . . . 5.38 109.86 179.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . 0.426 ' OE1' ' HE3' ' A' ' 88' ' ' LYS . 86.5 mm-40 -120.2 154.95 34.11 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.934 -0.576 . . . . 5.18 111.453 -172.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -123.14 151.36 42.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.551 -0.749 . . . . 2.96 109.314 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -122.87 123.21 40.46 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 110.077 -0.342 . . . . 1.28 110.077 176.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -85.06 103.05 13.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.966 0.413 . . . . 4.41 110.379 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -100.73 162.65 12.77 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.436 0.636 . . . . 1.49 110.093 175.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.568 ' HB ' ' C ' ' B' ' 106' ' ' THR . 50.8 m -140.93 100.23 3.78 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 107.707 -1.22 . . . . 1.57 107.707 169.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -101.38 147.28 26.52 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.935 -1.029 . . . . 2.93 109.822 -165.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.78 115.94 21.24 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.111 0.481 . . . . 1.77 110.577 -173.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -75.92 -34.79 59.93 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.498 -0.774 . . . . 3.85 110.176 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -135.33 113.45 11.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.869 -0.605 . . . . 2.96 110.899 -178.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 22.8 t -69.98 -24.37 63.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 3.01 110.066 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -147.96 88.26 5.59 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.426 -0.806 . . . . 2.59 109.367 174.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . 0.411 ' HG2' ' O ' ' B' ' 14' ' ' VAL . 51.1 Cg_exo -53.57 -38.57 83.89 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.043 2.495 . . . . 2.81 113.05 -178.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 31.3 m -118.09 154.51 20.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.837 -0.431 . . . . 2.53 109.837 178.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' B' ' 66' ' ' SER . 35.9 tt0 -80.85 71.07 7.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.908 0.385 . . . . 4.2 111.172 -173.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' SER . . . . . 0.437 ' HB2' ' O ' ' B' ' 65' ' ' GLU . 4.8 t 175.64 -39.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.453 -0.794 . . . . 4.07 109.094 178.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -170.18 -118.53 0.46 Allowed Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.994 -0.842 . . . . 2.7 110.994 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.413 ' HB2' ' O ' ' B' ' 14' ' ' VAL . 24.7 p -126.27 -178.4 4.31 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.401 -0.592 . . . . 1.76 109.401 174.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -72.36 132.17 43.61 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 121.08 -0.248 . . . . 4.4 111.094 -175.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.98 -43.09 2.07 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 121.019 -0.61 . . . . 1.61 113.427 172.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 47.3 mm -59.89 132.71 25.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.029 0.442 . . . . 2.04 112.187 -175.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -71.14 99.39 1.86 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.688 -0.687 . . . . 3.32 109.475 172.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' SER . . . . . 0.681 ' HA ' ' O ' ' B' ' 76' ' ' TRP . 5.3 t -77.36 -4.39 44.92 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.049 -0.523 . . . . 4.99 110.954 -174.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -66.28 -41.03 90.43 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.383 -0.599 . . . . 3.33 109.383 174.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -96.62 -38.41 9.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.749 -0.659 . . . . 4.16 110.926 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' TRP . . . . . 0.681 ' O ' ' HA ' ' B' ' 73' ' ' SER . 87.5 m95 -118.26 134.23 55.21 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.126 0.489 . . . . 3.7 112.023 -171.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -95.2 134.78 37.56 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 107.827 -1.175 . . . . 3.0 107.827 169.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.677 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 3.7 m -125.81 147.48 49.41 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.32 -0.552 . . . . 2.16 112.121 -170.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -150.96 147.94 27.78 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.304 -0.862 . . . . 4.07 108.838 170.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . 0.628 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 35.2 m -94.49 130.62 40.8 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.019 -0.537 . . . . 1.67 111.041 -174.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 59.3 m -126.81 134.97 50.44 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.757 -0.656 . . . . 2.49 109.792 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.428 ' HA ' ' HA ' ' B' ' 108' ' ' CYS . 21.4 p -79.31 134.05 36.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.156 0.503 . . . . 3.09 111.823 -177.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 5.8 m -92.06 124.33 36.08 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.547 -0.751 . . . . 3.17 109.187 176.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' HIS . . . . . 0.428 ' HA ' ' O ' ' B' ' 104' ' ' ILE . 2.2 p-80 -119.67 136.03 54.57 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.915 0.388 . . . . 4.39 111.217 -176.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' THR . . . . . 0.567 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 14.7 t -111.76 164.28 13.22 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.508 -0.769 . . . . 1.61 109.297 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -103.31 116.61 32.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.098 0.475 . . . . 2.52 110.171 -177.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 27.1 m -109.87 152.77 11.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.835 -0.62 . . . . 1.59 110.855 -176.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . 0.437 ' HE3' ' OE1' ' A' ' 51' ' ' GLN . 42.8 mttp -86.47 109.42 19.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.398 -0.819 . . . . 4.22 110.173 -177.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.36 139.01 52.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.072 -0.513 . . . . 1.57 111.029 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 35.1 tp -75.31 114.65 14.08 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.285 -0.635 . . . . 1.87 109.285 176.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 79.3 p -122.23 166.98 13.76 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.901 -0.591 . . . . 1.44 110.612 -175.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 6.8 t -123.68 110.99 15.66 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.46 0.648 . . . . 1.63 109.954 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -78.0 -45.15 24.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.666 -0.697 . . . . 2.46 110.325 -178.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -125.74 -75.79 0.59 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.26 -0.427 . . . . 3.09 110.946 177.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -123.23 -49.32 1.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.953 0.406 . . . . 3.76 111.138 -178.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -77.66 176.67 8.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.169 -0.468 . . . . 3.02 110.94 -178.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -121.78 133.1 54.91 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.288 -0.414 . . . . 1.8 110.899 -177.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.24 146.63 35.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.888 -0.596 . . . . 1.79 110.259 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 17.2 m-90 -74.64 119.63 19.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.109 0.48 . . . . 2.87 111.267 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -110.34 169.54 8.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.57 -0.741 . . . . 3.93 109.894 176.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.407 ' O ' ' HA ' ' B' ' 30' ' ' ASP . 27.7 m-85 -111.34 101.89 10.32 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.354 -0.98 . . . . 2.75 108.354 179.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 36.7 pt -111.55 142.93 22.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.07 0.462 . . . . 1.33 111.103 -168.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.567 ' HA ' ' O ' ' B' ' 85' ' ' THR . 35.8 ptt180 -83.66 125.52 31.93 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.802 -0.635 . . . . 4.28 111.353 -174.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' ILE . . . . . 0.428 ' O ' ' HA ' ' B' ' 84' ' ' HIS . 42.9 pt -121.91 134.22 65.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.813 -0.63 . . . . 1.36 109.857 172.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . 0.413 ' HB3' ' HB ' ' B' ' 82' ' ' THR . 16.1 m-20 -80.16 113.47 18.35 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.298 -0.631 . . . . 1.69 109.298 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' THR . . . . . 0.568 ' C ' ' HB ' ' B' ' 56' ' ' THR . 7.0 t -123.06 22.85 9.44 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.292 -0.413 . . . . 2.65 111.014 -171.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . 0.417 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -175.16 156.16 2.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.016 -0.538 . . . . 1.64 109.96 176.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . 0.628 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 48.5 t -130.67 113.4 14.13 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.191 -0.67 . . . . 1.6 109.191 172.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 29.7 m -106.43 145.75 13.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.068 -0.514 . . . . 1.53 110.924 -174.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . 0.677 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 42.8 t -92.55 116.44 29.0 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.212 -0.662 . . . . 1.45 109.212 177.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 18.1 m -98.22 152.38 4.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.993 -0.373 . . . . 2.0 109.993 -179.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 62.7 mt -112.3 139.73 47.61 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.278 0.561 . . . . 1.86 111.711 -174.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 38.6 t -121.38 140.53 52.0 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.793 -0.817 . . . . 3.01 108.793 172.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -79.12 8.97 4.91 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.092 0.472 . . . . 7.45 110.84 -176.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 28.1 mtmm 67.56 41.97 2.2 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.867 -0.606 . . . . 4.91 109.726 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -135.6 152.65 51.46 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.589 -0.732 . . . . 4.74 110.515 -177.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 4.7 p -130.06 164.81 23.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.929 -0.578 . . . . 6.02 110.223 178.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' ARG . . . . . 0.63 ' HD3' ' OXT' ' B' ' 118' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.371 -0.823 . . . . 9.38 111.188 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.5 p . . . . . 0 N--CA 1.477 0.888 0 CA-C-O 121.237 0.541 . . . . 14.21 110.84 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 m -147.25 -54.39 0.23 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.944 -0.571 . . . . 12.85 109.766 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.2 p -85.29 84.68 7.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.729 -0.669 . . . . 11.6 110.212 176.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -129.54 71.03 82.14 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.846 -0.616 . . . . 10.94 110.25 -175.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -85.33 71.7 4.72 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.834 2.356 . . . . 8.15 112.077 -178.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.5 t 63.08 74.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.419 -0.81 . . . . 7.04 110.264 -176.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -107.29 -15.63 14.6 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.872 -0.604 . . . . 7.84 110.212 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -81.57 61.91 5.2 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.948 -0.76 . . . . 8.41 108.948 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 34.1 ttm 177.52 -32.31 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.555 -1.202 . . . . 5.62 108.31 -174.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.49 177.17 15.47 Favored Glycine 0 N--CA 1.442 -0.948 0 CA-C-N 114.728 -1.124 . . . . 4.39 110.581 -176.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -84.41 31.04 0.52 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 117.189 0.494 . . . . 4.63 110.863 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 64.17 169.49 0.17 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.305 -0.861 . . . . 4.02 112.359 178.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.8 t -172.45 152.22 2.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.426 -0.806 . . . . 2.58 109.439 175.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -79.57 -6.09 9.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.291 0.567 . . . . 1.8 110.749 178.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.7 t -129.59 152.41 49.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.283 -0.872 . . . . 1.75 109.088 178.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.491 ' HB3' ' O ' ' A' ' 59' ' ' ARG . 6.3 t0 -73.48 115.21 12.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.326 0.584 . . . . 2.87 109.763 -176.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.4 m -112.53 134.71 53.91 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.75 -0.659 . . . . 1.91 110.693 -175.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.567 ' O ' ' HA ' ' A' ' 56' ' ' THR . 4.5 p -109.86 115.35 49.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.951 0.405 . . . . 1.88 110.669 178.226 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.9 m -97.07 119.29 35.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.086 -0.507 . . . . 1.95 110.533 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.1 t -119.82 138.07 51.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.145 -0.479 . . . . 1.55 110.365 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -97.36 95.61 7.8 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.874 -0.787 . . . . 1.86 108.874 173.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 49.0 t -87.38 112.86 23.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.86 -0.609 . . . . 1.41 110.297 -175.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.89 -12.38 64.02 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.359 -0.924 . . . . 1.36 112.486 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -141.18 72.53 1.39 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.766 0.317 . . . . 3.02 111.12 -178.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.497 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 58.6 tttp -74.66 127.51 33.3 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.998 -0.741 . . . . 1.64 108.998 174.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 t -83.49 -42.28 17.07 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.295 0.48 . . . . 2.12 112.295 -171.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.0 p -141.16 147.8 39.01 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.644 0.259 . . . . 1.54 111.007 -177.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -153.61 162.73 40.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.014 -0.539 . . . . 1.29 110.54 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.427 ' HB ' ' HE ' ' A' ' 103' ' ' ARG . 6.9 m -100.08 119.87 38.97 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.871 -0.604 . . . . 1.53 110.514 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.411 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 10.5 t70 -69.34 157.93 36.05 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.938 -0.764 . . . . 1.85 108.938 174.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.7 tt -58.9 -16.89 10.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 123.167 0.587 . . . . 1.74 111.908 -177.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -84.04 2.03 41.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.929 0.395 . . . . 2.65 110.867 177.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.55 24.38 50.59 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.127 -0.558 . . . . 1.25 112.232 177.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -107.89 128.43 54.61 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.686 0.279 . . . . 2.58 110.934 -178.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -88.87 115.56 26.5 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.531 -0.544 . . . . 2.19 109.531 177.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.5 m -130.3 161.24 40.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.128 0.489 . . . . 1.48 111.666 -175.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 29.2 m -82.75 121.58 27.07 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.334 -0.848 . . . . 1.5 110.367 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.497 ' HB ' ' O ' ' A' ' 25' ' ' LYS . 60.5 t -87.68 135.83 24.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.059 -0.518 . . . . 1.55 111.088 -174.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 74.3 mt -105.06 127.34 52.84 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.214 -0.661 . . . . 1.91 109.214 175.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.22 -23.68 63.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.235 0.541 . . . . 2.35 110.476 179.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.447 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 5.6 mm-40 -105.17 115.9 31.05 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.907 -1.042 . . . . 3.59 109.594 -177.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.44 HG21 ' O ' ' A' ' 49' ' ' PHE . 28.3 m -92.59 99.88 10.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 122.038 0.923 . . . . 2.85 110.534 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -78.12 99.66 6.26 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.886 -1.052 . . . . 3.25 109.646 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.474 HG22 ' OD1' ' A' ' 45' ' ' ASN . 65.3 mt -77.43 -71.85 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.738 -0.467 . . . . 2.98 109.738 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.474 ' OD1' HG22 ' A' ' 44' ' ' ILE . 11.6 m120 -135.6 -65.15 0.61 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.833 -0.803 . . . . 3.91 108.833 172.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -124.54 -17.01 6.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.243 -0.889 . . . . 5.31 110.052 177.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.4 m -97.22 127.77 43.5 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.947 -0.57 . . . . 3.53 110.17 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.447 ' CG1' ' HB3' ' A' ' 41' ' ' GLU . 43.7 t -116.38 123.14 71.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.953 -0.567 . . . . 2.78 110.151 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.44 ' O ' HG21 ' A' ' 42' ' ' VAL . 96.6 m-85 -120.7 160.95 22.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.583 -0.28 . . . . 4.85 110.602 -178.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.44 ' HB3' ' OE1' ' A' ' 41' ' ' GLU . 5.8 ptp180 -141.11 165.78 26.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.394 -0.366 . . . . 5.38 110.291 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -150.19 163.17 38.93 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.014 -0.735 . . . . 5.18 109.014 175.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -105.11 124.95 50.41 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.012 -0.736 . . . . 2.96 109.012 176.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -78.23 125.05 28.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.334 -0.393 . . . . 1.28 110.508 -176.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -84.94 94.26 8.74 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.842 -0.617 . . . . 4.41 109.798 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.767 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 26.7 mt-10 -104.29 104.62 14.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.15 -0.477 . . . . 1.49 110.737 -178.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.567 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 48.4 m -100.67 113.98 27.3 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.83 -0.433 . . . . 1.56 109.83 174.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -117.24 163.85 15.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.021 -0.536 . . . . 2.93 111.09 -172.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 84.4 m -85.44 112.23 20.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.708 -0.678 . . . . 1.77 111.262 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.491 ' O ' ' HB3' ' A' ' 16' ' ' ASP . 22.9 ptt180 -113.77 129.44 56.58 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.086 -0.709 . . . . 3.84 109.086 173.387 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 60.36 78.68 0.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.188 0.518 . . . . 2.96 109.962 -174.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.7 t -66.36 -11.63 52.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.594 -0.73 . . . . 3.02 111.401 -176.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.449 ' ND2' ' HA2' ' A' ' 67' ' ' GLY . 14.0 m120 -127.67 76.17 77.29 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 116.566 -0.288 . . . . 2.59 110.228 177.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -57.46 -31.69 92.05 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 122.292 1.995 . . . . 2.81 111.195 176.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.3 m -116.4 158.61 16.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.273 -0.876 . . . . 2.53 108.826 172.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -79.63 60.32 3.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.197 0.522 . . . . 4.19 110.614 -175.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.7 m -163.79 -45.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.312 -0.858 . . . . 4.07 109.356 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.449 ' HA2' ' ND2' ' A' ' 62' ' ' ASN . . . 166.74 -123.71 1.16 Allowed Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.691 -0.964 . . . . 2.7 110.691 -179.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 82.9 m -81.05 162.15 23.89 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.902 -0.407 . . . . 1.76 109.902 174.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 -78.2 135.63 37.65 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.703 0.287 . . . . 4.4 110.318 -177.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 103.17 -35.63 4.88 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 121.02 -0.609 . . . . 1.61 112.105 178.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 33.6 mm -63.17 122.82 14.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 110.306 -0.257 . . . . 2.04 110.306 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -61.87 -23.99 66.64 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.153 -0.476 . . . . 3.32 111.352 -178.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.512 ' HA ' ' O ' ' A' ' 76' ' ' TRP . 19.7 m 65.7 11.3 7.44 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.702 -0.681 . . . . 4.99 112.297 172.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -106.05 -36.02 7.07 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.422 -0.585 . . . . 3.32 109.422 175.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -91.74 -24.45 19.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.683 -0.689 . . . . 4.16 110.035 176.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.533 ' CE3' ' HB3' ' A' ' 112' ' ' LEU . 97.7 m95 -134.89 140.22 45.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.714 -0.676 . . . . 3.71 111.884 -172.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.457 ' HB3' ' OG ' ' A' ' 113' ' ' SER . 8.4 t30 -97.38 135.43 39.29 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.971 -1.122 . . . . 3.0 107.971 168.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.0 t -131.34 135.86 47.61 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.181 0.515 . . . . 2.16 112.369 -167.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.434 ' CZ ' HG23 ' A' ' 111' ' ' VAL . 42.5 p90 -156.83 166.93 31.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.321 -0.854 . . . . 4.07 108.806 170.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.514 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 12.9 m -105.32 140.86 37.81 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.851 0.358 . . . . 1.67 111.62 -170.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.486 ' O ' HG22 ' A' ' 109' ' ' VAL . 50.6 m -132.18 136.04 46.77 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.998 -0.546 . . . . 2.49 109.697 178.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.8 m -87.81 127.7 35.33 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.746 0.308 . . . . 3.09 111.028 -177.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.3 t -91.27 167.19 12.49 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.135 -0.32 . . . . 3.17 110.135 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -138.97 143.97 38.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.901 0.382 . . . . 4.4 111.552 -170.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.646 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 7.9 t -116.2 171.07 8.05 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.17 -0.678 . . . . 1.61 109.17 174.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.463 ' HA ' ' O ' ' A' ' 102' ' ' ILE . 97.4 m-85 -117.46 115.86 26.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.081 0.467 . . . . 2.52 110.573 -178.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.432 HG12 HG12 ' B' ' 87' ' ' VAL . 26.6 m -112.91 149.07 15.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.749 -0.66 . . . . 1.59 111.065 -176.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -75.19 110.9 9.91 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.319 -0.401 . . . . 4.22 110.031 176.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.78 139.91 51.97 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.293 -0.412 . . . . 1.57 110.646 178.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 26.0 tp -78.1 125.04 28.77 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.345 -0.983 . . . . 1.87 108.345 173.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 97' ' ' ALA . 66.5 p -124.0 153.83 40.72 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.972 -0.291 . . . . 1.44 110.749 -175.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.8 t -114.12 109.89 19.14 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.695 0.76 . . . . 1.63 109.804 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -74.27 -51.51 15.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.346 -0.843 . . . . 2.47 110.711 -175.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -136.89 -72.85 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.265 -0.425 . . . . 3.09 110.516 176.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -127.91 7.41 6.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.728 0.299 . . . . 3.75 111.273 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -130.02 154.18 47.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.875 0.369 . . . . 3.02 110.687 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -108.2 128.83 55.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.747 -0.661 . . . . 1.8 110.505 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -135.9 148.11 48.44 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.333 -0.394 . . . . 1.79 110.639 -178.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -75.72 124.97 28.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.103 -0.499 . . . . 2.88 110.85 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 100' ' ' ARG . 54.9 mmt-85 -126.92 164.37 21.59 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.943 -0.571 . . . . 3.92 110.729 178.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 30' ' ' ASP . 30.6 m-85 -110.37 106.09 15.32 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.691 -1.225 . . . . 2.74 107.691 176.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.463 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 39.0 pt -111.49 144.55 19.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.311 0.577 . . . . 1.33 111.619 -168.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.646 ' HA ' ' O ' ' A' ' 85' ' ' THR . 28.6 ptt180 -79.48 123.42 27.54 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 114.923 -1.035 . . . . 4.27 110.507 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 44.9 pt -121.97 143.03 35.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 109.692 -0.484 . . . . 1.36 109.692 173.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.767 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 37.9 m-20 -62.56 126.66 28.09 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.286 -0.635 . . . . 1.69 109.286 178.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.552 ' O ' ' HB ' ' A' ' 56' ' ' THR . 3.5 m -116.26 -36.43 4.05 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 112.781 0.659 . . . . 2.66 112.781 -172.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -156.47 158.63 37.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.771 0.319 . . . . 1.64 110.974 -176.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.514 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 51.7 t -105.64 117.47 34.11 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.091 -0.504 . . . . 1.59 109.652 177.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 81' ' ' THR . 12.0 m -104.91 158.89 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.313 -0.403 . . . . 1.52 110.088 -178.338 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 42.7 t -110.16 125.22 52.8 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.806 -0.442 . . . . 1.45 109.806 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.434 HG23 ' CZ ' ' A' ' 79' ' ' TYR . 2.9 m -92.39 154.21 3.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.351 -0.386 . . . . 2.0 110.304 -178.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.533 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . 96.8 mt -125.76 138.41 53.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.192 0.52 . . . . 1.86 110.383 175.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.475 ' O ' ' HA ' ' A' ' 76' ' ' TRP . 2.2 p -137.1 170.19 16.51 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.653 -0.703 . . . . 3.01 109.644 176.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -88.5 10.52 19.99 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.423 0.527 . . . . 7.46 112.423 -173.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.427 ' HG2' ' HB2' ' A' ' 77' ' ' ASN . 56.3 mtpt 68.17 32.63 4.75 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 109.631 -0.507 . . . . 4.91 109.631 -178.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 179.67 -52.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.77 -1.105 . . . . 4.73 108.935 -178.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.1 p -115.58 174.02 6.23 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.281 -0.872 . . . . 6.02 110.07 175.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.407 ' HD2' ' N ' ' A' ' 118' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.733 -0.651 . . . . 9.37 110.169 179.039 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.5 p . . . . . 0 N--CA 1.476 0.867 0 CA-C-O 121.221 0.534 . . . . 14.21 110.977 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.7 m -147.62 -54.09 0.21 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.916 -0.584 . . . . 12.86 109.981 178.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 2.9 p -85.69 84.74 7.5 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.615 -0.721 . . . . 11.6 110.041 176.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -129.82 70.85 82.18 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.806 -0.634 . . . . 10.95 110.216 -175.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -85.16 72.73 4.45 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.816 2.344 . . . . 8.15 111.801 -178.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 33.5 t 62.25 74.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.358 -0.837 . . . . 7.04 110.313 -176.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -107.42 -15.1 14.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.913 -0.585 . . . . 7.83 110.188 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -82.02 61.46 5.32 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.06 -0.718 . . . . 8.41 109.06 177.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 34.2 ttm 177.85 -32.18 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.426 -1.261 . . . . 5.62 108.245 -174.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.4 177.54 15.59 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 114.832 -1.076 . . . . 4.39 110.526 -176.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -84.86 31.28 0.54 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 117.23 0.515 . . . . 4.62 110.736 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 64.17 169.66 0.17 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.345 -0.843 . . . . 4.01 112.278 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 33.4 t -172.71 151.99 2.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.45 -0.795 . . . . 2.58 109.413 176.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -79.54 -5.99 8.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.236 0.541 . . . . 1.81 110.727 178.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 49.8 t -129.55 152.33 49.19 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.295 -0.866 . . . . 1.75 109.144 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . 0.488 ' HB3' ' O ' ' B' ' 59' ' ' ARG . 6.3 t0 -73.47 115.32 12.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.363 0.602 . . . . 2.87 109.765 -176.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 18.1 m -112.6 134.64 54.02 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.778 -0.646 . . . . 1.91 110.602 -175.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.562 ' O ' ' HA ' ' B' ' 56' ' ' THR . 4.6 p -109.99 115.45 49.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.916 0.388 . . . . 1.88 110.699 178.066 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.1 m -97.14 118.84 34.47 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.985 -0.552 . . . . 1.95 110.712 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 46.6 t -119.55 138.24 50.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.222 -0.445 . . . . 1.55 110.271 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -97.52 95.83 7.9 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.721 -0.844 . . . . 1.86 108.721 173.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 48.5 t -87.41 112.83 23.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.823 -0.626 . . . . 1.41 110.382 -175.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.84 -12.22 64.39 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.235 -0.983 . . . . 1.36 112.457 -178.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -141.73 72.64 1.39 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.811 0.338 . . . . 3.01 111.13 -178.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.492 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 58.5 tttp -74.66 127.72 33.8 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.054 -0.721 . . . . 1.64 109.054 173.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 8.9 t -83.76 -42.36 16.61 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.164 0.431 . . . . 2.11 112.164 -171.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.0 p -141.07 147.66 38.94 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.693 0.282 . . . . 1.53 111.077 -177.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -153.34 162.92 40.78 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.952 -0.567 . . . . 1.29 110.603 176.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 6.7 m -100.31 119.88 39.08 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.898 -0.592 . . . . 1.52 110.514 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . 0.414 ' HA ' ' O ' ' B' ' 101' ' ' PHE . 10.3 t70 -69.43 157.94 36.11 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.094 -0.706 . . . . 1.84 109.094 174.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.5 tt -58.92 -16.56 9.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 123.056 0.543 . . . . 1.74 111.866 -177.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -84.43 2.24 41.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.894 0.378 . . . . 2.65 110.923 177.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.55 24.1 51.53 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 121.025 -0.607 . . . . 1.25 112.293 177.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -107.68 128.34 54.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.74 0.305 . . . . 2.58 111.053 -178.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -88.71 115.43 26.24 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.585 -0.524 . . . . 2.19 109.585 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 8.0 m -130.19 161.29 40.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.179 0.514 . . . . 1.48 111.644 -175.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 28.1 m -83.0 121.52 27.11 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.268 -0.878 . . . . 1.5 110.42 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.492 ' HB ' ' O ' ' B' ' 25' ' ' LYS . 61.0 t -87.75 135.57 25.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.066 -0.516 . . . . 1.55 111.225 -174.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 73.6 mt -104.88 127.13 52.59 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.258 -0.645 . . . . 1.91 109.258 175.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.11 -23.71 64.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.222 0.534 . . . . 2.34 110.398 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.45 ' HB3' ' CG1' ' B' ' 48' ' ' VAL . 5.5 mm-40 -105.18 115.92 31.08 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.029 -0.987 . . . . 3.59 109.658 -177.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.441 ' O ' HG23 ' B' ' 42' ' ' VAL . 28.3 m -92.58 99.92 10.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 122.001 0.905 . . . . 2.85 110.587 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -78.18 99.39 6.19 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.925 -1.034 . . . . 3.25 109.681 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.472 HG22 ' OD1' ' B' ' 45' ' ' ASN . 64.6 mt -76.98 -72.47 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.818 -0.438 . . . . 2.98 109.818 178.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . 0.472 ' OD1' HG22 ' B' ' 44' ' ' ILE . 11.8 m120 -135.0 -65.32 0.63 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.889 -0.782 . . . . 3.91 108.889 172.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -124.21 -17.16 6.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.174 -0.921 . . . . 5.31 109.927 177.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 16.5 m -97.0 127.5 43.03 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.932 -0.576 . . . . 3.54 110.185 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.45 ' CG1' ' HB3' ' B' ' 41' ' ' GLU . 43.6 t -116.49 122.86 70.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.057 -0.52 . . . . 2.78 110.192 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . 0.43 ' O ' HG21 ' B' ' 42' ' ' VAL . 96.7 m-85 -120.26 160.92 22.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.486 -0.325 . . . . 4.84 110.71 -178.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.439 ' HB3' ' OE1' ' B' ' 41' ' ' GLU . 5.8 ptp180 -141.13 165.65 26.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.287 -0.415 . . . . 5.38 110.354 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -149.9 163.22 38.64 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.017 -0.735 . . . . 5.18 109.017 174.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -105.15 125.24 50.77 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.114 -0.699 . . . . 2.96 109.114 175.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -78.41 124.95 28.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.326 -0.397 . . . . 1.28 110.552 -176.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -84.88 94.54 8.77 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.84 -0.618 . . . . 4.41 109.83 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . 0.759 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 26.5 mt-10 -104.51 104.5 14.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.199 -0.455 . . . . 1.49 110.851 -178.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.562 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 48.7 m -100.52 114.07 27.39 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.736 -0.468 . . . . 1.57 109.736 174.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -117.39 163.65 16.04 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.907 -0.588 . . . . 2.93 111.094 -172.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 83.6 m -85.2 112.53 20.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.711 -0.677 . . . . 1.77 111.157 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . 0.488 ' O ' ' HB3' ' B' ' 16' ' ' ASP . 23.0 ptt180 -114.07 129.77 56.6 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.068 -0.716 . . . . 3.85 109.068 173.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . 60.16 78.27 0.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.164 0.507 . . . . 2.96 110.084 -174.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 46.7 t -66.01 -11.48 48.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.695 -0.684 . . . . 3.01 111.567 -176.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . 0.449 ' ND2' ' HA2' ' B' ' 67' ' ' GLY . 14.3 m120 -127.9 76.31 77.57 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 110.093 -0.336 . . . . 2.59 110.093 177.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -57.34 -32.08 92.82 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 122.225 1.95 . . . . 2.81 111.113 176.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 17.4 m -116.22 158.83 16.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.215 -0.902 . . . . 2.53 108.827 172.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -79.8 59.86 3.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.454 0.645 . . . . 4.2 110.721 -174.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 19.8 m -163.33 -45.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.231 -0.895 . . . . 4.07 109.36 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.449 ' HA2' ' ND2' ' B' ' 62' ' ' ASN . . . 166.8 -123.67 1.16 Allowed Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 110.631 -0.988 . . . . 2.7 110.631 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 79.3 m -80.68 162.37 24.2 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.985 -0.376 . . . . 1.76 109.985 174.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 46.9 mtp180 -78.46 135.33 37.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.567 -0.288 . . . . 4.4 110.239 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 103.41 -36.19 4.51 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.918 -0.658 . . . . 1.61 112.087 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 33.8 mm -62.69 122.48 13.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 122.306 0.243 . . . . 2.04 110.394 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -61.42 -24.12 66.3 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.43 -0.35 . . . . 3.32 111.571 -178.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' SER . . . . . 0.495 ' HA ' ' O ' ' B' ' 76' ' ' TRP . 19.7 m 66.03 11.14 7.55 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.553 -0.749 . . . . 4.99 112.275 172.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -105.93 -36.01 7.12 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.509 -0.552 . . . . 3.33 109.509 175.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -91.76 -24.18 19.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.842 -0.617 . . . . 4.16 109.939 176.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' TRP . . . . . 0.534 ' CE3' ' HB3' ' B' ' 112' ' ' LEU . 97.8 m95 -135.14 139.95 45.04 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.622 -0.717 . . . . 3.7 111.802 -172.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' ASN . . . . . 0.448 ' HB3' ' OG ' ' B' ' 113' ' ' SER . 8.3 t30 -97.41 135.36 39.4 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.966 -1.124 . . . . 3.0 107.966 168.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 25.3 t -131.21 135.86 47.76 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.369 0.507 . . . . 2.16 112.369 -166.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . 0.418 ' CZ ' HG23 ' B' ' 111' ' ' VAL . 42.3 p90 -156.93 166.8 32.34 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.437 -0.801 . . . . 4.07 108.841 170.085 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . 0.508 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 13.0 m -105.14 140.64 38.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.789 0.328 . . . . 1.67 111.616 -169.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.492 ' O ' HG22 ' B' ' 109' ' ' VAL . 52.5 m -132.05 135.99 46.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.986 -0.552 . . . . 2.49 109.541 178.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 16.6 m -87.78 127.9 35.32 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.848 0.356 . . . . 3.09 110.924 -177.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 7.0 t -91.39 166.96 12.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.412 -0.358 . . . . 3.17 110.183 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -138.7 144.12 39.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.464 -0.334 . . . . 4.39 111.522 -170.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' THR . . . . . 0.657 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 7.8 t -116.35 171.05 8.08 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.215 -0.661 . . . . 1.61 109.215 174.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.459 ' HA ' ' O ' ' B' ' 102' ' ' ILE . 97.4 m-85 -117.41 115.78 25.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.11 0.481 . . . . 2.52 110.604 -178.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . 0.432 HG12 HG12 ' A' ' 87' ' ' VAL . 27.3 m -112.77 148.99 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.643 -0.708 . . . . 1.59 111.027 -176.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -75.25 111.06 10.11 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.263 -0.426 . . . . 4.22 109.999 176.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.92 140.02 51.86 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.397 -0.365 . . . . 1.57 110.634 178.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 26.2 tp -78.0 124.85 28.52 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.401 -0.963 . . . . 1.87 108.401 174.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' THR . . . . . 0.417 ' O ' ' HA ' ' B' ' 97' ' ' ALA . 69.7 p -123.81 154.03 40.17 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 120.979 -0.288 . . . . 1.44 110.876 -176.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 6.4 t -114.11 109.79 18.99 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.802 0.81 . . . . 1.63 109.726 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -74.03 -52.13 13.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.319 -0.855 . . . . 2.46 110.55 -175.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -136.31 -72.78 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.248 -0.433 . . . . 3.09 110.74 176.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -128.17 7.65 6.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.639 0.257 . . . . 3.76 111.035 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -130.23 153.98 48.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.798 0.332 . . . . 3.02 110.805 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' B' ' 91' ' ' THR . . . -108.5 128.23 54.62 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.798 -0.637 . . . . 1.8 110.608 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -135.44 148.13 49.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.249 -0.432 . . . . 1.79 110.51 -177.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 69.9 m95 -75.91 124.69 27.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.168 -0.469 . . . . 2.87 110.939 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 55.5 mmt-85 -126.82 164.39 21.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.834 -0.621 . . . . 3.93 110.693 178.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.414 ' O ' ' HA ' ' B' ' 30' ' ' ASP . 31.0 m-85 -110.44 106.08 15.28 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 107.66 -1.237 . . . . 2.75 107.66 176.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' B' ' 86' ' ' PHE . 38.6 pt -111.5 144.6 19.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.218 0.532 . . . . 1.33 111.546 -168.025 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.657 ' HA ' ' O ' ' B' ' 85' ' ' THR . 28.8 ptt180 -79.76 123.17 27.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.875 -1.057 . . . . 4.28 110.604 178.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 45.3 pt -121.69 143.03 35.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 116.006 -0.543 . . . . 1.36 109.811 173.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . 0.759 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 38.5 m-20 -62.86 126.85 28.73 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.302 -0.629 . . . . 1.69 109.302 178.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' THR . . . . . 0.553 ' O ' ' HB ' ' B' ' 56' ' ' THR . 3.5 m -116.31 -36.43 4.03 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 112.728 0.64 . . . . 2.65 112.728 -172.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -156.63 158.64 37.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.8 0.333 . . . . 1.64 110.872 -176.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . 0.508 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 52.4 t -105.67 117.53 34.26 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.95 -0.568 . . . . 1.6 109.582 178.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.492 HG22 ' O ' ' B' ' 81' ' ' THR . 11.9 m -104.96 158.79 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.392 -0.367 . . . . 1.53 110.095 -178.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 42.7 t -110.03 125.2 52.67 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.823 -0.436 . . . . 1.45 109.823 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.418 HG23 ' CZ ' ' B' ' 79' ' ' TYR . 2.9 m -92.37 154.51 3.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.328 -0.397 . . . . 2.0 110.233 -178.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . 0.534 ' HB3' ' CE3' ' B' ' 76' ' ' TRP . 95.5 mt -125.91 138.46 53.78 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.125 0.488 . . . . 1.86 110.193 175.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' SER . . . . . 0.47 ' O ' ' HA ' ' B' ' 76' ' ' TRP . 2.2 p -137.37 169.89 17.01 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.691 -0.686 . . . . 3.01 109.648 176.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -88.23 10.72 18.59 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.527 0.566 . . . . 7.45 112.527 -173.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . 0.428 ' HG2' ' HB2' ' B' ' 77' ' ' ASN . 56.3 mtpt 68.11 32.33 4.97 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.28 0.562 . . . . 4.91 109.657 -178.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . 179.77 -53.13 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.659 -1.155 . . . . 4.74 108.795 -177.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 23.5 p -115.08 174.22 6.1 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.161 -0.927 . . . . 6.02 110.07 175.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' ARG . . . . . 0.407 ' HD2' ' N ' ' B' ' 118' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.62 -0.705 . . . . 9.38 109.822 178.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.4 t . . . . . 0 N--CA 1.478 0.926 0 CA-C-O 120.911 0.386 . . . . 14.21 110.412 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -85.01 78.4 9.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.914 0.388 . . . . 12.85 110.281 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.9 p -118.01 33.77 5.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.852 0.358 . . . . 11.6 111.873 -178.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.523 ' HB2' ' SD ' ' A' ' 9' ' ' MET . 41.9 p-80 -134.59 97.55 14.22 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 121.185 0.517 . . . . 10.94 110.105 176.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -79.26 -3.72 13.27 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.547 2.165 . . . . 8.15 113.158 -175.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.6 t 70.33 -58.46 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 123.035 0.534 . . . . 7.04 112.143 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -77.38 61.29 2.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.078 0.466 . . . . 7.84 111.244 -175.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.428 ' HA ' ' OE2' ' A' ' 11' ' ' GLU . 24.8 t60 178.62 -37.82 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.259 -0.882 . . . . 8.41 108.849 177.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.523 ' SD ' ' HB2' ' A' ' 4' ' ' HIS . 25.1 ptm -82.98 -17.23 44.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.465 -0.789 . . . . 5.62 110.433 178.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.403 ' O ' ' HB ' ' B' ' 111' ' ' VAL . . . -111.83 17.27 25.28 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.831 -0.699 . . . . 4.39 112.019 178.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.428 ' OE2' ' HA ' ' A' ' 8' ' ' HIS . 41.9 mt-10 -89.93 46.69 1.38 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.06 0.457 . . . . 4.63 110.797 -179.075 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.401 ' HB2' ' O ' ' B' ' 112' ' ' LEU . 44.6 m-85 -100.32 78.25 2.03 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.286 -0.635 . . . . 4.02 109.286 174.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.1 m -59.72 127.25 31.04 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.78 -1.1 . . . . 2.58 111.319 -176.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.6 m -68.33 -25.68 32.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.025 -0.534 . . . . 1.8 110.57 176.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 74.0 m -127.91 126.44 41.52 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.648 -0.871 . . . . 1.75 108.648 173.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.437 ' HB3' ' HB2' ' A' ' 60' ' ' ALA . 10.7 t70 -66.23 115.57 6.35 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.161 0.505 . . . . 2.87 110.033 -175.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.519 ' OG ' ' HB3' ' A' ' 108' ' ' CYS . 23.8 m -113.29 146.56 39.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.803 -0.635 . . . . 1.91 111.485 -172.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 56' ' ' THR . 2.8 p -119.54 116.12 49.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.828 -0.624 . . . . 1.88 110.185 174.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.8 m -101.85 121.65 42.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.103 -0.499 . . . . 1.95 110.839 -178.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.4 t -130.55 138.59 53.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.23 -0.441 . . . . 1.55 110.361 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -86.94 95.36 9.88 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.805 -0.813 . . . . 1.86 108.805 171.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 64.9 t -86.87 118.72 33.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.307 -0.86 . . . . 1.41 110.873 -173.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -108.08 11.13 37.35 Favored Glycine 0 N--CA 1.444 -0.833 0 N-CA-C 111.058 -0.817 . . . . 1.36 111.058 175.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -113.26 14.19 19.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.644 0.259 . . . . 3.02 111.036 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.499 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 81.1 tttt -77.76 101.21 6.59 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.357 -0.609 . . . . 1.64 109.357 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.7 t -96.04 -5.05 41.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.195 -0.457 . . . . 2.12 111.768 -172.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 1.0 OUTLIER -142.99 135.59 27.62 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.7 0.286 . . . . 1.54 111.053 178.511 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.33 166.14 27.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.215 -0.448 . . . . 1.29 110.735 178.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.5 m -100.44 118.06 35.9 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.201 -0.454 . . . . 1.53 110.533 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -70.12 163.38 26.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.046 -0.525 . . . . 1.85 109.673 175.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.3 tt -60.05 -26.02 34.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.937 0.399 . . . . 1.74 111.243 -178.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -80.49 -7.44 59.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.454 -0.339 . . . . 2.65 111.145 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.58 12.75 53.09 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.697 -0.763 . . . . 1.25 112.08 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -84.3 132.11 34.65 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.51 -0.181 . . . . 2.58 110.51 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -82.38 114.1 20.6 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.226 -1.028 . . . . 2.19 108.226 170.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 27' ' ' THR . 26.9 m -114.79 152.9 16.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 121.041 0.448 . . . . 1.48 111.151 -175.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.443 ' HB ' ' CG2' ' A' ' 92' ' ' THR . 23.8 m -85.44 106.43 16.79 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.338 -0.846 . . . . 1.5 109.643 178.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.499 ' HB ' ' O ' ' A' ' 25' ' ' LYS . 43.0 t -80.75 136.02 24.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.836 -0.62 . . . . 1.55 109.915 -178.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 76.5 mt -86.84 113.97 23.1 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.958 -0.565 . . . . 1.91 110.058 -178.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.505 ' O ' ' HA ' ' A' ' 50' ' ' ARG . . . -64.58 -37.1 86.38 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 108.808 -0.812 . . . . 2.35 108.808 174.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.413 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 45.2 mm-40 -106.14 114.43 28.55 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.612 -1.176 . . . . 3.59 108.212 172.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.588 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 35.6 m -100.0 135.65 34.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 C-N-CA 120.494 -0.483 . . . . 2.85 110.741 -178.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -95.44 98.76 10.79 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.889 -0.596 . . . . 3.25 109.71 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.7 mt -115.28 96.26 4.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.281 -0.418 . . . . 2.98 110.089 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 58.91 48.37 11.15 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.849 -0.614 . . . . 3.91 110.698 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 67.68 16.85 9.84 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.083 -0.962 . . . . 5.31 111.433 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.2 t -113.71 114.84 26.92 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.455 -0.943 . . . . 3.53 108.455 173.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.588 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 21.3 t -109.21 124.03 65.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.274 -0.421 . . . . 2.78 110.816 -174.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.407 ' O ' HG22 ' A' ' 42' ' ' VAL . 35.7 p90 -157.1 167.72 29.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.637 0.256 . . . . 4.85 110.751 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.505 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 90.7 mtm180 -87.97 128.56 35.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.201 0.524 . . . . 5.38 110.782 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.486 HE21 HG23 ' A' ' 42' ' ' VAL . 49.9 mm-40 -77.94 -38.71 44.76 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.342 -0.844 . . . . 5.18 112.522 -176.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 68.88 143.56 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.827 0 O-C-N 123.724 0.64 . . . . 2.96 111.405 -176.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -130.6 142.03 50.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.727 -0.669 . . . . 1.28 110.239 176.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -85.83 94.85 9.25 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.894 0.378 . . . . 4.41 110.431 -176.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -101.0 113.73 27.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.915 -0.584 . . . . 1.49 110.35 -178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 90.9 m -109.65 111.86 23.59 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.61 -0.515 . . . . 1.56 109.61 175.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -106.35 147.42 29.25 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.121 -0.49 . . . . 2.93 111.222 -173.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.402 ' SG ' HG23 ' A' ' 82' ' ' THR . 36.1 m -81.9 88.7 6.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.724 -0.671 . . . . 1.77 109.487 176.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -75.8 -18.4 59.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.797 0.332 . . . . 3.84 110.825 -177.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.437 ' HB2' ' HB3' ' A' ' 16' ' ' ASP . . . -142.46 86.1 1.94 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.038 0.447 . . . . 2.96 110.649 175.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.5 m -79.86 131.76 35.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.849 -0.614 . . . . 3.02 109.718 177.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.5 m120 60.45 67.88 1.49 Allowed Pre-proline 0 N--CA 1.468 0.434 0 O-C-N 123.557 0.535 . . . . 2.59 110.206 -175.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.07 -33.2 91.98 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.586 2.191 . . . . 2.81 112.198 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.5 m -98.22 154.6 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.119 -0.492 . . . . 2.53 109.897 177.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -81.56 70.76 8.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.384 0.611 . . . . 4.19 110.063 -178.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.6 p -174.76 -70.59 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.979 -1.01 . . . . 4.07 109.43 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.21 -91.17 0.08 OUTLIER Glycine 0 N--CA 1.443 -0.852 0 CA-C-N 115.733 -0.667 . . . . 2.7 111.647 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 97.0 m -134.54 157.21 47.12 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.825 0.345 . . . . 1.76 110.783 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -62.08 114.2 3.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.458 -0.792 . . . . 4.4 111.078 -177.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 99.78 -22.47 40.25 Favored Glycine 0 N--CA 1.454 -0.139 0 C-N-CA 120.777 -0.725 . . . . 1.61 112.984 175.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 36.6 mm -77.52 138.43 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.791 0.329 . . . . 2.04 111.393 -177.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -71.37 95.93 1.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.04 -0.726 . . . . 3.32 109.04 171.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.2 t -83.47 13.46 4.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.206 -0.452 . . . . 4.99 111.083 -174.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -95.72 -41.89 8.65 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.038 0.447 . . . . 3.32 109.977 177.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -95.79 -17.79 20.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.892 -0.595 . . . . 4.16 110.514 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -123.41 144.41 49.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.964 -0.562 . . . . 3.71 111.149 -177.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.403 ' HB3' ' HB3' ' A' ' 113' ' ' SER . 31.1 t30 -100.45 134.71 43.0 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.824 -1.176 . . . . 3.0 107.824 169.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.619 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 4.9 m -129.38 134.16 47.73 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.802 0.334 . . . . 2.16 111.254 -173.417 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -149.22 147.03 27.92 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.039 -0.528 . . . . 4.07 110.277 175.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 31.9 m -88.13 124.37 33.73 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.312 -0.858 . . . . 1.67 110.369 -174.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 33.1 m -131.93 134.77 46.04 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.585 -0.734 . . . . 2.49 109.425 -178.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.438 ' HB ' ' HB3' ' A' ' 105' ' ' ASP . 15.3 p -78.34 137.65 38.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.919 0.39 . . . . 3.09 111.218 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.1 p -86.57 122.72 30.89 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 109.743 -0.466 . . . . 3.17 109.743 176.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.508 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 18.5 p-80 -104.85 121.93 44.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.131 -0.486 . . . . 4.4 110.411 -177.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.566 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 7.4 t -112.62 160.86 17.45 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.815 -0.809 . . . . 1.61 108.815 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.4 ' CE1' ' HB3' ' A' ' 103' ' ' ARG . 97.7 m-85 -102.89 117.87 35.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.059 0.456 . . . . 2.52 110.621 -175.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.5 m -109.96 153.39 11.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.508 -0.769 . . . . 1.59 110.384 -177.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -91.56 105.33 17.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.466 -0.788 . . . . 4.22 109.461 -176.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.38 144.15 51.1 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.068 0.461 . . . . 1.57 111.708 -174.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 26.8 tp -76.86 104.43 7.35 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.334 -0.617 . . . . 1.87 109.334 175.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 58.0 p -121.09 154.8 35.66 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.909 -0.587 . . . . 1.44 109.452 -178.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.443 ' CG2' ' HB ' ' A' ' 37' ' ' THR . 10.6 t -96.06 121.88 38.29 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 119.785 -0.766 . . . . 1.63 109.757 178.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -65.45 -26.59 68.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.755 -1.111 . . . . 2.47 109.844 -178.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -176.37 -64.31 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.801 -1.185 . . . . 3.09 107.801 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -137.13 30.65 2.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.561 0.696 . . . . 3.75 109.418 172.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -144.12 117.94 9.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.143 -0.935 . . . . 3.02 109.857 -176.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.61 125.57 29.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.32 -0.4 . . . . 1.8 110.897 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.41 150.03 38.49 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.011 -0.541 . . . . 1.79 110.043 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -79.58 100.55 7.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.978 0.418 . . . . 2.88 110.215 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -100.24 169.0 9.43 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.833 -0.621 . . . . 3.92 110.15 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -106.77 101.5 10.94 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.748 -0.834 . . . . 2.74 108.748 178.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 40.0 pt -112.29 142.63 24.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.168 0.508 . . . . 1.33 110.702 -172.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.566 ' HA ' ' O ' ' A' ' 85' ' ' THR . 7.5 ppt_? -82.78 132.02 35.18 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.727 -0.67 . . . . 4.27 110.985 -177.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.508 ' O ' ' HA ' ' A' ' 84' ' ' HIS . 47.5 pt -123.0 145.89 29.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.444 -0.798 . . . . 1.36 109.064 172.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.438 ' HB3' ' HB ' ' A' ' 82' ' ' THR . 17.2 m-20 -85.11 97.22 9.75 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.694 -0.854 . . . . 1.69 108.694 178.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.8 t -91.73 -13.76 31.1 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.908 -0.587 . . . . 2.66 112.236 -167.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -158.41 164.14 36.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.575 0.226 . . . . 1.64 110.839 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.519 ' HB3' ' OG ' ' A' ' 17' ' ' SER . 44.5 t -122.49 115.82 22.87 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.315 -0.624 . . . . 1.59 109.315 177.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 19.9 m -117.89 153.3 19.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.948 0.404 . . . . 1.52 111.007 -174.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.619 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 41.9 t -94.66 114.8 26.79 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.942 -0.762 . . . . 1.45 108.942 173.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.415 ' HB ' ' O ' ' B' ' 10' ' ' GLY . 34.4 m -96.16 142.47 13.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 C-N-CA 120.569 -0.452 . . . . 2.0 109.92 -179.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' B' ' 12' ' ' PHE . 58.9 mt -102.36 139.53 37.85 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.247 0.546 . . . . 1.86 110.661 -177.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.403 ' HB3' ' HB3' ' A' ' 77' ' ' ASN . 8.8 t -125.14 144.56 50.37 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 108.416 -0.957 . . . . 3.01 108.416 173.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -78.0 9.53 3.57 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.529 -0.305 . . . . 7.46 111.256 -175.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt 75.4 -61.56 0.47 Allowed 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.335 0.654 . . . . 4.91 110.622 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -87.59 54.76 3.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.39 0.614 . . . . 4.73 109.984 176.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.43 ' O ' ' HD2' ' A' ' 118' ' ' ARG . 2.7 p -92.81 -4.04 53.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.846 -0.615 . . . . 6.02 111.948 -176.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.43 ' HD2' ' O ' ' A' ' 117' ' ' THR . 13.8 mmm180 . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.493 -0.765 . . . . 9.37 109.4 178.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 33.0 t . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 120.8 0.334 . . . . 14.21 110.599 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.8 m -84.91 77.82 10.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.878 0.371 . . . . 12.86 110.355 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 18.5 p -117.61 33.36 5.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.88 0.371 . . . . 11.6 111.764 -177.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . 0.528 ' HB2' ' SD ' ' B' ' 9' ' ' MET . 41.7 p-80 -134.33 97.43 14.71 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 121.323 0.582 . . . . 10.95 110.279 176.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -78.96 -3.79 13.46 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.551 2.167 . . . . 8.15 113.148 -175.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 69.1 t 70.27 -58.71 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 123.216 0.606 . . . . 7.04 112.089 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -76.89 60.99 1.86 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.174 0.511 . . . . 7.83 111.337 -175.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . 0.416 ' HA ' ' OE2' ' B' ' 11' ' ' GLU . 24.7 t60 178.73 -37.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.241 -0.89 . . . . 8.41 108.807 177.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' MET . . . . . 0.528 ' SD ' ' HB2' ' B' ' 4' ' ' HIS . 25.3 ptm -83.07 -17.08 44.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.37 -0.832 . . . . 5.62 110.442 178.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.415 ' O ' ' HB ' ' A' ' 111' ' ' VAL . . . -111.97 17.45 24.79 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.926 -0.654 . . . . 4.39 112.1 178.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.416 ' OE2' ' HA ' ' B' ' 8' ' ' HIS . 42.8 mt-10 -89.98 46.35 1.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.347 0.594 . . . . 4.62 110.984 -179.105 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . 0.42 ' HB2' ' O ' ' A' ' 112' ' ' LEU . 44.9 m-85 -100.08 77.94 2.04 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.523 0.677 . . . . 4.01 109.265 174.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 15.9 m -59.03 127.33 31.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.75 -1.114 . . . . 2.58 111.329 -176.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 28.9 m -68.55 -25.69 31.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.998 -0.546 . . . . 1.81 110.509 176.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 75.1 m -127.91 126.68 41.97 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.745 -0.835 . . . . 1.75 108.745 173.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . 0.42 ' HB3' ' HB2' ' B' ' 60' ' ' ALA . 9.1 t70 -66.43 115.46 6.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.084 0.469 . . . . 2.87 109.974 -175.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.512 ' OG ' ' HB3' ' B' ' 108' ' ' CYS . 23.1 m -113.31 146.3 39.64 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.76 -0.655 . . . . 1.91 111.495 -172.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' B' ' 56' ' ' THR . 2.8 p -119.5 115.79 48.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.916 -0.584 . . . . 1.88 110.22 174.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.1 m -101.58 122.01 43.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.064 -0.517 . . . . 1.95 110.792 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 62.0 t -130.74 138.63 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.066 -0.515 . . . . 1.55 110.418 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -87.0 95.38 9.91 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.79 -0.819 . . . . 1.86 108.79 171.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 65.9 t -86.87 118.82 33.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.433 -0.803 . . . . 1.41 110.877 -173.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.91 10.78 37.77 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 111.141 -0.784 . . . . 1.36 111.141 175.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -113.33 14.33 19.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 3.01 110.894 -178.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.484 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 81.0 tttt -77.69 101.29 6.55 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.378 -0.601 . . . . 1.64 109.378 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 9.6 t -96.2 -5.37 40.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.296 -0.411 . . . . 2.11 111.828 -172.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' B' ' 36' ' ' VAL . 1.2 p -142.48 135.81 28.78 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.795 0.331 . . . . 1.53 111.077 178.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.18 166.23 26.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.278 -0.419 . . . . 1.29 110.772 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 3.6 m -100.52 117.96 35.74 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.152 -0.476 . . . . 1.52 110.417 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -70.07 163.4 26.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.112 -0.495 . . . . 1.84 109.669 175.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.3 tt -59.86 -25.76 33.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.003 0.43 . . . . 1.74 111.417 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -80.53 -7.97 59.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.365 -0.379 . . . . 2.65 111.19 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.9 12.57 52.46 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.849 -0.691 . . . . 1.25 112.205 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -83.94 132.27 34.78 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.579 -0.156 . . . . 2.58 110.579 -179.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -82.73 113.77 20.62 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.296 -1.002 . . . . 2.19 108.296 170.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' B' ' 27' ' ' THR . 27.1 m -114.58 152.87 16.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 116.211 -0.449 . . . . 1.48 111.154 -175.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' THR . . . . . 0.449 ' HB ' ' CG2' ' B' ' 92' ' ' THR . 25.9 m -85.34 106.57 16.82 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.271 -0.877 . . . . 1.5 109.552 178.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.484 ' HB ' ' O ' ' B' ' 25' ' ' LYS . 42.7 t -80.66 135.96 24.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 115.849 -0.614 . . . . 1.55 109.892 -178.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 76.6 mt -86.78 114.04 23.11 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.039 -0.528 . . . . 1.91 110.105 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.516 ' O ' ' HA ' ' B' ' 50' ' ' ARG . . . -64.5 -37.18 86.66 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 108.766 -0.827 . . . . 2.34 108.766 174.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.404 ' HB3' ' CG1' ' B' ' 48' ' ' VAL . 42.2 mm-40 -106.2 114.41 28.53 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.639 -1.164 . . . . 3.59 108.334 172.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.597 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 35.4 m -99.75 135.72 34.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 120.984 0.421 . . . . 2.85 110.74 -178.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -95.57 98.76 10.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.961 -0.563 . . . . 3.25 109.615 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 66.6 mt -115.19 96.12 4.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.227 -0.442 . . . . 2.98 110.099 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . 0.401 ' N ' HD21 ' B' ' 45' ' ' ASN . 0.9 OUTLIER 59.01 48.66 10.52 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.681 -0.69 . . . . 3.91 110.523 179.377 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 67.51 16.73 9.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.202 -0.908 . . . . 5.31 111.447 178.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 14.3 t -113.59 115.02 27.27 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.451 -0.944 . . . . 3.54 108.451 173.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.597 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 20.2 t -109.63 123.34 65.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.251 -0.431 . . . . 2.78 110.882 -174.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . 0.425 ' O ' HG22 ' B' ' 42' ' ' VAL . 36.0 p90 -156.51 167.75 29.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.496 -0.32 . . . . 4.84 110.787 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.516 ' HA ' ' O ' ' B' ' 40' ' ' ALA . 90.5 mtm180 -88.05 128.5 35.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 5.38 110.871 -179.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . 0.485 HE21 HG23 ' B' ' 42' ' ' VAL . 49.9 mm-40 -77.88 -38.52 45.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.543 -0.753 . . . . 5.18 112.638 -176.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 68.81 143.5 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.636 0 O-C-N 123.658 0.599 . . . . 2.96 111.317 -176.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -130.63 142.04 50.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.726 -0.67 . . . . 1.28 110.128 176.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -85.81 94.97 9.27 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.963 0.411 . . . . 4.41 110.316 -176.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -101.2 113.22 26.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.897 -0.592 . . . . 1.49 110.339 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 91.5 m -108.98 112.1 24.13 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.69 -0.485 . . . . 1.57 109.69 175.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -106.56 147.07 29.88 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.171 -0.468 . . . . 2.93 111.187 -173.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 36.0 m -81.29 89.08 6.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.632 -0.713 . . . . 1.77 109.449 176.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -76.03 -18.79 59.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.644 0.259 . . . . 3.85 110.743 -177.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . 0.42 ' HB2' ' HB3' ' B' ' 16' ' ' ASP . . . -142.46 86.34 1.95 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.286 -0.416 . . . . 2.96 110.517 175.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 16.4 m -79.98 132.24 35.98 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.872 -0.604 . . . . 3.01 109.637 177.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 16.7 m120 60.14 67.87 1.57 Allowed Pre-proline 0 N--CA 1.467 0.392 0 O-C-N 123.445 0.466 . . . . 2.59 110.44 -174.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -61.51 -32.29 88.09 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.608 2.206 . . . . 2.81 112.234 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 24.0 m -98.96 154.6 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.128 -0.487 . . . . 2.53 109.887 177.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -81.41 70.17 8.21 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.371 0.605 . . . . 4.2 110.283 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 13.8 p -174.18 -70.01 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.055 -0.975 . . . . 4.07 109.466 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.87 -91.08 0.08 OUTLIER Glycine 0 N--CA 1.442 -0.965 0 CA-C-N 115.493 -0.776 . . . . 2.7 111.68 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 96.6 m -134.64 157.21 47.2 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.742 0.306 . . . . 1.76 110.8 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -61.98 114.09 3.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.591 -0.731 . . . . 4.4 111.105 -177.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 99.78 -22.32 40.95 Favored Glycine 0 N--CA 1.454 -0.137 0 C-N-CA 120.671 -0.776 . . . . 1.61 113.046 175.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 36.9 mm -77.7 138.1 21.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.721 0.296 . . . . 2.04 111.264 -177.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -71.1 95.81 1.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.053 -0.721 . . . . 3.32 109.053 171.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 12.4 t -83.54 13.89 4.19 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.166 -0.47 . . . . 4.99 110.999 -174.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -96.31 -41.87 8.43 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.87 -0.418 . . . . 3.33 109.87 177.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -95.65 -17.88 20.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.925 -0.579 . . . . 4.16 110.558 177.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -123.65 144.12 49.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.952 -0.567 . . . . 3.7 111.113 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 29.9 t30 -100.06 134.6 42.73 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 107.816 -1.179 . . . . 3.0 107.816 169.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.621 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 5.1 m -129.2 134.41 47.99 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 120.846 0.355 . . . . 2.16 111.113 -173.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -149.38 147.08 27.87 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 116.071 -0.513 . . . . 4.07 110.252 175.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 32.8 m -88.36 124.17 33.65 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.403 -0.817 . . . . 1.67 110.525 -173.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 34.6 m -131.8 135.04 46.45 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.57 -0.741 . . . . 2.49 109.337 -178.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.47 ' HB ' ' HB3' ' B' ' 105' ' ' ASP . 13.9 p -78.48 137.81 38.13 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.845 0.355 . . . . 3.09 111.139 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 20.5 p -86.58 122.53 30.63 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 109.766 -0.457 . . . . 3.17 109.766 176.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' HIS . . . . . 0.495 ' HA ' ' O ' ' B' ' 104' ' ' ILE . 18.7 p-80 -104.57 121.89 44.45 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.099 -0.501 . . . . 4.39 110.521 -178.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' THR . . . . . 0.578 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 7.2 t -112.55 160.88 17.38 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.865 -0.791 . . . . 1.61 108.865 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.401 ' CE1' ' HB3' ' B' ' 103' ' ' ARG . 97.5 m-85 -102.91 117.91 35.65 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.988 0.423 . . . . 2.52 110.477 -175.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 27.6 m -110.02 153.36 11.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.625 -0.716 . . . . 1.59 110.287 -177.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -91.63 105.19 17.55 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.401 -0.818 . . . . 4.22 109.434 -176.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.33 144.19 51.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.964 0.411 . . . . 1.57 111.706 -174.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 27.0 tp -76.91 104.46 7.42 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.313 -0.625 . . . . 1.87 109.313 175.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 60.1 p -121.21 154.79 35.81 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.854 -0.612 . . . . 1.44 109.401 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' THR . . . . . 0.449 ' CG2' ' HB ' ' B' ' 37' ' ' THR . 10.8 t -96.03 121.78 38.16 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 119.885 -0.726 . . . . 1.63 109.645 179.075 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.58 -26.54 67.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.784 -1.098 . . . . 2.46 109.941 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -176.35 -64.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 107.894 -1.15 . . . . 3.09 107.894 179.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -137.29 30.93 2.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.662 0.744 . . . . 3.76 109.243 171.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -144.03 118.12 9.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.077 -0.965 . . . . 3.02 109.905 -175.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.94 125.67 30.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.352 -0.385 . . . . 1.8 110.633 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.72 149.56 37.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.804 -0.634 . . . . 1.79 110.201 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -79.11 100.63 7.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.034 0.445 . . . . 2.87 110.387 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -100.42 168.84 9.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.833 -0.621 . . . . 3.93 110.071 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -106.65 101.43 10.88 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.699 -0.852 . . . . 2.75 108.699 178.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 40.4 pt -112.22 142.61 24.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.196 0.522 . . . . 1.33 110.845 -172.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.578 ' HA ' ' O ' ' B' ' 85' ' ' THR . 7.5 ppt_? -82.8 131.95 35.18 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.712 -0.676 . . . . 4.28 110.866 -177.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' ILE . . . . . 0.495 ' O ' ' HA ' ' B' ' 84' ' ' HIS . 47.8 pt -122.97 145.84 29.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.242 -0.89 . . . . 1.36 109.031 172.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . 0.47 ' HB3' ' HB ' ' B' ' 82' ' ' THR . 16.6 m-20 -85.39 97.4 9.97 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.735 -0.839 . . . . 1.69 108.735 178.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 10.2 t -91.88 -13.72 30.83 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.781 -0.645 . . . . 2.65 112.104 -167.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -158.17 164.4 36.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.544 0.211 . . . . 1.64 110.873 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . 0.512 ' HB3' ' OG ' ' B' ' 17' ' ' SER . 44.4 t -122.74 115.77 22.61 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.278 -0.638 . . . . 1.6 109.278 177.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 19.7 m -117.86 153.4 19.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.88 0.371 . . . . 1.53 110.928 -174.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . 0.621 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 41.5 t -94.86 114.95 26.87 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.924 -0.769 . . . . 1.45 108.924 173.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 34.7 m -96.24 142.44 13.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.784 -0.45 . . . . 2.0 109.784 -179.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . 0.401 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 58.6 mt -102.35 139.5 37.87 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.221 0.534 . . . . 1.86 110.697 -177.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 8.7 t -125.02 144.42 50.4 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 108.523 -0.917 . . . . 3.01 108.523 173.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' B' ' 115' ' ' LYS . 23.9 tpt180 -77.89 9.3 3.68 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.546 -0.297 . . . . 7.45 111.353 -175.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' B' ' 114' ' ' ARG . 58.4 mtpt 75.47 -61.47 0.47 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.542 0.737 . . . . 4.91 110.385 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -87.34 54.13 3.05 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.209 0.528 . . . . 4.74 110.062 176.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' THR . . . . . 0.426 ' O ' ' HD2' ' B' ' 118' ' ' ARG . 2.5 p -92.21 -4.2 54.48 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.893 -0.594 . . . . 6.02 111.874 -176.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' ARG . . . . . 0.426 ' HD2' ' O ' ' B' ' 117' ' ' THR . 13.8 mmm180 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.464 -0.779 . . . . 9.38 109.631 178.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 121.069 0.462 . . . . 14.21 110.758 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 p -143.0 135.8 27.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.095 -0.502 . . . . 12.85 110.043 178.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.1 t -158.79 158.62 33.9 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.626 -0.509 . . . . 11.6 109.626 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -140.9 79.06 19.05 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-O 120.929 0.395 . . . . 10.94 111.11 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.416 ' C ' ' H ' ' A' ' 7' ' ' PHE . 11.9 Cg_exo -70.36 64.38 2.15 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 123.162 2.575 . . . . 8.15 111.431 176.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.9 t 72.05 -12.02 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 115.337 -0.847 . . . . 7.04 111.287 -178.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.416 ' H ' ' C ' ' A' ' 5' ' ' PRO . 53.2 m-85 -76.8 20.96 0.22 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.12 0.486 . . . . 7.84 111.776 -177.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -153.87 21.5 0.52 Allowed 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 107.887 -1.153 . . . . 8.41 107.887 171.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 53.9 mtp -131.72 -40.4 1.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.674 -1.148 . . . . 5.62 109.933 -175.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -129.51 38.33 2.02 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-N 115.588 -0.733 . . . . 4.39 112.128 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.35 28.16 8.38 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.029 0.442 . . . . 4.63 110.8 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -73.15 120.43 18.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.754 -0.657 . . . . 4.02 109.844 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.9 p -77.46 144.18 37.98 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.986 -0.552 . . . . 2.58 110.329 -178.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.3 m -61.91 -20.32 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-N 115.928 -0.578 . . . . 1.8 111.709 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.473 ' HB2' ' SG ' ' A' ' 110' ' ' CYS . 28.7 t -142.78 150.3 39.83 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.9 -0.778 . . . . 1.75 108.9 177.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -82.06 138.97 34.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.146 0.498 . . . . 2.87 110.811 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.0 p -138.46 150.91 46.92 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.955 -0.566 . . . . 1.91 111.113 -175.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.51 ' HB ' ' NE ' ' A' ' 59' ' ' ARG . 4.6 p -123.5 118.29 53.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.05 -0.523 . . . . 1.88 110.441 176.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.5 m -93.95 124.34 37.9 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.234 -0.439 . . . . 1.95 110.454 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 67.9 t -119.67 137.84 52.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.225 -0.443 . . . . 1.55 110.729 -177.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.432 ' HA ' ' O ' ' A' ' 53' ' ' PHE . 95.3 m95 -96.63 96.63 8.77 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.219 -0.66 . . . . 1.86 109.219 173.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.4 t -77.48 121.04 29.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.728 -0.669 . . . . 1.41 109.975 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.11 8.03 33.11 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.509 -0.853 . . . . 1.36 112.452 -178.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -148.18 47.18 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 3.02 110.964 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -71.89 131.78 43.48 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.357 -0.608 . . . . 1.64 109.357 177.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.6 t -103.77 -34.17 8.66 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.162 0.43 . . . . 2.12 112.162 -172.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.0 p -140.66 148.03 40.2 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.009 -0.432 . . . . 1.54 111.587 -177.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -149.16 170.52 18.24 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.827 -0.624 . . . . 1.29 110.209 175.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.6 m -108.71 119.34 39.24 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.053 -0.522 . . . . 1.53 110.29 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.476 ' OD1' ' HB3' ' A' ' 100' ' ' ARG . 19.6 t70 -68.59 159.78 31.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.5 -0.773 . . . . 1.85 109.677 177.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.0 tt -58.87 -21.39 19.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 122.722 0.409 . . . . 1.74 111.566 -178.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -82.9 -9.6 59.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.909 0.385 . . . . 2.65 111.032 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.29 16.86 36.17 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.827 -0.701 . . . . 1.25 112.501 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -94.05 140.81 29.26 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.583 0.23 . . . . 2.58 110.809 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -85.84 115.27 23.37 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.103 -0.703 . . . . 2.19 109.103 173.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -117.9 150.96 19.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 116.076 -0.511 . . . . 1.48 111.125 -175.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.456 ' HB ' ' CG2' ' A' ' 92' ' ' THR . 17.8 m -83.37 118.32 23.62 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 115.539 -0.755 . . . . 1.5 109.493 178.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.448 ' HA ' HG23 ' A' ' 91' ' ' THR . 97.5 t -82.61 135.7 24.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.119 -0.491 . . . . 1.55 110.681 -175.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 66.1 mt -104.56 105.67 15.86 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 109.345 -0.613 . . . . 1.91 109.345 178.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.54 -28.41 69.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.531 0.681 . . . . 2.35 109.825 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -106.64 126.19 51.96 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.886 -1.052 . . . . 3.59 108.871 174.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.2 m -88.85 122.7 40.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 121.461 0.648 . . . . 2.85 110.363 -176.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -86.88 98.34 11.16 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.295 -0.866 . . . . 3.25 110.131 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.401 ' HB ' ' HB2' ' A' ' 47' ' ' SER . 77.6 mt -117.06 148.31 19.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 108.222 -1.029 . . . . 2.98 108.222 176.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -58.47 108.93 0.69 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.749 0.309 . . . . 3.91 110.692 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.19 28.39 3.06 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.198 -0.91 . . . . 5.31 110.896 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.401 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 67.7 m -157.76 114.29 2.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.892 0.377 . . . . 3.53 110.76 175.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 52.1 t -132.36 115.78 26.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 2.78 109.923 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -149.38 157.5 43.37 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.736 0.303 . . . . 4.85 111.039 -178.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -84.95 124.94 32.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.802 -0.636 . . . . 5.38 111.005 -176.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.453 ' HB3' ' HD2' ' B' ' 88' ' ' LYS . 15.9 mm100 -112.61 100.84 9.04 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.66 -0.7 . . . . 5.18 109.887 179.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -67.98 167.7 13.28 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.253 -0.431 . . . . 2.96 111.545 -173.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.432 ' O ' ' HA ' ' A' ' 21' ' ' TRP . 80.0 m-85 -124.76 136.73 54.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.958 -0.564 . . . . 1.28 110.806 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -94.11 101.59 13.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.313 -0.403 . . . . 4.41 110.101 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -121.04 121.87 38.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.933 0.396 . . . . 1.49 110.536 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.2 m -106.82 127.95 53.84 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.002 -0.545 . . . . 1.56 110.516 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -112.24 157.84 20.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.201 -0.454 . . . . 2.93 110.3 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.453 ' SG ' HG23 ' A' ' 82' ' ' THR . 70.6 m -79.39 125.15 29.16 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.239 -0.437 . . . . 1.77 110.363 179.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.51 ' NE ' ' HB ' ' A' ' 18' ' ' VAL . 87.3 mtt180 -81.51 88.68 6.16 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.936 -0.394 . . . . 3.84 109.936 176.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 60.28 86.91 0.09 Allowed 'General case' 0 C--O 1.233 0.201 0 O-C-N 123.87 0.731 . . . . 2.96 110.308 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.6 m -52.69 135.79 34.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.662 -0.699 . . . . 3.02 111.546 -176.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 70.97 81.46 0.18 Allowed Pre-proline 0 C--O 1.234 0.258 0 CA-C-N 115.375 -0.83 . . . . 2.59 110.312 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.51 -27.08 81.63 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.007 2.471 . . . . 2.81 112.95 -177.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 36.0 m -117.78 159.49 17.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.829 0.347 . . . . 2.53 110.113 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -70.43 -8.93 54.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 4.19 111.687 -173.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.7 m -105.26 16.08 26.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.029 0.442 . . . . 4.07 110.591 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.97 -106.33 2.57 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.837 -0.697 . . . . 2.7 111.886 178.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 85.2 m -110.62 145.83 37.22 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.969 0.414 . . . . 1.76 110.387 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 45.2 ttm180 -67.5 119.2 11.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.663 -0.699 . . . . 4.4 111.185 -173.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 111.89 -27.18 10.59 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.719 -0.753 . . . . 1.61 112.575 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.9 mm -74.67 134.43 29.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.812 0.339 . . . . 2.04 111.325 -177.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -70.28 115.03 9.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 3.32 109.801 175.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.8 p -85.79 6.46 27.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.102 -0.499 . . . . 4.99 112.204 -173.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -96.14 -44.06 7.47 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.777 0.322 . . . . 3.32 110.21 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -90.96 -30.34 16.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.983 -0.553 . . . . 4.16 110.741 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.454 ' CE3' ' HB3' ' A' ' 112' ' ' LEU . 98.8 m95 -127.85 156.4 42.61 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.916 -0.584 . . . . 3.71 110.774 -177.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.541 ' OD1' ' HB3' ' A' ' 113' ' ' SER . 3.0 p-10 -125.28 141.3 52.16 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 107.782 -1.192 . . . . 3.0 107.782 165.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.528 ' HA ' ' O ' ' A' ' 111' ' ' VAL . 8.4 t -134.75 144.39 47.68 Favored 'General case' 0 C--N 1.315 -0.904 0 C-N-CA 120.676 -0.41 . . . . 2.16 110.639 -174.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -144.39 150.35 37.59 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.775 -0.648 . . . . 4.07 110.19 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.695 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 44.5 m -79.59 121.34 25.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.28 -0.873 . . . . 1.67 110.842 -176.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 46.6 m -131.25 131.04 43.62 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.884 -0.598 . . . . 2.49 109.793 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.464 ' HB ' ' HB3' ' A' ' 105' ' ' ASP . 6.3 p -73.98 121.24 20.72 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 121.007 0.432 . . . . 3.09 110.917 177.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.4 t -79.1 138.97 38.17 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 121.256 0.551 . . . . 3.17 110.083 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -103.49 126.65 50.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.562 -0.745 . . . . 4.4 109.969 -173.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.498 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 13.8 t -117.35 158.03 25.12 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.007 -0.738 . . . . 1.61 109.007 177.005 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -104.66 115.98 31.27 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.919 -0.401 . . . . 2.52 109.919 -177.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.487 ' O ' ' HA ' ' A' ' 101' ' ' PHE . 17.3 m -111.17 147.22 15.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.313 0.578 . . . . 1.59 111.562 -176.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.453 ' HD2' ' HB3' ' B' ' 51' ' ' GLN . 36.8 pttt -80.55 100.89 8.82 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.726 -1.125 . . . . 4.22 110.855 -179.277 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.62 148.27 50.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.715 -0.675 . . . . 1.57 110.71 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.6 tp -75.38 112.0 11.25 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.474 -0.565 . . . . 1.87 109.474 176.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.448 HG23 ' HA ' ' A' ' 38' ' ' VAL . 73.7 p -129.06 159.75 34.96 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.165 -0.47 . . . . 1.44 109.953 -178.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.456 ' CG2' ' HB ' ' A' ' 37' ' ' THR . 9.6 t -121.13 122.12 39.33 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.231 0.539 . . . . 1.63 109.947 176.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -80.18 -22.06 42.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.799 -0.637 . . . . 2.47 110.586 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -163.33 -67.15 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.913 -0.585 . . . . 3.09 110.225 -178.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -121.03 -54.13 2.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.997 0.427 . . . . 3.75 111.266 -177.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -78.61 151.25 32.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.15 -0.477 . . . . 3.02 111.265 -175.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.5 127.95 49.33 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.622 -0.717 . . . . 1.8 109.759 176.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -136.48 147.26 47.07 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.783 0.325 . . . . 1.79 110.942 -177.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -78.05 94.57 4.68 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.599 -0.519 . . . . 2.88 109.599 177.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.476 ' HB3' ' OD1' ' A' ' 30' ' ' ASP . 13.9 mmm180 -104.95 161.57 14.09 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.322 -0.854 . . . . 3.92 110.298 -174.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.487 ' HA ' ' O ' ' A' ' 87' ' ' VAL . 90.4 m-85 -98.85 110.2 22.84 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.635 -0.505 . . . . 2.74 109.635 176.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 28.7 pt -113.33 147.1 17.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.06 -0.518 . . . . 1.33 110.904 -174.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.498 ' HA ' ' O ' ' A' ' 85' ' ' THR . 1.3 ptm180 -78.39 115.31 18.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.439 0.638 . . . . 4.27 111.617 -178.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 45.0 pt -116.06 150.1 18.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 109.163 -0.68 . . . . 1.36 109.163 170.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.464 ' HB3' ' HB ' ' A' ' 82' ' ' THR . 5.5 m-20 -84.28 107.33 16.52 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.917 -0.771 . . . . 1.69 108.917 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.7 t -94.16 -25.05 17.28 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.539 0.57 . . . . 2.66 112.539 -168.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -158.76 160.54 36.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.636 0.255 . . . . 1.64 110.957 -176.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.695 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 51.0 t -107.73 115.14 29.6 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.108 -0.701 . . . . 1.59 109.108 178.044 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 24.6 m -116.01 146.42 20.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.893 0.378 . . . . 1.52 111.033 -174.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.473 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 69.5 m -89.3 112.4 23.46 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.15 -0.477 . . . . 1.45 109.978 175.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.528 ' O ' ' HA ' ' A' ' 78' ' ' SER . 27.0 m -89.59 144.76 8.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.106 -0.497 . . . . 2.0 110.308 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.454 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . 84.3 mt -106.49 139.18 41.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.944 0.402 . . . . 1.86 111.256 -178.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.541 ' HB3' ' OD1' ' A' ' 77' ' ' ASN . 20.3 t -132.22 146.59 52.11 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.875 -0.602 . . . . 3.01 109.387 173.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.455 ' O ' ' HG3' ' A' ' 114' ' ' ARG . 20.6 tpp180 -76.26 7.47 4.25 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.08 -0.509 . . . . 7.46 111.523 -174.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt 63.37 32.58 14.48 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.357 0.599 . . . . 4.91 110.126 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -148.19 136.03 20.92 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.661 -0.7 . . . . 4.73 110.309 -177.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.5 p -88.19 153.73 21.0 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.201 -0.454 . . . . 6.02 110.81 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.957 0 N-CA-C 108.506 -0.924 . . . . 9.37 108.506 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.474 0.746 0 CA-C-O 121.036 0.446 . . . . 14.21 110.629 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 12.9 p -143.1 136.24 28.08 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.091 -0.504 . . . . 12.86 110.094 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 14.9 t -159.31 158.08 31.72 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.865 -0.42 . . . . 11.6 109.865 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -140.28 79.08 21.95 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-O 120.912 0.387 . . . . 10.95 111.127 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . 0.419 ' C ' ' H ' ' B' ' 7' ' ' PHE . 11.9 Cg_exo -70.44 64.53 2.2 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 123.099 2.533 . . . . 8.15 111.478 176.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 27.6 t 72.06 -12.05 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 CA-C-N 115.291 -0.868 . . . . 7.04 111.278 -178.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.419 ' H ' ' C ' ' B' ' 5' ' ' PRO . 54.3 m-85 -76.8 20.73 0.23 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.208 0.528 . . . . 7.83 111.805 -177.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -153.6 21.42 0.54 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 107.8 -1.185 . . . . 8.41 107.8 171.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 54.4 mtp -131.42 -40.8 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.749 -1.114 . . . . 5.62 109.698 -175.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -129.05 38.22 2.06 Favored Glycine 0 N--CA 1.444 -0.794 0 CA-C-N 115.592 -0.731 . . . . 4.39 112.112 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.41 28.94 7.62 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.219 0.533 . . . . 4.62 110.791 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -73.73 120.33 19.17 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.664 -0.698 . . . . 4.01 109.747 177.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 41.7 p -77.54 144.04 37.93 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.039 -0.528 . . . . 2.58 110.305 -178.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.5 m -61.75 -20.06 22.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 115.911 -0.586 . . . . 1.81 111.897 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.471 ' HB2' ' SG ' ' B' ' 110' ' ' CYS . 28.1 t -142.94 150.48 39.8 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.874 -0.787 . . . . 1.75 108.874 177.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -82.61 138.96 34.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.143 0.497 . . . . 2.87 110.789 -179.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 28.4 p -138.61 150.75 46.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.902 -0.59 . . . . 1.91 111.11 -175.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.503 ' HB ' ' NE ' ' B' ' 59' ' ' ARG . 4.4 p -123.42 117.99 53.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.046 -0.525 . . . . 1.88 110.456 176.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 50.5 m -93.57 124.37 37.52 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.236 -0.438 . . . . 1.95 110.519 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 69.4 t -119.54 137.92 51.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.269 -0.423 . . . . 1.55 110.682 -177.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . 0.444 ' HA ' ' O ' ' B' ' 53' ' ' PHE . 95.3 m95 -96.78 96.46 8.59 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.279 -0.637 . . . . 1.86 109.279 173.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 48.0 t -77.1 121.31 29.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.578 -0.737 . . . . 1.41 110.048 -178.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.53 8.02 32.26 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.525 -0.845 . . . . 1.36 112.444 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -147.98 46.67 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 3.01 111.065 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -71.31 132.06 44.34 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.275 -0.639 . . . . 1.64 109.275 177.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 14.1 t -104.1 -33.79 8.63 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.173 0.435 . . . . 2.11 112.173 -172.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.7 p -141.07 148.49 40.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.922 0.391 . . . . 1.53 111.45 -178.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -149.52 170.17 19.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.788 -0.642 . . . . 1.29 110.273 175.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 31.2 m -108.05 119.43 39.45 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.171 -0.468 . . . . 1.52 110.336 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . 0.477 ' OD1' ' HB3' ' B' ' 100' ' ' ARG . 19.1 t70 -68.65 159.71 31.57 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.483 -0.78 . . . . 1.84 109.659 177.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 16.0 tt -58.94 -21.14 18.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-N 116.335 -0.393 . . . . 1.74 111.679 -178.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -83.14 -9.35 59.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.401 -0.363 . . . . 2.65 110.978 178.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.99 16.96 36.6 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.798 -0.715 . . . . 1.25 112.478 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -94.22 140.23 30.03 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.509 0.195 . . . . 2.58 110.856 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -85.17 115.45 22.97 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.012 -0.736 . . . . 2.19 109.012 173.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -118.09 150.97 20.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 116.14 -0.482 . . . . 1.48 111.08 -175.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' THR . . . . . 0.455 ' HB ' ' CG2' ' B' ' 92' ' ' THR . 16.1 m -82.8 118.36 23.34 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.391 -0.822 . . . . 1.5 109.533 178.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.442 ' HA ' HG23 ' B' ' 91' ' ' THR . 98.3 t -82.66 135.99 23.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 116.098 -0.501 . . . . 1.55 110.563 -176.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 65.5 mt -104.77 105.75 15.96 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.38 -0.6 . . . . 1.91 109.38 177.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.49 -28.46 69.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.452 0.644 . . . . 2.34 109.819 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -106.58 126.41 52.23 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.998 -1.001 . . . . 3.59 108.674 174.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 28.0 m -88.97 122.44 40.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-O 121.45 0.643 . . . . 2.85 110.453 -176.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -86.74 98.29 11.07 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.297 -0.865 . . . . 3.25 110.136 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 77.4 mt -116.82 148.67 19.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 108.249 -1.019 . . . . 2.98 108.249 176.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -58.53 109.35 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.666 0.27 . . . . 3.91 110.609 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 70.49 28.35 3.69 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.221 -0.9 . . . . 5.31 110.994 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 71.6 m -157.65 114.36 2.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.789 0.328 . . . . 3.54 110.837 175.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 54.2 t -132.43 116.05 27.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.832 -0.433 . . . . 2.78 109.832 176.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -149.66 157.22 43.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.797 0.332 . . . . 4.84 110.945 -178.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -84.35 125.24 32.11 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.777 -0.647 . . . . 5.38 111.122 -176.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . 0.453 ' HB3' ' HD2' ' A' ' 88' ' ' LYS . 15.9 mm100 -112.85 100.59 8.78 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.687 -0.688 . . . . 5.18 109.96 179.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -67.53 167.92 11.96 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 120.971 0.415 . . . . 2.96 111.698 -173.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . 0.444 ' O ' ' HA ' ' B' ' 21' ' ' TRP . 79.9 m-85 -124.88 136.77 54.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.9 -0.591 . . . . 1.28 110.749 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -94.28 101.75 13.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.311 -0.404 . . . . 4.41 110.012 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -121.2 121.73 38.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.89 0.376 . . . . 1.49 110.534 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 61.4 m -106.61 128.15 53.92 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.982 -0.554 . . . . 1.57 110.501 -178.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -112.34 157.69 20.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.232 -0.44 . . . . 2.93 110.35 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' CYS . . . . . 0.468 ' SG ' HG23 ' B' ' 82' ' ' THR . 68.9 m -79.25 125.42 29.45 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.3 -0.409 . . . . 1.77 110.33 179.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . 0.503 ' NE ' ' HB ' ' B' ' 18' ' ' VAL . 87.3 mtt180 -81.95 88.91 6.35 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.87 -0.419 . . . . 3.85 109.87 176.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . 59.92 87.15 0.09 Allowed 'General case' 0 C--O 1.233 0.206 0 O-C-N 123.76 0.662 . . . . 2.96 110.238 -176.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 39.8 m -52.38 135.99 32.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.46 -0.791 . . . . 3.01 111.353 -176.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 70.52 81.5 0.19 Allowed Pre-proline 0 C--O 1.232 0.182 0 CA-C-N 115.357 -0.838 . . . . 2.59 110.233 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -61.26 -27.3 83.21 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 122.866 2.377 . . . . 2.81 112.99 -177.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 35.4 m -117.69 159.75 17.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.992 -0.373 . . . . 2.53 109.992 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -70.83 -8.76 54.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.119 -0.491 . . . . 4.2 111.663 -173.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 19.5 m -105.53 16.51 25.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.096 0.474 . . . . 4.07 110.583 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.51 -106.19 2.6 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.879 -0.677 . . . . 2.7 112.077 178.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 85.0 m -110.73 145.71 37.57 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.789 0.328 . . . . 1.76 110.452 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 45.2 ttm180 -67.15 119.25 11.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.696 -0.683 . . . . 4.4 111.26 -173.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 111.8 -27.22 10.61 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.671 -0.776 . . . . 1.61 112.632 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 48.6 mm -74.78 134.17 30.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.672 0.272 . . . . 2.04 111.219 -177.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -70.0 115.25 8.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 3.32 109.866 175.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 5.2 p -86.14 6.95 26.87 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.116 -0.493 . . . . 4.99 112.134 -173.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -96.82 -43.4 7.52 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.813 0.339 . . . . 3.33 110.362 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 -91.29 -30.57 16.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.95 -0.568 . . . . 4.16 110.753 179.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' TRP . . . . . 0.446 ' CE3' ' HB3' ' B' ' 112' ' ' LEU . 98.7 m95 -127.88 156.23 42.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.955 -0.566 . . . . 3.7 110.79 -177.047 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' ASN . . . . . 0.529 ' OD1' ' HB3' ' B' ' 113' ' ' SER . 3.0 p-10 -125.32 141.15 52.24 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 107.682 -1.229 . . . . 3.0 107.682 165.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.549 ' HA ' ' O ' ' B' ' 111' ' ' VAL . 8.4 t -134.57 144.45 47.96 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.757 -0.377 . . . . 2.16 110.564 -174.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -144.4 150.59 37.97 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.778 -0.646 . . . . 4.07 110.082 175.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . 0.694 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 45.2 m -79.72 121.45 25.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.282 -0.872 . . . . 1.67 110.71 -176.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 47.4 m -131.32 130.71 43.07 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.879 -0.601 . . . . 2.49 109.864 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.469 ' HB ' ' HB3' ' B' ' 105' ' ' ASP . 6.6 p -73.71 120.89 19.94 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-O 120.99 0.424 . . . . 3.09 110.957 177.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 9.7 t -79.03 139.14 38.23 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-O 121.275 0.559 . . . . 3.17 109.934 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 27.7 m-70 -103.61 126.68 50.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.459 -0.791 . . . . 4.39 110.012 -173.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' THR . . . . . 0.5 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 13.9 t -117.39 157.79 25.58 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.085 -0.709 . . . . 1.61 109.085 176.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.404 ' HB3' ' HB3' ' B' ' 101' ' ' PHE . 86.9 m-85 -104.5 116.01 31.35 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.022 0.439 . . . . 2.52 109.977 -177.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' B' ' 101' ' ' PHE . 17.4 m -111.12 146.96 15.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.384 0.611 . . . . 1.59 111.672 -176.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . 0.453 ' HD2' ' HB3' ' A' ' 51' ' ' GLN . 36.9 pttt -80.22 100.89 8.54 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.724 -1.126 . . . . 4.22 111.038 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.63 148.34 50.79 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.701 -0.681 . . . . 1.57 110.69 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 21.7 tp -75.6 112.0 11.5 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.431 -0.581 . . . . 1.87 109.431 176.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' THR . . . . . 0.442 HG23 ' HA ' ' B' ' 38' ' ' VAL . 72.1 p -128.98 159.62 35.3 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.012 -0.54 . . . . 1.44 109.921 -178.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' THR . . . . . 0.455 ' CG2' ' HB ' ' B' ' 37' ' ' THR . 10.1 t -121.1 122.26 39.66 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.334 0.588 . . . . 1.63 109.993 176.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -80.46 -21.67 41.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.799 -0.637 . . . . 2.46 110.49 -178.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -163.63 -67.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.163 -0.472 . . . . 3.09 110.216 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -120.99 -53.68 2.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.314 -0.403 . . . . 3.76 111.588 -178.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -79.02 151.69 31.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.14 -0.482 . . . . 3.02 111.267 -175.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.95 127.7 50.06 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.897 -0.592 . . . . 1.8 109.715 176.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -136.1 147.09 47.65 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.918 0.39 . . . . 1.79 110.988 -177.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -77.71 95.06 4.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.304 0.573 . . . . 2.87 109.57 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' ARG . . . . . 0.477 ' HB3' ' OD1' ' B' ' 30' ' ' ASP . 13.8 mmm180 -105.4 161.54 14.23 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.286 -0.87 . . . . 3.93 110.321 -174.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.489 ' HA ' ' O ' ' B' ' 87' ' ' VAL . 90.2 m-85 -98.71 110.18 22.82 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.698 -0.482 . . . . 2.75 109.698 175.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 28.9 pt -113.39 147.04 17.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.961 -0.563 . . . . 1.33 111.008 -174.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.5 ' HA ' ' O ' ' B' ' 85' ' ' THR . 1.2 ptm180 -78.33 115.22 17.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.445 0.641 . . . . 4.28 111.564 -177.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 44.8 pt -116.02 150.1 18.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 N-CA-C 109.152 -0.684 . . . . 1.36 109.152 170.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . 0.469 ' HB3' ' HB ' ' B' ' 82' ' ' THR . 6.0 m-20 -84.33 107.26 16.51 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 109.016 -0.735 . . . . 1.69 109.016 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 9.8 t -94.08 -24.99 17.36 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.525 0.565 . . . . 2.65 112.525 -168.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . 0.427 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -158.77 160.5 36.38 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 121.054 -0.258 . . . . 1.64 110.934 -177.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . 0.694 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 50.2 t -107.63 115.16 29.65 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.21 -0.663 . . . . 1.6 109.21 177.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 24.5 m -115.99 146.15 20.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.839 0.352 . . . . 1.53 111.067 -174.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . 0.471 ' SG ' ' HB2' ' B' ' 15' ' ' CYS . 69.5 m -88.97 112.51 23.44 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.291 -0.413 . . . . 1.45 109.997 175.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.549 ' O ' ' HA ' ' B' ' 78' ' ' SER . 27.1 m -89.78 144.76 8.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.162 -0.472 . . . . 2.0 110.344 -179.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . 0.446 ' HB3' ' CE3' ' B' ' 76' ' ' TRP . 83.8 mt -106.3 139.11 41.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.911 0.386 . . . . 1.86 111.264 -178.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' SER . . . . . 0.529 ' HB3' ' OD1' ' B' ' 77' ' ' ASN . 20.1 t -132.16 146.44 52.03 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.922 -0.581 . . . . 3.01 109.459 173.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' B' ' 114' ' ' ARG . 20.3 tpp180 -76.19 7.64 4.03 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.24 -0.437 . . . . 7.45 111.397 -174.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 49.2 mtpt 63.14 32.56 15.07 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.218 0.532 . . . . 4.91 110.21 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -147.82 136.57 21.86 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.707 -0.679 . . . . 4.74 110.142 -178.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 8.9 p -88.84 154.1 20.53 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.261 -0.427 . . . . 6.02 110.788 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.816 0 N-CA-C 108.557 -0.905 . . . . 9.38 108.557 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.4 m . . . . . 0 N--CA 1.475 0.815 0 CA-C-O 120.881 0.372 . . . . 14.21 110.779 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 p -126.79 -61.72 1.16 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.052 0.454 . . . . 12.85 110.07 176.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.6 p -92.27 -30.97 15.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.886 -0.597 . . . . 11.6 110.421 176.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.4 t60 -118.32 115.24 36.12 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.649 -0.705 . . . . 10.94 110.031 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -75.63 116.34 4.44 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.308 2.005 . . . . 8.15 111.671 178.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.6 t -90.64 63.84 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.639 0.733 . . . . 7.04 109.876 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -90.75 -19.98 22.92 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.911 -0.586 . . . . 7.84 110.906 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 50.0 t60 -72.64 -3.91 27.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.454 0.645 . . . . 8.41 110.258 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 74.7 mtm -137.79 30.67 2.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.652 -0.703 . . . . 5.62 109.181 172.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -142.62 -36.03 0.09 OUTLIER Glycine 0 N--CA 1.453 -0.23 0 CA-C-N 115.318 -0.855 . . . . 4.39 112.365 -178.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -96.81 38.43 1.22 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.205 0.526 . . . . 4.63 110.384 177.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -110.68 100.72 9.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.76 -0.655 . . . . 4.02 110.145 178.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.4 t -90.21 156.49 18.28 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.593 -0.731 . . . . 2.58 110.31 -178.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.4 m -75.47 -17.78 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.593 -0.731 . . . . 1.8 111.031 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.64 ' HB2' ' SG ' ' A' ' 110' ' ' CYS . 42.0 t -133.27 152.37 51.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.954 -0.566 . . . . 1.75 109.936 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -94.89 115.65 27.73 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.762 -0.459 . . . . 2.87 109.762 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.481 ' OG ' ' HB3' ' A' ' 108' ' ' CYS . 17.9 m -122.65 160.63 25.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.041 -0.527 . . . . 1.91 111.246 -173.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.404 ' HB ' ' HD2' ' A' ' 59' ' ' ARG . 3.5 p -126.05 116.12 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.939 0.4 . . . . 1.88 110.698 175.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.5 m -94.85 121.14 36.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.364 -0.38 . . . . 1.95 110.184 177.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.3 t -119.29 138.1 51.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.042 -0.526 . . . . 1.55 110.446 -177.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -95.37 95.81 8.71 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.873 -0.788 . . . . 1.86 108.873 173.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.442 HG23 ' OE2' ' A' ' 55' ' ' GLU . 85.2 t -88.76 122.7 40.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.13 -0.941 . . . . 1.41 111.355 -173.097 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.87 24.68 7.83 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 110.844 -0.902 . . . . 1.36 110.844 173.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -130.44 15.65 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 3.02 111.35 -178.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.426 ' HZ3' ' CD ' ' A' ' 55' ' ' GLU . 24.6 ttmm -70.43 127.31 32.28 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.674 -0.491 . . . . 1.64 109.674 179.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.5 t -103.07 -30.71 10.58 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.834 0.309 . . . . 2.12 111.834 -175.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.5 p -138.98 142.26 38.36 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.956 0.407 . . . . 1.54 111.778 -178.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.95 167.62 22.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.715 -0.675 . . . . 1.29 110.096 177.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.3 m -108.79 118.94 38.09 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.889 0.376 . . . . 1.53 110.776 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -66.86 165.68 14.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.616 -0.72 . . . . 1.85 110.547 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.469 ' HA ' ' CE1' ' A' ' 86' ' ' PHE . 14.5 tt -59.22 -29.84 42.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.805 0.336 . . . . 1.74 111.297 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -76.96 -11.48 59.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.843 0.354 . . . . 2.65 110.844 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.33 17.78 30.57 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.984 -0.626 . . . . 1.25 112.397 178.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -95.16 138.82 32.35 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.627 0.251 . . . . 2.58 110.647 -178.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -82.53 115.41 21.5 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.539 -0.541 . . . . 2.19 109.539 175.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.0 m -115.94 152.27 17.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.098 -0.501 . . . . 1.48 110.897 -177.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.471 ' HB ' HG22 ' A' ' 92' ' ' THR . 30.9 m -88.63 121.82 31.41 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 115.592 -0.731 . . . . 1.5 109.333 177.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.464 ' HA ' HG23 ' A' ' 91' ' ' THR . 98.7 t -81.24 130.35 36.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.807 -0.633 . . . . 1.55 110.869 -175.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 75.9 mt -100.01 94.42 6.26 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.997 -0.547 . . . . 1.91 109.527 177.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.511 ' O ' ' HA ' ' A' ' 50' ' ' ARG . . . -60.54 -35.45 76.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.362 0.601 . . . . 2.35 109.619 178.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.438 ' HG2' ' HG2' ' A' ' 50' ' ' ARG . 23.9 mt-10 -106.66 115.27 29.9 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.06 -0.973 . . . . 3.59 108.725 175.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 22.5 m -99.65 140.48 18.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.896 0.379 . . . . 2.85 110.977 -175.052 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -112.45 99.3 7.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.995 -0.548 . . . . 3.25 110.016 178.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 54.4 mt -105.29 86.92 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.801 -0.444 . . . . 2.98 109.801 178.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.4 ' N ' HD21 ' A' ' 45' ' ' ASN . 0.9 OUTLIER 66.99 -77.78 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.543 -0.753 . . . . 3.91 110.933 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -133.72 2.13 3.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.482 -0.326 . . . . 5.31 110.516 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.1 m -107.94 115.32 29.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.85 0.357 . . . . 3.53 110.366 -178.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.526 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 38.7 t -116.0 125.6 73.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.897 -0.592 . . . . 2.78 110.148 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -145.7 165.48 28.63 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.205 -0.294 . . . . 4.85 110.205 176.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.511 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 95.5 mtt180 -106.24 136.54 45.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.229 -0.442 . . . . 5.38 111.284 -177.294 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -110.66 145.17 38.41 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.715 -0.675 . . . . 5.18 109.8 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -119.0 154.44 33.07 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.251 -0.277 . . . . 2.96 110.251 -178.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -121.41 127.52 51.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.207 -0.452 . . . . 1.28 110.711 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -84.86 103.27 13.78 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.228 0.537 . . . . 4.41 110.327 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.442 ' OE2' HG23 ' A' ' 22' ' ' VAL . 27.0 mt-10 -107.92 113.45 26.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.259 -0.428 . . . . 1.49 110.31 179.086 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 36.5 m -97.22 103.42 15.35 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.071 -0.513 . . . . 1.56 109.624 176.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -103.05 154.27 19.43 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.677 -0.692 . . . . 2.93 110.828 -174.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.49 ' SG ' HG21 ' A' ' 82' ' ' THR . 79.5 m -80.96 110.49 16.55 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.643 -0.708 . . . . 1.77 110.9 -179.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.404 ' HD2' ' HB ' ' A' ' 18' ' ' VAL . 17.1 ptm180 -99.32 17.13 20.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.518 0.675 . . . . 3.84 109.371 174.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -167.21 173.2 9.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.653 -1.158 . . . . 2.96 108.81 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.602 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 29.7 t -148.74 -31.5 0.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.135 0.493 . . . . 3.02 110.618 177.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -140.27 76.85 25.61 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 108.818 -0.808 . . . . 2.59 108.818 176.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.15 -42.57 52.89 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.485 2.79 . . . . 2.81 113.682 -171.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.1 m -84.08 -55.37 7.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 112.142 0.423 . . . . 2.53 112.142 -176.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.555 ' HG3' ' H ' ' A' ' 66' ' ' SER . 7.2 pt-20 -168.8 -68.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.79 -0.187 . . . . 4.19 111.418 -177.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.555 ' H ' ' HG3' ' A' ' 65' ' ' GLU . 15.6 m -123.26 -9.7 8.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.832 0.349 . . . . 4.07 111.451 -176.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -136.67 -170.37 11.93 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.765 -0.731 . . . . 2.7 111.901 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 85.0 m -101.85 71.47 1.3 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.933 0.397 . . . . 1.76 111.394 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 70.93 -72.78 0.11 Allowed 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.182 -0.917 . . . . 4.4 112.254 171.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.24 -17.31 32.2 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.514 -0.85 . . . . 1.61 112.83 -176.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.521 HG23 ' OG ' ' A' ' 78' ' ' SER . 44.5 mm -65.52 124.83 21.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.894 0.347 . . . . 2.04 111.215 -176.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -68.53 106.13 2.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.005 -0.543 . . . . 3.32 109.86 174.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.3 p -70.26 -12.53 61.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.882 -0.599 . . . . 4.99 112.024 -174.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -80.74 -32.4 35.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.896 0.379 . . . . 3.32 110.628 -178.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -99.16 -30.43 12.29 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.377 -0.374 . . . . 4.16 110.928 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -126.96 140.04 52.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.228 0.537 . . . . 3.71 111.896 -176.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.509 ' HB3' ' HB3' ' A' ' 113' ' ' SER . 4.3 t-20 -93.89 134.47 36.22 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.938 -1.134 . . . . 3.0 107.938 169.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.521 ' OG ' HG23 ' A' ' 71' ' ' ILE . 16.6 m -127.09 138.94 53.29 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.104 0.478 . . . . 2.16 111.588 -176.355 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -153.43 141.95 20.79 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.364 -0.835 . . . . 4.07 109.648 172.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.79 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 79.9 m -81.84 123.05 28.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.599 -0.728 . . . . 1.67 110.783 -176.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.3 m -128.74 137.94 51.84 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.781 -0.645 . . . . 2.49 109.55 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.49 HG21 ' SG ' ' A' ' 58' ' ' CYS . 12.4 p -84.19 122.34 28.72 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 121.025 0.441 . . . . 3.09 111.45 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.0 m -76.52 134.37 39.48 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 108.96 -0.756 . . . . 3.17 108.96 174.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.475 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 72.6 m80 -106.27 122.15 45.65 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.763 0.316 . . . . 4.4 110.602 -176.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.704 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 3.3 t -109.09 162.16 14.51 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.598 -0.519 . . . . 1.61 109.598 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.469 ' CE1' ' HA ' ' A' ' 31' ' ' ILE . 77.5 m-85 -103.76 117.28 34.0 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.061 -0.348 . . . . 2.52 110.061 -178.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 20.6 m -109.22 138.62 35.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.315 0.578 . . . . 1.59 111.484 -176.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 17.2 pttp -69.41 103.01 1.9 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.992 -1.004 . . . . 4.22 110.914 178.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.32 138.98 50.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.331 -0.849 . . . . 1.57 111.213 -178.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.8 tp -73.8 107.48 6.07 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.992 -0.744 . . . . 1.87 108.992 173.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.464 HG23 ' HA ' ' A' ' 38' ' ' VAL . 77.0 p -131.14 162.8 29.1 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.121 -0.49 . . . . 1.44 109.781 -177.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.471 HG22 ' HB ' ' A' ' 37' ' ' THR . 4.6 t -117.33 120.5 38.38 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.232 0.539 . . . . 1.63 110.383 179.086 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -77.84 -9.73 59.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.837 -0.619 . . . . 2.47 110.639 178.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -162.26 -78.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.08 -0.509 . . . . 3.09 109.882 177.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -143.05 26.79 1.66 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.084 0.469 . . . . 3.75 110.326 178.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -133.02 117.56 17.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.705 -0.68 . . . . 3.02 109.733 -178.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.72 113.5 15.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.905 0.383 . . . . 1.8 110.865 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -130.82 146.58 52.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.124 -0.489 . . . . 1.79 110.353 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -76.49 101.81 5.77 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.097 0.475 . . . . 2.88 109.864 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.417 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 39.2 mmt180 -105.41 177.57 4.81 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.554 -0.748 . . . . 3.92 110.05 -177.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.429 ' HB3' ' HB3' ' A' ' 86' ' ' PHE . 74.6 m-85 -119.5 107.67 13.59 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.687 -0.857 . . . . 2.74 108.687 174.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 35.3 pt -111.56 143.37 21.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.983 0.421 . . . . 1.33 111.246 -171.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.704 ' HA ' ' O ' ' A' ' 85' ' ' THR . 20.4 ptp180 -82.81 125.02 30.84 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.723 -0.671 . . . . 4.27 111.229 -174.115 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' A' ' 84' ' ' HIS . 46.2 pt -126.96 154.97 37.66 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 CA-C-N 115.698 -0.683 . . . . 1.36 110.663 177.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -67.18 105.14 1.62 Allowed 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.615 -0.72 . . . . 1.69 109.263 175.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.2 m -90.97 -48.44 6.99 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.164 -0.471 . . . . 2.66 111.446 -171.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.434 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -148.13 147.56 29.63 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.075 -0.511 . . . . 1.64 110.38 -178.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.79 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 40.4 t -102.14 109.62 21.36 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.131 -0.692 . . . . 1.59 109.131 177.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.3 m -113.84 143.7 22.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.146 -0.479 . . . . 1.52 111.545 -172.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.64 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 88.5 m -80.03 104.45 10.61 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.894 -0.593 . . . . 1.45 109.492 172.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 32.0 m -89.33 147.29 5.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.533 -0.543 . . . . 2.0 109.533 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.7 mt -102.02 138.94 38.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.428 0.632 . . . . 1.86 110.911 -175.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.509 ' HB3' ' HB3' ' A' ' 77' ' ' ASN . 15.1 t -128.32 153.5 46.94 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.262 -0.881 . . . . 3.01 109.641 177.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -77.57 8.89 3.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.5 . . . . 7.46 111.831 -175.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp 68.33 39.22 2.31 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.567 0.542 . . . . 4.91 110.113 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -137.87 169.97 16.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.58 -0.736 . . . . 4.73 110.149 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.2 p -141.07 -177.3 5.04 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.5 -0.318 . . . . 6.02 110.356 178.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.47 -0.776 . . . . 9.37 110.128 179.441 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 37.6 m . . . . . 0 N--CA 1.477 0.913 0 CA-C-O 120.828 0.347 . . . . 14.21 111.001 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 21.1 p -126.49 -62.3 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.976 0.417 . . . . 12.86 110.04 176.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 9.9 p -91.6 -31.47 15.88 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.259 0.552 . . . . 11.6 110.449 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -118.04 115.12 36.75 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.665 -0.698 . . . . 10.95 110.026 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -75.42 116.14 4.43 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.372 2.048 . . . . 8.15 111.753 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 19.1 t -90.21 63.01 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.567 0.698 . . . . 7.04 110.165 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -90.26 -20.2 23.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.948 -0.569 . . . . 7.83 110.913 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -72.59 -3.99 28.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.424 0.631 . . . . 8.41 110.119 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 74.4 mtm -137.77 31.35 2.51 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.579 -0.737 . . . . 5.62 109.039 172.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -143.04 -36.29 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.193 0 CA-C-N 115.341 -0.845 . . . . 4.39 112.327 -178.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -96.47 37.78 1.25 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.253 0.549 . . . . 4.62 110.39 178.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -110.29 100.78 9.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.856 -0.611 . . . . 4.01 110.167 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 34.5 t -90.31 156.58 18.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.502 -0.772 . . . . 2.58 110.255 -178.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 29.3 m -75.59 -17.55 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.486 -0.779 . . . . 1.81 111.126 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.645 ' HB2' ' SG ' ' B' ' 110' ' ' CYS . 42.0 t -133.57 152.13 51.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.928 -0.578 . . . . 1.75 109.92 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -94.73 115.7 27.84 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.735 -0.469 . . . . 2.87 109.735 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.481 ' OG ' ' HB3' ' B' ' 108' ' ' CYS . 17.6 m -122.31 161.3 23.62 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.091 -0.504 . . . . 1.91 111.164 -173.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 p -126.62 116.09 43.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.308 -0.405 . . . . 1.88 110.693 175.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.409 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 51.1 m -94.73 121.18 36.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.115 0.483 . . . . 1.95 110.328 177.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 48.2 t -119.28 138.01 51.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.994 -0.548 . . . . 1.55 110.408 -177.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -95.22 95.93 8.85 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.892 -0.781 . . . . 1.86 108.892 173.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.433 HG23 ' OE2' ' B' ' 55' ' ' GLU . 90.2 t -88.81 122.64 40.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.168 -0.924 . . . . 1.41 111.354 -173.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.83 24.55 7.89 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 110.926 -0.87 . . . . 1.36 110.926 173.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -129.86 14.8 5.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.783 -0.208 . . . . 3.01 111.551 -178.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.43 ' HZ3' ' CD ' ' B' ' 55' ' ' GLU . 24.6 ttmm -69.53 127.42 32.94 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.761 -0.459 . . . . 1.64 109.761 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 10.8 t -103.17 -30.69 10.54 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.803 0.297 . . . . 2.11 111.803 -175.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.4 p -139.12 142.57 38.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.039 0.447 . . . . 1.53 111.568 -178.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -145.29 167.69 22.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.743 -0.662 . . . . 1.29 110.058 177.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 18.7 m -108.84 118.7 37.46 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.818 0.342 . . . . 1.52 110.749 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -66.74 165.51 14.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.593 -0.73 . . . . 1.84 110.72 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.468 ' HA ' ' CE1' ' B' ' 86' ' ' PHE . 14.3 tt -59.07 -29.68 41.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.875 0.369 . . . . 1.74 111.408 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -77.15 -11.52 59.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.096 0.474 . . . . 2.65 110.823 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.13 18.37 29.29 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.886 -0.673 . . . . 1.25 112.233 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -95.57 138.69 32.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.682 0.277 . . . . 2.58 110.674 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -82.2 115.61 21.37 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.612 -0.514 . . . . 2.19 109.612 175.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 35.0 m -116.01 152.5 17.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 121.041 0.448 . . . . 1.48 110.804 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' THR . . . . . 0.461 ' HB ' HG22 ' B' ' 92' ' ' THR . 31.1 m -88.71 121.78 31.44 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.62 -0.718 . . . . 1.5 109.306 176.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.469 ' HA ' HG23 ' B' ' 91' ' ' THR . 99.0 t -81.31 130.15 36.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 115.79 -0.641 . . . . 1.55 110.984 -175.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 77.3 mt -99.88 94.49 6.34 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.45 -0.574 . . . . 1.91 109.45 178.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.515 ' O ' ' HA ' ' B' ' 50' ' ' ARG . . . -60.7 -35.3 75.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.323 0.583 . . . . 2.34 109.637 178.165 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.42 ' HG2' ' HG2' ' B' ' 50' ' ' ARG . 24.0 mt-10 -106.46 115.45 30.23 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.0 -1.0 . . . . 3.59 108.792 175.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.52 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 22.6 m -99.79 140.4 19.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.834 0.349 . . . . 2.85 110.972 -175.214 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -112.46 99.29 7.87 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.092 -0.504 . . . . 3.25 109.971 178.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 55.3 mt -105.25 87.21 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.671 -0.492 . . . . 2.98 109.671 178.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 66.82 -78.01 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.654 -0.703 . . . . 3.91 110.956 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -133.36 1.26 3.44 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.429 -0.351 . . . . 5.31 110.641 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 16.0 m -107.44 115.35 30.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.953 0.406 . . . . 3.54 110.331 -177.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.52 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 38.4 t -116.23 125.35 73.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.889 -0.596 . . . . 2.78 110.137 -179.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -145.62 165.19 29.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.709 0.29 . . . . 4.84 110.238 176.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.515 ' HA ' ' O ' ' B' ' 40' ' ' ALA . 95.4 mtt180 -105.84 136.73 44.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.103 -0.499 . . . . 5.38 111.237 -177.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -110.7 145.25 38.34 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.804 -0.634 . . . . 5.18 109.799 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -119.19 154.26 33.63 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.356 -0.239 . . . . 2.96 110.356 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -121.27 127.59 51.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.281 -0.418 . . . . 1.28 110.804 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -84.89 103.23 13.76 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.216 0.531 . . . . 4.41 110.348 178.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . 0.433 ' OE2' HG23 ' B' ' 22' ' ' VAL . 26.8 mt-10 -108.02 113.35 26.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.179 -0.464 . . . . 1.49 110.301 179.137 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' B' ' 19' ' ' SER . 37.9 m -97.07 103.49 15.43 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.554 -0.536 . . . . 1.57 109.554 176.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -103.21 154.13 19.65 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.849 -0.614 . . . . 2.93 110.791 -174.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' CYS . . . . . 0.493 ' SG ' HG21 ' B' ' 82' ' ' THR . 79.8 m -80.7 110.81 16.56 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.684 -0.689 . . . . 1.77 110.828 -179.18 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -99.77 17.2 21.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.535 0.684 . . . . 3.85 109.168 174.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -167.14 173.36 9.17 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.722 -1.126 . . . . 2.96 108.766 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' SER . . . . . 0.607 ' HA ' ' SG ' ' B' ' 80' ' ' CYS . 29.1 t -149.08 -31.44 0.24 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.011 0.434 . . . . 3.01 110.468 178.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -140.66 76.71 23.65 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 108.857 -0.794 . . . . 2.59 108.857 177.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -51.48 -42.21 56.48 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.48 2.786 . . . . 2.81 113.685 -171.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 5.1 m -83.88 -56.29 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 C-N-CA 120.707 -0.397 . . . . 2.53 111.842 -176.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . 0.567 ' HG3' ' H ' ' B' ' 66' ' ' SER . 7.3 pt-20 -168.4 -67.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.72 0.267 . . . . 4.2 111.72 -177.228 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' SER . . . . . 0.567 ' H ' ' HG3' ' B' ' 65' ' ' GLU . 16.7 m -123.96 -9.61 7.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.749 0.309 . . . . 4.07 111.431 -177.079 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -137.05 -170.34 11.88 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.697 -0.763 . . . . 2.7 111.865 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 85.2 m -101.72 71.59 1.32 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.948 0.404 . . . . 1.76 111.385 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 70.79 -72.89 0.1 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.246 -0.888 . . . . 4.4 112.303 171.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.13 -17.35 32.34 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.519 -0.848 . . . . 1.61 112.797 -176.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . 0.519 HG23 ' OG ' ' B' ' 78' ' ' SER . 44.3 mm -65.52 124.98 21.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.788 0.294 . . . . 2.04 111.263 -176.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -68.62 106.26 2.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.866 -0.606 . . . . 3.32 109.913 174.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 18.3 p -70.25 -12.51 61.64 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.843 -0.617 . . . . 4.99 112.085 -174.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -81.05 -32.39 34.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.953 0.406 . . . . 3.33 110.538 -178.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -99.18 -30.51 12.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.332 -0.395 . . . . 4.16 110.836 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . 79.5 m95 -127.03 139.95 52.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.271 0.558 . . . . 3.7 111.941 -176.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' ASN . . . . . 0.51 ' HB3' ' HB3' ' B' ' 113' ' ' SER . 4.2 t-20 -93.74 134.6 35.9 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 107.968 -1.123 . . . . 3.0 107.968 169.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.519 ' OG ' HG23 ' B' ' 71' ' ' ILE . 16.1 m -127.23 138.87 53.2 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.147 0.499 . . . . 2.16 111.439 -176.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -153.35 141.95 20.86 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.364 -0.835 . . . . 4.07 109.61 172.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . 0.801 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 79.3 m -81.81 123.11 28.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.673 -0.694 . . . . 1.67 110.613 -176.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 31.4 m -129.01 137.99 51.67 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.716 -0.674 . . . . 2.49 109.591 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.493 HG21 ' SG ' ' B' ' 58' ' ' CYS . 12.4 p -84.29 122.13 28.47 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.204 0.525 . . . . 3.09 111.425 -179.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 22.4 m -76.46 134.54 39.51 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 108.892 -0.781 . . . . 3.17 108.892 174.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' HIS . . . . . 0.447 ' HA ' ' O ' ' B' ' 104' ' ' ILE . 72.7 m80 -106.35 121.95 45.26 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.684 0.278 . . . . 4.39 110.712 -176.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' THR . . . . . 0.704 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 3.5 t -109.24 162.17 14.55 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.543 -0.54 . . . . 1.61 109.543 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.468 ' CE1' ' HA ' ' B' ' 31' ' ' ILE . 78.2 m-85 -103.93 117.49 34.45 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.865 -0.42 . . . . 2.52 109.865 -178.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 20.2 m -109.3 138.46 36.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.237 0.541 . . . . 1.59 111.473 -176.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 17.2 pttp -69.22 103.22 1.88 Allowed 'General case' 0 C--O 1.238 0.479 0 CA-C-N 114.946 -1.025 . . . . 4.22 110.937 178.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.56 138.91 50.4 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.376 -0.829 . . . . 1.57 111.128 -178.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 24.4 tp -73.81 107.64 6.17 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.045 -0.724 . . . . 1.87 109.045 173.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' THR . . . . . 0.469 HG23 ' HA ' ' B' ' 38' ' ' VAL . 76.8 p -131.33 162.94 28.95 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.154 -0.476 . . . . 1.44 109.834 -177.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' THR . . . . . 0.461 HG22 ' HB ' ' B' ' 37' ' ' THR . 4.9 t -117.52 120.59 38.56 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.267 0.556 . . . . 1.63 110.441 179.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -77.48 -10.44 59.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.79 -0.641 . . . . 2.46 110.595 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -162.06 -78.68 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.959 -0.564 . . . . 3.09 109.928 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -142.89 27.19 1.66 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.241 0.543 . . . . 3.76 110.235 178.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -133.38 116.9 16.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.757 -0.656 . . . . 3.02 109.702 -178.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.29 113.89 15.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.999 0.428 . . . . 1.8 110.751 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -131.21 146.23 52.24 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.99 -0.55 . . . . 1.79 110.506 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -76.06 102.53 5.72 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.188 0.518 . . . . 2.87 109.792 178.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' ARG . . . . . 0.416 ' O ' ' HA ' ' B' ' 88' ' ' LYS . 39.2 mmt180 -106.15 177.39 4.87 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.597 -0.728 . . . . 3.93 109.902 -177.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.431 ' HB3' ' HB3' ' B' ' 86' ' ' PHE . 74.6 m-85 -119.45 107.72 13.67 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.637 -0.875 . . . . 2.75 108.637 174.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 35.7 pt -111.7 143.24 21.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.048 0.452 . . . . 1.33 111.244 -171.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.704 ' HA ' ' O ' ' B' ' 85' ' ' THR . 20.5 ptp180 -82.69 125.33 31.11 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.574 -0.739 . . . . 4.28 111.233 -174.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' ILE . . . . . 0.447 ' O ' ' HA ' ' B' ' 84' ' ' HIS . 45.9 pt -127.3 154.94 38.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 CA-C-N 115.596 -0.729 . . . . 1.36 110.565 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -67.22 105.07 1.61 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.6 -0.727 . . . . 1.69 109.242 175.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 1.1 m -90.91 -48.33 7.07 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.213 -0.449 . . . . 2.65 111.515 -171.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . 0.428 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -148.25 147.44 29.36 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.066 -0.515 . . . . 1.64 110.48 -178.098 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . 0.801 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 40.4 t -101.98 109.56 21.32 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.166 -0.679 . . . . 1.6 109.166 177.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 33.2 m -113.7 143.58 23.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.209 -0.45 . . . . 1.53 111.566 -172.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . 0.645 ' SG ' ' HB2' ' B' ' 15' ' ' CYS . 88.5 m -79.98 104.44 10.55 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.95 -0.568 . . . . 1.45 109.527 172.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 32.5 m -89.32 147.19 5.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.622 -0.51 . . . . 2.0 109.622 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 87.7 mt -101.85 138.96 38.13 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.398 0.618 . . . . 1.86 111.043 -175.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' SER . . . . . 0.51 ' HB3' ' HB3' ' B' ' 77' ' ' ASN . 13.8 t -128.3 153.6 46.82 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.268 -0.878 . . . . 3.01 109.638 177.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -77.53 8.85 3.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.169 -0.469 . . . . 7.45 111.882 -175.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp 68.35 39.06 2.33 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.262 0.553 . . . . 4.91 110.187 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -137.5 170.88 15.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.562 -0.745 . . . . 4.74 109.922 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 4.6 p -142.09 -177.44 5.23 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.456 -0.338 . . . . 6.02 110.268 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 . . . . . 0 C--O 1.244 0.798 0 CA-C-O 118.289 -0.862 . . . . 9.38 110.293 179.822 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.2 t . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 110.117 -0.327 . . . . 14.21 110.117 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 t 65.02 24.02 12.55 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.235 0.541 . . . . 12.85 111.03 176.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.9 p -82.54 137.52 34.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.163 -0.471 . . . . 11.6 110.801 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 -148.57 98.91 3.62 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.258 -0.428 . . . . 10.94 110.779 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -79.57 60.1 7.68 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.516 2.144 . . . . 8.15 111.53 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.8 t 57.62 37.7 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.456 -0.793 . . . . 7.04 109.437 -176.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 55.6 t80 54.14 45.49 27.32 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.067 -0.97 . . . . 7.84 110.265 -177.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 34.9 t60 57.02 40.47 28.63 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.826 -0.625 . . . . 8.41 109.501 -178.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 19.9 ptp 47.25 31.01 1.6 Allowed 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 114.948 -1.023 . . . . 5.62 111.632 -175.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.447 ' HA2' HG12 ' B' ' 111' ' ' VAL . . . -106.22 5.06 38.41 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.926 -0.654 . . . . 4.39 112.77 -177.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -99.63 14.06 31.35 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 121.006 -0.277 . . . . 4.63 111.273 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.468 ' HB2' ' HB ' ' B' ' 111' ' ' VAL . 63.6 m-85 -88.84 147.89 24.17 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.352 -0.61 . . . . 4.02 109.352 176.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.4 m -139.49 129.86 25.5 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.773 0.32 . . . . 2.58 111.174 -176.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.3 m -74.71 -18.23 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-O 121.143 0.497 . . . . 1.8 110.618 174.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 68.5 m -127.21 133.09 50.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.342 -0.845 . . . . 1.75 109.585 177.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -67.13 115.63 7.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.763 0.316 . . . . 2.87 110.18 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.5 p -125.49 154.33 42.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.147 0.498 . . . . 1.91 111.778 -174.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.504 ' HB ' ' NE ' ' A' ' 59' ' ' ARG . 3.7 p -122.25 115.69 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.485 -0.78 . . . . 1.88 110.212 179.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 11.2 t -103.04 117.14 33.92 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.668 -0.493 . . . . 1.95 109.668 179.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.2 t -119.46 138.41 50.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.423 -0.353 . . . . 1.55 110.925 -176.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 85.3 m95 -101.77 95.5 6.45 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.36 -0.978 . . . . 1.86 108.36 171.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.6 t -80.4 111.32 16.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.363 -0.835 . . . . 1.41 110.811 -173.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.99 11.7 71.52 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.629 -0.796 . . . . 1.36 112.241 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -156.88 59.68 0.53 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.192 0.52 . . . . 3.02 110.883 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.454 ' HZ3' ' CD ' ' A' ' 55' ' ' GLU . 53.4 tttp -80.69 130.33 35.03 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.891 -0.781 . . . . 1.64 108.891 175.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 t -101.45 -30.78 11.24 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.563 0.579 . . . . 2.12 112.563 -170.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.79 145.79 30.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.827 0.346 . . . . 1.54 111.588 -179.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.81 167.81 27.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.909 -0.587 . . . . 1.29 110.481 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 34' ' ' LYS . 25.5 m -100.05 119.74 38.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.812 -0.631 . . . . 1.53 110.527 178.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.437 ' CG ' HH21 ' A' ' 100' ' ' ARG . 17.8 t70 -69.18 158.64 34.52 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.348 -0.842 . . . . 1.85 110.023 177.452 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.9 tt -61.17 -21.32 24.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-N 116.053 -0.521 . . . . 1.74 111.828 -176.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.461 ' HD2' ' NH2' ' A' ' 100' ' ' ARG . 96.9 mttt -84.79 -5.3 59.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.893 0.377 . . . . 2.65 110.655 178.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.44 27.4 13.24 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.84 -0.695 . . . . 1.25 112.24 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 29' ' ' THR . 75.2 mmtt -102.12 155.35 18.25 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.739 0.304 . . . . 2.58 110.549 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -102.44 115.62 30.93 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.925 -0.769 . . . . 2.19 108.925 174.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.2 m -124.98 151.34 30.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.132 0.492 . . . . 1.48 111.65 -174.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.407 ' HB ' ' CG2' ' A' ' 92' ' ' THR . 46.4 m -81.61 119.79 24.25 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.239 -0.891 . . . . 1.5 109.704 177.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.473 ' HA ' HG21 ' A' ' 91' ' ' THR . 54.3 t -86.24 136.19 23.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 116.223 -0.444 . . . . 1.55 110.772 -175.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.1 mt -109.12 107.82 18.26 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.135 -0.691 . . . . 1.91 109.135 175.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.6 -25.83 65.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.493 0.663 . . . . 2.35 110.123 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.45 ' HG2' ' HB3' ' A' ' 50' ' ' ARG . 30.5 mt-10 -106.81 114.69 28.94 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 114.993 -1.003 . . . . 3.59 108.424 174.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 49' ' ' PHE . 19.5 m -90.68 123.3 42.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.225 0.536 . . . . 2.85 110.395 -176.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -93.55 107.09 18.99 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.576 0.703 . . . . 3.25 109.793 178.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 59.5 mt -103.42 76.59 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.283 -0.636 . . . . 2.98 109.283 177.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.407 HD21 ' N ' ' A' ' 45' ' ' ASN . 0.9 OUTLIER 65.28 -81.86 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.044 -0.98 . . . . 3.91 111.293 -179.74 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -125.27 29.54 6.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.821 0.344 . . . . 5.31 110.836 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.7 m -147.04 115.34 6.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.801 0.334 . . . . 3.53 110.434 178.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.1 t -102.03 121.39 52.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.239 -0.437 . . . . 2.78 110.765 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.409 ' O ' HG22 ' A' ' 42' ' ' VAL . 78.2 m-85 -120.28 126.88 51.68 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.009 -0.542 . . . . 4.85 110.001 178.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.45 ' HB3' ' HG2' ' A' ' 41' ' ' GLU . 8.4 ptp180 -104.13 141.51 36.1 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.885 0.374 . . . . 5.38 110.821 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -133.66 174.35 10.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.98 -0.554 . . . . 5.18 109.817 177.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -121.04 136.23 55.03 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.132 -0.692 . . . . 2.96 109.132 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -94.82 121.58 36.56 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.781 0.324 . . . . 1.28 110.6 -177.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -83.93 107.07 16.08 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.473 0.654 . . . . 4.41 110.934 -177.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.454 ' CD ' ' HZ3' ' A' ' 25' ' ' LYS . 21.2 mt-10 -115.26 112.24 22.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.724 -0.671 . . . . 1.49 109.683 177.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 19' ' ' SER . 24.6 m -105.66 104.61 14.37 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.228 0.537 . . . . 1.56 110.079 178.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -102.52 169.84 8.41 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.66 -0.7 . . . . 2.93 109.565 -176.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.7 t -108.52 112.35 24.68 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.982 0.42 . . . . 1.77 110.264 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.504 ' NE ' ' HB ' ' A' ' 18' ' ' VAL . 88.5 mtt180 -68.35 -38.55 81.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.687 -0.688 . . . . 3.84 110.396 -179.636 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -121.54 105.5 10.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.924 -0.58 . . . . 2.96 110.521 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.41 ' HA ' ' HB2' ' A' ' 80' ' ' CYS . 6.1 p -71.8 -28.39 63.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.969 -0.56 . . . . 3.02 110.23 178.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -139.0 74.39 37.12 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.434 -0.803 . . . . 2.59 109.754 176.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -55.9 -36.13 95.14 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.486 2.124 . . . . 2.81 112.489 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.4 m -119.09 162.02 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.538 -0.542 . . . . 2.53 109.538 176.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -76.6 51.43 0.74 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.309 0.576 . . . . 4.19 111.147 -177.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.9 m -161.11 -26.56 0.06 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.19 -0.914 . . . . 4.07 109.165 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.479 ' HA3' ' HB3' ' A' ' 78' ' ' SER . . . 138.42 -115.23 1.14 Allowed Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 110.875 -0.89 . . . . 2.7 110.875 -177.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.411 ' SG ' HG12 ' A' ' 71' ' ' ILE . 13.9 p -90.56 149.29 22.21 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.294 -0.632 . . . . 1.76 109.294 176.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -66.86 118.37 10.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.409 -0.36 . . . . 4.4 111.647 -173.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.33 -28.19 4.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.639 -0.791 . . . . 1.61 112.613 176.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.411 HG12 ' SG ' ' A' ' 68' ' ' CYS . 48.5 mm -70.53 143.02 15.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.852 0.358 . . . . 2.04 111.623 -176.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -74.59 122.29 22.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.073 -0.512 . . . . 3.32 110.344 176.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.1 m -70.25 -19.72 63.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.728 -0.669 . . . . 4.99 112.547 -173.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -89.25 -43.32 11.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.629 0.252 . . . . 3.32 111.398 -174.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -89.15 -26.95 21.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.534 -0.303 . . . . 4.16 111.782 -176.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -133.19 154.93 50.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.485 0.66 . . . . 3.71 111.528 -175.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -122.1 134.32 54.76 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 107.843 -1.169 . . . . 3.0 107.843 168.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.479 ' HB3' ' HA3' ' A' ' 67' ' ' GLY . 16.1 t -121.04 158.63 27.39 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.139 0.495 . . . . 2.16 111.656 -170.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.539 ' O ' HG23 ' A' ' 111' ' ' VAL . 74.9 t80 -155.35 136.62 13.97 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.981 -0.748 . . . . 4.07 108.981 177.334 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.814 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 61.4 m -91.18 111.39 22.85 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.972 0.415 . . . . 1.67 110.073 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.6 m -114.08 134.83 54.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.934 -0.576 . . . . 2.49 111.037 -173.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.62 122.05 27.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.014 0.435 . . . . 3.09 111.638 176.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.3 p -78.59 157.27 28.78 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.945 -0.571 . . . . 3.17 109.711 173.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -131.16 134.3 46.39 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.943 0.402 . . . . 4.4 110.767 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.672 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 13.7 t -121.78 168.23 12.07 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.686 -0.487 . . . . 1.61 109.686 -179.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.449 ' CE1' ' HB3' ' A' ' 103' ' ' ARG . 95.7 m-85 -115.16 117.63 31.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.891 0.377 . . . . 2.52 110.633 -175.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.2 m -111.88 145.34 18.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.003 -0.544 . . . . 1.59 110.902 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 88' ' ' LYS . 11.4 pttm -79.12 111.82 15.71 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.489 0.661 . . . . 4.22 110.677 177.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.96 149.53 50.77 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.537 -0.756 . . . . 1.57 110.197 177.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.9 tp -76.49 108.38 9.43 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.391 -0.966 . . . . 1.87 108.391 174.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.473 HG21 ' HA ' ' A' ' 38' ' ' VAL . 61.5 p -125.55 159.29 32.44 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.506 -0.316 . . . . 1.44 110.211 -175.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.407 ' CG2' ' HB ' ' A' ' 37' ' ' THR . 9.8 t -125.87 126.31 44.24 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.181 0.515 . . . . 1.63 110.305 177.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -79.6 -17.85 52.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.865 -0.607 . . . . 2.47 110.757 179.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -164.91 -57.94 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.518 -0.31 . . . . 3.09 111.587 173.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -127.99 -51.9 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 122.155 -0.34 . . . . 3.75 111.747 -176.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -77.67 134.9 38.05 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.458 -0.337 . . . . 3.02 110.908 -177.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -92.32 129.88 38.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.499 -0.319 . . . . 1.8 110.177 176.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.08 153.25 42.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.818 0.342 . . . . 1.79 110.994 -177.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -75.32 110.12 9.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.171 -0.468 . . . . 2.88 110.289 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.461 ' NH2' ' HD2' ' A' ' 32' ' ' LYS . 11.7 mmm180 -123.74 156.57 35.76 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.055 -0.52 . . . . 3.92 110.257 -177.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -94.53 114.29 26.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.011 -0.54 . . . . 2.74 109.717 176.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.415 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 36.7 pt -113.6 147.2 17.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.79 0.329 . . . . 1.33 110.769 -176.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.672 ' HA ' ' O ' ' A' ' 85' ' ' THR . 39.8 ptt180 -87.77 129.95 35.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.334 0.587 . . . . 4.27 111.264 -176.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 30.0 pt -129.68 154.71 40.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.339 -0.846 . . . . 1.36 109.991 176.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -65.88 123.7 20.5 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 121.102 0.477 . . . . 1.69 110.049 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.418 HG21 HG21 ' B' ' 106' ' ' THR . 2.0 m -94.16 -56.48 2.83 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.624 -0.717 . . . . 2.66 111.154 -172.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -163.38 157.94 20.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.234 -0.439 . . . . 1.64 110.485 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.814 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 50.8 t -96.3 119.31 34.55 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.763 -0.458 . . . . 1.59 109.763 177.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 80' ' ' CYS . 19.2 m -108.08 152.07 10.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.024 -0.535 . . . . 1.52 110.889 -175.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 36.6 t -95.04 110.4 22.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.068 -0.515 . . . . 1.45 109.643 176.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 79' ' ' TYR . 15.8 m -93.94 153.49 3.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.553 -0.294 . . . . 2.0 110.218 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.7 mt -127.61 139.21 52.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.314 0.578 . . . . 1.86 111.614 -178.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.1 p -127.03 142.78 51.46 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.12 -0.946 . . . . 3.01 108.467 172.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.436 ' HD2' ' O ' ' A' ' 115' ' ' LYS . 7.9 ppt_? -81.7 7.34 12.7 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.946 0.351 . . . . 7.46 111.946 -172.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.436 ' O ' ' HD2' ' A' ' 114' ' ' ARG . 56.5 mtpt 69.58 -178.01 0.22 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.157 0.583 . . . . 4.91 111.678 174.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 69.22 -75.73 0.07 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.388 -0.824 . . . . 4.73 111.79 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.45 172.28 12.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.91 0.386 . . . . 6.02 110.991 -177.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.712 -0.661 . . . . 9.37 109.88 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 27.2 t . . . . . 0 N--CA 1.476 0.837 0 N-CA-C 109.947 -0.39 . . . . 14.21 109.947 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 11.9 t 65.38 24.07 12.03 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.026 0.531 . . . . 12.86 110.891 177.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 11.4 p -82.56 137.13 34.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.337 -0.392 . . . . 11.6 110.833 -179.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 24.8 p-80 -148.25 99.03 3.69 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 120.996 0.426 . . . . 10.95 110.937 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -79.7 60.52 7.85 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.522 2.148 . . . . 8.15 111.441 178.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 8.4 t 57.51 37.31 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.474 -0.785 . . . . 7.04 109.427 -176.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 55.7 t80 54.32 45.54 27.01 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 114.985 -1.007 . . . . 7.83 110.247 -177.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 34.8 t60 57.29 40.47 27.74 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.869 -0.605 . . . . 8.41 109.525 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 19.7 ptp 47.1 30.83 1.43 Allowed 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.367 1.067 . . . . 5.62 111.813 -174.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.4 ' HA2' HG12 ' A' ' 111' ' ' VAL . . . -106.34 5.38 38.34 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.883 -0.675 . . . . 4.39 112.763 -177.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -99.96 14.71 29.57 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.965 0.412 . . . . 4.62 111.246 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . 0.456 ' HB2' ' HB ' ' A' ' 111' ' ' VAL . 63.4 m-85 -88.95 148.06 23.99 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.393 -0.595 . . . . 4.01 109.393 175.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 44.1 m -139.89 129.7 24.63 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.762 0.315 . . . . 2.58 111.048 -176.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.1 m -74.64 -18.23 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 121.152 0.501 . . . . 1.81 110.545 174.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 68.7 m -127.24 132.98 50.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.406 -0.816 . . . . 1.75 109.626 177.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -66.98 115.69 6.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.858 0.361 . . . . 2.87 110.182 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.6 p -125.43 154.5 41.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.123 0.487 . . . . 1.91 111.742 -174.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.495 ' HB ' ' NE ' ' B' ' 59' ' ' ARG . 3.7 p -122.41 115.86 47.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.518 -0.765 . . . . 1.88 110.174 179.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 11.7 t -103.33 116.69 32.92 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.715 -0.476 . . . . 1.95 109.715 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 58.3 t -119.24 138.33 50.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.293 -0.412 . . . . 1.55 110.912 -176.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -101.79 95.18 6.24 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.569 -0.9 . . . . 1.86 108.569 171.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 44.1 t -80.13 111.14 16.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.271 -0.877 . . . . 1.41 110.678 -173.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.31 10.64 73.87 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.693 -0.765 . . . . 1.36 112.346 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -156.19 59.79 0.58 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.191 0.519 . . . . 3.01 110.727 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.467 ' HZ3' ' CD ' ' B' ' 55' ' ' GLU . 53.3 tttp -81.02 129.99 34.8 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.888 -0.782 . . . . 1.64 108.888 175.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -100.97 -30.67 11.51 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.674 0.62 . . . . 2.11 112.674 -170.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -146.12 145.8 30.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.836 0.35 . . . . 1.53 111.503 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.76 167.52 27.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.896 -0.593 . . . . 1.29 110.611 177.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' B' ' 34' ' ' LYS . 27.3 m -99.68 119.72 38.56 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.974 -0.557 . . . . 1.52 110.606 178.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . 0.431 ' CG ' HH21 ' B' ' 100' ' ' ARG . 17.7 t70 -69.06 158.81 34.07 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.375 -0.829 . . . . 1.84 110.038 177.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.8 tt -61.44 -20.89 23.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 116.089 -0.505 . . . . 1.74 111.946 -176.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.468 ' HD2' ' NH2' ' B' ' 100' ' ' ARG . 97.0 mttt -85.09 -5.28 59.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.922 0.391 . . . . 2.65 110.795 178.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.38 27.66 12.89 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.95 -0.643 . . . . 1.25 112.198 178.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' B' ' 29' ' ' THR . 75.3 mmtt -102.57 154.76 18.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.666 0.269 . . . . 2.58 110.568 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -101.62 116.31 32.46 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.845 -0.798 . . . . 2.19 108.845 174.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 24.8 m -125.39 151.48 31.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.198 0.523 . . . . 1.48 111.512 -174.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' THR . . . . . 0.423 ' HB ' ' CG2' ' B' ' 92' ' ' THR . 41.7 m -81.87 119.79 24.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.221 -0.899 . . . . 1.5 109.636 176.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.48 ' HA ' HG21 ' B' ' 91' ' ' THR . 54.5 t -86.22 136.55 22.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 116.224 -0.444 . . . . 1.55 110.689 -175.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 56.9 mt -109.39 108.09 18.5 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.225 -0.657 . . . . 1.91 109.225 175.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.95 -25.94 65.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.36 0.6 . . . . 2.34 110.056 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.438 ' HG2' ' HB3' ' B' ' 50' ' ' ARG . 30.4 mt-10 -106.74 114.59 28.78 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 114.909 -1.041 . . . . 3.59 108.685 173.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.404 HG22 ' O ' ' B' ' 49' ' ' PHE . 19.4 m -90.63 123.29 42.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.334 0.588 . . . . 2.85 110.304 -176.305 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -93.59 107.41 19.27 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.481 0.658 . . . . 3.25 109.81 178.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 59.7 mt -103.62 76.59 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.437 -0.579 . . . . 2.98 109.437 177.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 65.4 -82.23 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 114.941 -1.027 . . . . 3.91 111.084 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -124.82 29.57 6.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.707 0.289 . . . . 5.31 110.993 -178.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 22.0 m -147.06 115.38 6.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.796 0.332 . . . . 3.54 110.36 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 61.3 t -101.99 121.71 53.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.979 0.419 . . . . 2.78 110.75 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . 0.404 ' O ' HG22 ' B' ' 42' ' ' VAL . 78.4 m-85 -120.45 126.72 51.14 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.985 -0.552 . . . . 4.84 110.048 178.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.438 ' HB3' ' HG2' ' B' ' 41' ' ' GLU . 8.5 ptp180 -104.13 141.0 37.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.912 0.387 . . . . 5.38 110.918 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 -133.09 174.36 10.45 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.975 -0.557 . . . . 5.18 109.784 177.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -120.98 136.26 55.02 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.22 -0.659 . . . . 2.96 109.22 178.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -94.9 121.59 36.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.724 0.297 . . . . 1.28 110.573 -177.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -83.97 107.1 16.14 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.392 0.615 . . . . 4.41 110.985 -177.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . 0.467 ' CD ' ' HZ3' ' B' ' 25' ' ' LYS . 21.7 mt-10 -115.35 112.33 22.2 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.775 -0.648 . . . . 1.49 109.621 177.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 24.5 m -105.59 104.59 14.34 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.262 0.554 . . . . 1.57 110.097 178.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -102.54 169.99 8.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.657 -0.702 . . . . 2.93 109.657 -176.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 1.8 t -108.86 111.97 23.98 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.061 0.458 . . . . 1.77 110.249 -178.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . 0.495 ' NE ' ' HB ' ' B' ' 18' ' ' VAL . 88.7 mtt180 -68.05 -38.76 82.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.591 -0.732 . . . . 3.85 110.408 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -121.42 105.37 10.44 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.047 -0.524 . . . . 2.96 110.524 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' SER . . . . . 0.409 ' HA ' ' HB2' ' B' ' 80' ' ' CYS . 5.4 p -71.67 -28.25 63.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.024 -0.534 . . . . 3.01 110.352 178.266 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -139.15 74.7 35.72 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.517 -0.765 . . . . 2.59 109.526 176.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -55.94 -36.41 95.71 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.623 2.216 . . . . 2.81 112.338 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 35.7 m -119.02 162.2 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.688 -0.486 . . . . 2.53 109.688 176.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -76.93 51.25 0.78 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.351 0.596 . . . . 4.2 110.99 -177.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 19.6 m -160.88 -26.43 0.06 Allowed 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.191 -0.913 . . . . 4.07 109.183 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.47 ' HA3' ' HB3' ' B' ' 78' ' ' SER . . . 138.17 -115.36 1.17 Allowed Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.892 -0.883 . . . . 2.7 110.892 -177.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.427 ' SG ' HG12 ' B' ' 71' ' ' ILE . 14.1 p -90.66 149.59 22.02 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.158 -0.682 . . . . 1.76 109.158 176.081 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -67.14 118.42 10.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.286 -0.415 . . . . 4.4 111.539 -173.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.17 -28.23 4.12 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 1.61 112.619 176.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . 0.427 HG12 ' SG ' ' B' ' 68' ' ' CYS . 48.3 mm -70.47 142.53 15.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.752 0.31 . . . . 2.04 111.673 -176.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -74.18 122.33 22.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.067 -0.515 . . . . 3.32 110.399 176.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 3.1 m -70.12 -20.16 63.19 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.71 -0.677 . . . . 4.99 112.37 -173.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -89.16 -43.11 11.27 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 121.141 -0.224 . . . . 3.33 111.378 -174.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -89.21 -27.15 20.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.55 -0.296 . . . . 4.16 111.615 -176.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -133.17 154.78 50.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.462 0.649 . . . . 3.7 111.47 -174.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -121.93 134.32 54.84 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.92 -1.141 . . . . 3.0 107.92 168.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.47 ' HB3' ' HA3' ' B' ' 67' ' ' GLY . 16.5 t -121.11 158.74 27.24 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.277 0.561 . . . . 2.16 111.623 -170.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . 0.532 ' O ' HG23 ' B' ' 111' ' ' VAL . 73.7 t80 -155.47 136.52 13.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.343 -0.844 . . . . 4.07 109.153 177.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . 0.816 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 61.4 m -91.29 110.93 22.23 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.014 0.435 . . . . 1.67 110.11 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 24.2 m -113.56 135.16 54.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.873 -0.603 . . . . 2.49 111.065 -173.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.63 122.06 27.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.022 0.439 . . . . 3.09 111.834 176.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 11.3 p -78.51 157.36 28.88 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.913 -0.585 . . . . 3.17 109.727 173.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -131.48 134.47 46.19 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.892 0.377 . . . . 4.39 110.737 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' THR . . . . . 0.669 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 13.5 t -121.94 168.2 12.17 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.999 -0.546 . . . . 1.61 109.746 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.454 ' CE1' ' HB3' ' B' ' 103' ' ' ARG . 95.7 m-85 -115.16 117.62 31.03 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.878 0.371 . . . . 2.52 110.732 -175.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 19.2 m -111.83 145.22 18.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.977 -0.556 . . . . 1.59 110.964 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' B' ' 88' ' ' LYS . 11.4 pttm -79.03 111.76 15.56 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.552 0.691 . . . . 4.22 110.706 177.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.03 149.53 50.81 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.523 -0.762 . . . . 1.57 110.053 177.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 18.8 tp -76.49 108.45 9.47 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.362 -0.977 . . . . 1.87 108.362 174.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' THR . . . . . 0.48 HG21 ' HA ' ' B' ' 38' ' ' VAL . 60.3 p -125.57 159.16 32.79 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 116.399 -0.364 . . . . 1.44 110.189 -175.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' THR . . . . . 0.423 ' CG2' ' HB ' ' B' ' 37' ' ' THR . 10.1 t -125.85 125.99 43.75 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-O 121.379 0.609 . . . . 1.63 110.341 177.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -79.3 -17.97 53.56 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.871 -0.604 . . . . 2.46 110.865 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -164.57 -58.54 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.592 -0.276 . . . . 3.09 111.499 173.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -127.59 -51.57 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 122.184 -0.322 . . . . 3.76 111.748 -176.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -77.81 135.18 37.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.62 -0.264 . . . . 3.02 110.763 -177.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -92.71 129.78 38.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.439 -0.346 . . . . 1.8 110.069 176.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.17 152.99 42.4 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.438 -0.346 . . . . 1.79 110.976 -176.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -75.07 109.85 8.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.196 -0.457 . . . . 2.87 110.422 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' ARG . . . . . 0.468 ' NH2' ' HD2' ' B' ' 32' ' ' LYS . 11.6 mmm180 -123.62 156.29 36.09 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.913 -0.585 . . . . 3.93 110.307 -177.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.406 ' HB3' ' HB3' ' B' ' 86' ' ' PHE . 93.0 m-85 -94.23 114.28 26.35 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.997 -0.547 . . . . 2.75 109.76 176.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . 0.427 ' O ' ' HA ' ' B' ' 86' ' ' PHE . 36.3 pt -113.57 147.32 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.745 0.307 . . . . 1.33 110.826 -176.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.669 ' HA ' ' O ' ' B' ' 85' ' ' THR . 39.8 ptt180 -87.99 129.46 35.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.426 0.632 . . . . 4.28 111.449 -176.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 30.5 pt -129.13 154.71 40.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.271 -0.877 . . . . 1.36 110.035 176.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -66.01 123.69 20.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.18 0.514 . . . . 1.69 110.083 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' THR . . . . . 0.418 HG21 HG21 ' A' ' 106' ' ' THR . 2.1 m -94.26 -56.4 2.85 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.695 -0.684 . . . . 2.65 111.138 -172.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -163.27 158.15 21.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.32 -0.4 . . . . 1.64 110.507 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . 0.816 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 51.0 t -96.46 119.26 34.62 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.804 -0.443 . . . . 1.6 109.804 177.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' B' ' 80' ' ' CYS . 19.0 m -108.08 151.96 10.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.988 -0.551 . . . . 1.53 110.9 -175.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 36.3 t -94.98 110.31 22.23 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.96 -0.563 . . . . 1.45 109.613 176.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.532 HG23 ' O ' ' B' ' 79' ' ' TYR . 15.6 m -93.96 153.44 3.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 110.187 -0.301 . . . . 2.0 110.187 179.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 61.3 mt -127.59 139.21 52.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.272 0.558 . . . . 1.86 111.666 -178.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 13.2 p -127.1 142.96 51.39 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.183 -0.917 . . . . 3.01 108.543 171.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' ARG . . . . . 0.431 ' HD2' ' O ' ' B' ' 115' ' ' LYS . 7.8 ppt_? -81.48 7.43 11.95 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.133 0.42 . . . . 7.45 112.133 -173.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . 0.431 ' O ' ' HD2' ' B' ' 114' ' ' ARG . 56.7 mtpt 69.57 -178.05 0.22 Allowed 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.222 0.609 . . . . 4.91 111.643 174.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . 69.24 -75.93 0.06 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.449 -0.796 . . . . 4.74 111.855 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.33 172.06 13.2 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.778 0.323 . . . . 6.02 110.846 -177.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.508 -0.758 . . . . 9.38 109.76 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.478 0.969 0 CA-C-O 121.151 0.5 . . . . 14.21 109.955 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.6 p -136.56 8.64 3.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.056 -0.52 . . . . 12.85 110.668 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.2 p -89.48 95.37 10.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.059 -0.519 . . . . 11.6 110.932 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -136.36 105.03 9.32 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.001 -0.545 . . . . 10.94 110.875 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -78.51 63.23 8.42 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.668 2.245 . . . . 8.15 111.837 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.0 t 57.31 33.24 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 115.628 -0.714 . . . . 7.04 109.786 -178.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 52.84 39.32 28.75 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.52 -0.764 . . . . 7.84 111.129 -176.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 65.48 14.54 9.53 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.798 -0.637 . . . . 8.41 110.175 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 21.9 ptp 41.24 40.85 1.26 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.301 1.04 . . . . 5.62 111.317 -174.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.434 ' HA2' HG11 ' B' ' 111' ' ' VAL . . . -157.92 -32.48 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.01 -0.995 . . . . 4.39 111.782 -177.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -87.44 71.76 9.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.151 0.501 . . . . 4.63 110.131 -178.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -127.7 165.3 20.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.065 -0.516 . . . . 4.02 111.269 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.2 t -150.58 144.1 25.07 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.753 -0.832 . . . . 2.58 108.753 173.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.634 HG22 ' SG ' ' A' ' 110' ' ' CYS . 15.9 m -88.72 5.83 4.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.112 0.482 . . . . 1.8 111.093 -178.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.524 ' HB2' ' SG ' ' A' ' 110' ' ' CYS . 34.3 t -143.94 152.2 40.78 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.57 -0.741 . . . . 1.75 109.46 176.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.61 114.48 3.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.992 0.425 . . . . 2.87 110.733 -178.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.0 m -126.44 152.03 46.95 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.004 -0.544 . . . . 1.91 110.39 -176.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.498 ' HB ' ' NE ' ' A' ' 59' ' ' ARG . 7.4 p -129.19 120.3 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.427 -0.351 . . . . 1.88 110.43 174.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.405 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 50.0 m -97.82 111.72 23.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.959 0.409 . . . . 1.95 110.286 179.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.3 t -119.45 138.1 51.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.133 -0.485 . . . . 1.55 110.849 -177.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -95.88 95.23 8.11 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.592 -0.892 . . . . 1.86 108.592 171.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.9 t -80.29 120.41 31.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.639 -0.709 . . . . 1.41 110.301 -175.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.493 ' HA2' ' O ' ' A' ' 51' ' ' GLN . . . -115.08 17.74 16.88 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.815 -0.707 . . . . 1.36 111.925 179.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -140.31 36.6 1.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 3.02 111.091 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.4 tttp -73.95 129.64 38.28 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.227 -0.657 . . . . 1.64 109.227 178.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.6 p -101.03 -38.19 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.547 0.573 . . . . 2.12 112.547 -172.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.97 139.31 30.6 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.776 0.322 . . . . 1.54 111.136 -178.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.22 163.84 35.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.011 -0.54 . . . . 1.29 110.866 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.3 m -96.49 122.64 39.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.063 -0.517 . . . . 1.53 110.621 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -72.45 165.51 24.45 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.879 -0.6 . . . . 1.85 110.022 176.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.1 tt -59.77 -26.93 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.81 0.338 . . . . 1.74 111.119 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -80.48 -3.59 50.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.426 -0.352 . . . . 2.65 111.025 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.72 10.49 60.18 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.99 -0.624 . . . . 1.25 112.385 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -86.54 137.07 32.81 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.741 0.305 . . . . 2.58 111.283 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -85.04 114.16 21.99 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.742 -0.836 . . . . 2.19 108.742 172.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.0 m -120.6 152.94 23.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 116.199 -0.455 . . . . 1.48 111.156 -176.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.47 ' HB ' ' CG2' ' A' ' 92' ' ' THR . 18.7 m -87.53 114.9 24.57 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.399 -0.819 . . . . 1.5 110.228 -178.129 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.461 ' HA ' HG21 ' A' ' 91' ' ' THR . 53.8 t -81.1 137.23 21.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 116.015 -0.539 . . . . 1.55 110.209 -177.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.5 mt -99.2 113.1 25.18 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.362 -0.607 . . . . 1.91 109.362 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.529 ' O ' ' HA ' ' A' ' 50' ' ' ARG . . . -65.61 -36.36 83.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.307 0.575 . . . . 2.35 109.742 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -114.68 114.59 25.86 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.989 -1.005 . . . . 3.59 108.702 176.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.609 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 34.3 m -104.1 132.11 51.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.988 0.423 . . . . 2.85 111.394 -175.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -95.7 99.17 11.05 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.969 -0.559 . . . . 3.25 109.708 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.6 mt -115.45 100.13 9.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.284 -0.417 . . . . 2.98 110.076 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 57.71 50.32 10.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.419 0.628 . . . . 3.91 110.021 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 63.8 20.77 12.38 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.197 -0.91 . . . . 5.31 111.855 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.4 t -119.11 121.47 39.86 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.801 -0.814 . . . . 3.53 108.801 175.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.609 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 46.8 t -103.48 109.9 28.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.092 0.472 . . . . 2.78 111.313 -175.185 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.415 ' O ' HG23 ' A' ' 42' ' ' VAL . 63.9 m-85 -109.85 149.57 29.66 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.944 -0.571 . . . . 4.85 109.902 175.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.529 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 20.4 ttm180 -97.78 136.81 37.58 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.944 0.402 . . . . 5.38 110.148 177.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.493 ' O ' ' HA2' ' A' ' 23' ' ' GLY . 85.8 mm-40 -85.94 108.75 18.33 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.675 -0.693 . . . . 5.18 111.329 -176.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -93.65 123.49 37.01 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.557 -0.534 . . . . 2.96 109.557 175.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -114.07 124.48 52.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.72 0.295 . . . . 1.28 110.576 178.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.405 ' CE2' ' HB3' ' A' ' 19' ' ' SER . 84.4 t80 -84.57 97.05 9.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.101 -0.5 . . . . 4.41 110.245 -178.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.5 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 39.8 mt-10 -106.31 110.0 22.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.076 -0.511 . . . . 1.49 110.608 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.477 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 52.5 m -96.43 98.45 10.26 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.941 -0.763 . . . . 1.56 108.941 172.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -103.43 153.64 20.28 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.423 -0.808 . . . . 2.93 110.659 -169.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.64 ' SG ' HG21 ' A' ' 82' ' ' THR . 75.6 m -74.8 109.82 8.58 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.091 -0.504 . . . . 1.77 110.573 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.498 ' NE ' ' HB ' ' A' ' 18' ' ' VAL . 66.1 mtt180 -67.75 -50.6 56.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.179 -0.464 . . . . 3.84 110.372 176.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -148.02 96.5 2.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.701 -0.681 . . . . 2.96 110.394 -178.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.1 p -66.48 140.64 58.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.979 -0.555 . . . . 3.02 110.569 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.685 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 14.9 m120 68.31 70.94 0.41 Allowed Pre-proline 0 N--CA 1.465 0.311 0 O-C-N 123.609 0.568 . . . . 2.59 110.905 -178.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -62.55 -27.44 76.63 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.388 2.059 . . . . 2.81 111.692 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.7 m -112.32 163.59 9.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.893 -0.594 . . . . 2.53 109.495 176.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -80.45 58.37 3.14 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.954 0.407 . . . . 4.19 111.357 -175.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.5 p -170.12 -66.56 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.67 -0.695 . . . . 4.07 109.98 179.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.685 ' O ' ' HA ' ' A' ' 62' ' ' ASN . . . -151.78 -84.43 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.859 -0.609 . . . . 2.7 112.138 179.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 74.1 m -140.44 173.4 11.54 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.676 0.274 . . . . 1.76 111.045 -178.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 69' ' ' ARG . 44.2 mtt180 -72.92 136.26 45.19 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.848 -0.427 . . . . 4.4 109.848 -178.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.49 -46.2 3.46 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.822 -0.704 . . . . 1.61 112.028 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.523 HG22 ' H ' ' A' ' 72' ' ' ASP . 9.8 mm -76.14 178.9 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.574 -0.528 . . . . 2.04 109.574 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.523 ' H ' HG22 ' A' ' 71' ' ' ILE . 15.1 m-20 69.26 70.11 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.341 0.591 . . . . 3.32 111.055 173.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.3 m -117.56 -66.85 1.04 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.66 -0.7 . . . . 4.99 110.471 178.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -126.61 -60.99 1.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.076 0.398 . . . . 3.32 112.076 -175.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -113.14 5.58 17.13 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.489 0.552 . . . . 4.16 112.489 -172.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.501 ' O ' ' HA ' ' A' ' 72' ' ' ASP . 74.6 m95 -123.21 137.66 54.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.162 0.506 . . . . 3.71 111.411 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.419 ' HA ' ' OD1' ' A' ' 72' ' ' ASP . 6.4 t30 -124.79 134.89 52.61 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.015 -0.993 . . . . 3.0 108.324 174.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.475 ' OG ' ' HB3' ' A' ' 110' ' ' CYS . 5.9 t -115.84 173.18 6.7 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.227 0.537 . . . . 2.16 111.975 -173.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -170.94 140.16 1.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.315 -0.857 . . . . 4.07 109.484 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.518 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 7.2 m -86.09 119.15 26.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.813 0.339 . . . . 1.67 110.759 -177.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.3 m -133.45 133.33 42.16 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.124 -0.489 . . . . 2.49 109.784 178.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.64 HG21 ' SG ' ' A' ' 58' ' ' CYS . 5.8 p -79.91 120.58 24.32 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.842 0.353 . . . . 3.09 110.613 177.276 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.0 t -76.09 153.49 36.29 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.299 -1.0 . . . . 3.17 108.299 173.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -122.13 130.21 53.03 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.906 0.384 . . . . 4.4 111.161 -172.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.615 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 10.2 t -114.26 158.84 20.86 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.375 -0.602 . . . . 1.61 109.375 177.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -106.63 115.83 30.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.018 0.437 . . . . 2.52 110.054 -178.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.3 m -110.23 139.29 34.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.975 -0.557 . . . . 1.59 111.067 -177.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.504 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 20.6 pttm -68.19 114.44 6.69 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.418 0.628 . . . . 4.22 110.702 178.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.4 142.74 50.73 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.697 -0.683 . . . . 1.57 110.341 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.2 tp -79.93 104.43 10.5 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 108.571 -0.9 . . . . 1.87 108.571 174.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.461 HG21 ' HA ' ' A' ' 38' ' ' VAL . 72.1 p -117.65 152.47 35.13 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.879 -0.6 . . . . 1.44 109.948 -175.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.47 ' CG2' ' HB ' ' A' ' 37' ' ' THR . 10.2 t -96.4 114.21 25.87 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.657 0.742 . . . . 1.63 109.225 177.165 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -63.66 -33.81 76.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 114.871 -1.059 . . . . 2.47 109.878 -177.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -157.4 -63.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.035 -0.984 . . . . 3.09 108.709 173.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -139.8 27.59 2.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.806 -0.634 . . . . 3.75 109.667 173.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -136.72 118.81 15.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.448 -0.797 . . . . 3.02 109.862 -177.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.45 122.34 21.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.84 -0.618 . . . . 1.8 110.363 177.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.02 145.71 33.17 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.227 -0.442 . . . . 1.79 110.459 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -74.88 114.48 13.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.09 0.471 . . . . 2.88 110.881 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.504 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 33.4 mmt180 -114.07 173.29 6.51 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.457 -0.792 . . . . 3.92 109.578 176.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -119.48 107.96 13.96 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.324 -0.991 . . . . 2.74 108.324 176.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 39.7 pt -111.53 143.45 21.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.281 0.562 . . . . 1.33 111.45 -169.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.615 ' HA ' ' O ' ' A' ' 85' ' ' THR . 26.5 ptt180 -77.9 126.24 30.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.142 -0.936 . . . . 4.27 111.247 -176.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 46.3 pt -125.26 148.9 29.68 Favored 'Isoleucine or valine' 0 C--O 1.243 0.758 0 CA-C-N 115.521 -0.763 . . . . 1.36 110.015 173.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.5 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 30.5 m-20 -66.25 110.19 2.94 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.747 -0.66 . . . . 1.69 109.26 176.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -90.98 -42.64 10.44 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.932 -0.576 . . . . 2.66 111.395 -170.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.493 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -158.08 140.25 14.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.262 -0.427 . . . . 1.64 110.86 -178.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.518 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 41.9 t -90.46 98.91 12.06 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.668 -0.864 . . . . 1.59 108.668 176.364 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 m -101.06 151.72 5.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.124 -0.489 . . . . 1.52 110.96 -172.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.634 ' SG ' HG22 ' A' ' 14' ' ' VAL . 67.1 m -96.46 109.0 21.64 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.755 -0.461 . . . . 1.45 109.755 175.071 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.6 m -71.78 165.06 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.434 -0.803 . . . . 2.0 110.705 -177.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.5 mt -119.64 136.77 54.25 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.079 0.466 . . . . 1.86 109.888 174.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.1 t -131.45 141.34 49.78 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.678 -0.86 . . . . 3.01 108.678 173.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.449 ' O ' ' HB2' ' A' ' 115' ' ' LYS . 20.3 tpt180 -76.5 8.99 2.97 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.603 -0.271 . . . . 7.46 110.546 -177.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 114' ' ' ARG . 60.1 mtpt 77.86 -40.13 0.31 Allowed 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.77 0.828 . . . . 4.91 110.971 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -115.72 78.68 1.2 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.692 -0.485 . . . . 4.73 109.692 173.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 10.6 p -109.82 6.52 23.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.002 -0.545 . . . . 6.02 111.35 -177.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.453 ' NE ' ' HA ' ' A' ' 118' ' ' ARG . 3.7 mmp_? . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.455 -0.784 . . . . 9.37 110.054 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 22.4 t . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 121.06 0.457 . . . . 14.21 110.053 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 27.8 p -136.29 9.0 3.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.151 -0.477 . . . . 12.86 110.697 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 5.8 p -89.44 95.44 10.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.921 -0.581 . . . . 11.6 110.893 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -136.46 105.29 9.24 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.005 -0.543 . . . . 10.95 110.801 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -78.5 62.78 8.32 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.705 2.27 . . . . 8.15 111.775 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 5.2 t 57.7 32.76 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-N 115.606 -0.725 . . . . 7.04 109.713 -178.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 53.4 39.16 29.49 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.601 -0.727 . . . . 7.83 111.041 -176.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 65.68 14.07 9.31 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.715 -0.675 . . . . 8.41 110.126 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 22.1 ptp 41.43 41.4 1.54 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.334 1.054 . . . . 5.62 111.107 -174.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.21 -32.45 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.035 -0.984 . . . . 4.39 111.878 -177.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -87.32 71.45 9.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.08 0.467 . . . . 4.62 110.217 -178.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -127.51 165.1 20.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.982 -0.553 . . . . 4.01 111.237 -179.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 23.6 t -150.34 144.44 25.51 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.776 -0.824 . . . . 2.58 108.776 173.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.631 HG22 ' SG ' ' B' ' 110' ' ' CYS . 15.9 m -88.87 6.03 4.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.085 0.469 . . . . 1.81 111.148 -178.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.529 ' HB2' ' SG ' ' B' ' 110' ' ' CYS . 34.7 t -144.14 152.2 40.58 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.559 -0.746 . . . . 1.75 109.41 176.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.64 114.56 3.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.0 0.428 . . . . 2.87 110.717 -178.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 15.9 m -126.71 151.76 47.71 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.874 -0.603 . . . . 1.91 110.607 -176.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.496 ' HB ' ' NE ' ' B' ' 59' ' ' ARG . 7.3 p -129.15 120.16 50.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.879 0.371 . . . . 1.88 110.401 175.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.4 ' HB3' ' CE2' ' B' ' 54' ' ' PHE . 50.7 m -97.38 111.74 23.87 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.937 0.399 . . . . 1.95 110.26 179.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 55.3 t -119.56 137.79 52.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.158 -0.473 . . . . 1.55 110.779 -177.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -95.62 95.28 8.25 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.773 -0.825 . . . . 1.86 108.773 170.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 48.7 t -80.3 120.5 31.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.551 -0.75 . . . . 1.41 110.267 -175.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' B' ' 51' ' ' GLN . . . -115.04 17.84 16.89 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.755 -0.736 . . . . 1.36 111.996 179.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -140.56 37.26 1.84 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.921 0.391 . . . . 3.01 111.036 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -74.39 129.45 37.79 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.159 -0.682 . . . . 1.64 109.159 178.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 40.0 p -100.74 -38.07 8.45 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.46 0.541 . . . . 2.11 112.46 -172.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.96 139.5 30.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.797 0.332 . . . . 1.53 111.213 -178.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.3 164.09 34.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.115 -0.493 . . . . 1.29 110.951 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 2.4 m -96.82 122.68 40.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.089 -0.505 . . . . 1.52 110.572 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -72.62 165.14 25.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.795 -0.639 . . . . 1.84 109.94 176.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.1 tt -59.68 -26.47 35.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-O 121.001 0.429 . . . . 1.74 111.214 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -80.69 -3.8 52.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.344 -0.389 . . . . 2.65 110.935 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.55 10.72 60.17 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.87 -0.681 . . . . 1.25 112.334 177.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -86.62 137.14 32.72 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.754 0.312 . . . . 2.58 111.221 -178.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -85.15 114.02 21.96 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.901 -0.777 . . . . 2.19 108.901 172.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 16.7 m -120.41 152.6 23.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 120.989 0.423 . . . . 1.48 111.181 -176.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' THR . . . . . 0.459 ' HB ' ' CG2' ' B' ' 92' ' ' THR . 19.3 m -87.0 114.76 23.88 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.409 -0.814 . . . . 1.5 110.182 -178.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.449 ' HA ' HG21 ' B' ' 91' ' ' THR . 54.4 t -80.7 137.71 20.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.922 -0.581 . . . . 1.55 110.122 -177.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 69.3 mt -99.51 113.56 26.03 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.273 -0.64 . . . . 1.91 109.273 177.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.532 ' O ' ' HA ' ' B' ' 50' ' ' ARG . . . -65.71 -36.38 83.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.293 0.568 . . . . 2.34 109.865 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -114.59 114.91 26.34 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.921 -1.036 . . . . 3.59 108.755 176.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.613 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 34.5 m -104.56 132.45 51.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.068 0.461 . . . . 2.85 111.237 -175.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -96.04 99.05 10.85 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.737 -0.665 . . . . 3.25 109.827 177.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 65.7 mt -115.42 100.1 9.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.143 -0.481 . . . . 2.98 110.063 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 57.73 50.46 10.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.798 -0.637 . . . . 3.91 110.033 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 63.89 20.14 12.07 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.106 -0.952 . . . . 5.31 111.939 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 32.2 t -118.73 121.72 40.78 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.986 -0.746 . . . . 3.54 108.986 175.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.613 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 47.2 t -103.61 109.39 26.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.957 0.408 . . . . 2.78 111.4 -175.07 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . 0.42 ' O ' HG23 ' B' ' 42' ' ' VAL . 64.0 m-85 -109.5 149.43 29.61 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.009 -0.542 . . . . 4.84 109.95 175.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.532 ' HA ' ' O ' ' B' ' 40' ' ' ALA . 20.5 ttm180 -97.5 137.0 37.12 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.86 0.362 . . . . 5.38 110.169 177.219 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . 0.477 ' O ' ' HA2' ' B' ' 23' ' ' GLY . 85.9 mm-40 -86.06 108.51 18.3 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.642 -0.708 . . . . 5.18 111.375 -176.571 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -93.61 123.53 37.0 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.649 -0.5 . . . . 2.96 109.649 175.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -114.03 124.66 52.67 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.668 0.27 . . . . 1.28 110.664 178.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . 0.4 ' CE2' ' HB3' ' B' ' 19' ' ' SER . 84.4 t80 -84.67 97.08 9.44 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.16 -0.473 . . . . 4.41 110.201 -178.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . 0.502 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 39.4 mt-10 -106.45 109.91 21.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.95 -0.568 . . . . 1.49 110.523 179.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.482 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 53.4 m -96.48 98.54 10.31 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.846 -0.798 . . . . 1.57 108.846 173.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -103.56 153.89 20.09 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.423 -0.808 . . . . 2.93 110.614 -169.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' CYS . . . . . 0.649 ' SG ' HG21 ' B' ' 82' ' ' THR . 75.4 m -75.12 109.84 8.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.085 -0.507 . . . . 1.77 110.609 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . 0.496 ' NE ' ' HB ' ' B' ' 18' ' ' VAL . 65.9 mtt180 -67.85 -50.2 57.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.021 -0.536 . . . . 3.85 110.477 176.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -148.25 96.82 2.68 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.737 -0.665 . . . . 2.96 110.277 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 16.7 p -67.0 140.36 57.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.033 -0.531 . . . . 3.01 110.533 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . 0.687 ' HA ' ' O ' ' B' ' 67' ' ' GLY . 14.8 m120 68.6 70.72 0.4 Allowed Pre-proline 0 N--CA 1.466 0.33 0 O-C-N 123.657 0.598 . . . . 2.59 110.849 -178.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -62.09 -27.97 79.57 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.498 2.132 . . . . 2.81 111.642 177.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 34.6 m -111.83 163.88 8.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.67 -0.696 . . . . 2.53 109.437 176.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -80.77 57.05 2.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.02 0.438 . . . . 4.2 111.346 -175.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 10.1 p -169.21 -66.31 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.868 -0.606 . . . . 4.07 109.754 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.687 ' O ' ' HA ' ' B' ' 62' ' ' ASN . . . -151.76 -84.2 0.04 OUTLIER Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.891 -0.671 . . . . 2.7 112.113 179.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 77.2 m -140.56 173.11 11.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.799 0.333 . . . . 1.76 111.104 -178.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -72.63 135.96 45.6 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.848 -0.427 . . . . 4.4 109.848 -178.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.84 -46.4 3.43 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.727 -0.749 . . . . 1.61 111.969 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . 0.51 HG22 ' H ' ' B' ' 72' ' ' ASP . 9.6 mm -76.36 178.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.618 -0.512 . . . . 2.04 109.618 179.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . 0.51 ' H ' HG22 ' B' ' 71' ' ' ILE . 14.8 m-20 69.93 69.74 0.23 Allowed 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.353 0.597 . . . . 3.32 111.111 173.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 15.4 m -117.07 -67.01 1.02 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.608 -0.724 . . . . 4.99 110.493 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -126.7 -60.89 1.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.935 0.346 . . . . 3.33 111.935 -175.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -113.48 5.92 16.89 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.534 0.568 . . . . 4.16 112.534 -172.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' TRP . . . . . 0.51 ' O ' ' HA ' ' B' ' 72' ' ' ASP . 75.0 m95 -123.38 137.58 54.79 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.234 0.54 . . . . 3.7 111.386 179.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' ASN . . . . . 0.416 ' HA ' ' OD1' ' B' ' 72' ' ' ASP . 6.6 t30 -124.76 135.05 52.64 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.021 -0.99 . . . . 3.0 108.425 174.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.482 ' OG ' ' HB3' ' B' ' 110' ' ' CYS . 5.8 t -115.67 173.53 6.49 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.29 0.567 . . . . 2.16 112.188 -173.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -171.31 140.09 1.4 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.28 -0.873 . . . . 4.07 109.478 178.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . 0.524 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 7.1 m -86.02 119.16 26.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.897 0.379 . . . . 1.67 110.781 -177.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 26.9 m -133.53 133.29 41.96 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.087 -0.506 . . . . 2.49 109.752 178.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.649 HG21 ' SG ' ' B' ' 58' ' ' CYS . 6.8 p -80.05 120.45 24.24 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-O 120.789 0.328 . . . . 3.09 110.692 177.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 14.9 t -76.03 153.33 36.52 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.131 -1.063 . . . . 3.17 108.131 174.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -121.89 130.11 53.1 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 120.967 0.413 . . . . 4.39 111.308 -172.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' THR . . . . . 0.624 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 10.3 t -114.0 158.89 20.58 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.366 -0.605 . . . . 1.61 109.366 177.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -106.53 115.94 31.07 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.956 0.408 . . . . 2.52 109.983 -178.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 16.2 m -110.39 139.5 33.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.937 -0.574 . . . . 1.59 110.955 -177.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . 0.512 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 20.7 pttm -68.38 114.43 6.82 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.835 -0.62 . . . . 4.22 110.719 178.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.53 142.83 50.68 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.687 -0.688 . . . . 1.57 110.195 178.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 23.3 tp -79.86 104.32 10.36 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.598 -0.89 . . . . 1.87 108.598 174.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' THR . . . . . 0.449 HG21 ' HA ' ' B' ' 38' ' ' VAL . 71.1 p -117.65 152.49 35.08 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.033 -0.53 . . . . 1.44 110.004 -175.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' THR . . . . . 0.459 ' CG2' ' HB ' ' B' ' 37' ' ' THR . 10.0 t -96.36 114.15 25.8 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.531 0.682 . . . . 1.63 109.314 177.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -63.85 -32.89 74.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.024 -0.989 . . . . 2.46 110.072 -177.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -158.19 -64.29 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.004 -0.998 . . . . 3.09 108.536 173.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -139.54 27.89 2.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.865 -0.607 . . . . 3.76 109.56 173.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -137.09 118.74 14.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.376 -0.829 . . . . 3.02 109.918 -177.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.82 122.15 21.1 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.103 -0.499 . . . . 1.8 110.431 177.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.91 145.73 33.35 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.073 -0.512 . . . . 1.79 110.493 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -74.79 114.22 12.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.14 -0.482 . . . . 2.87 111.05 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' ARG . . . . . 0.512 ' O ' ' HA ' ' B' ' 88' ' ' LYS . 33.5 mmt180 -114.0 173.38 6.46 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.509 -0.769 . . . . 3.93 109.498 176.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -119.63 108.0 13.93 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.373 -0.973 . . . . 2.75 108.373 176.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 39.8 pt -111.53 143.32 21.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.291 0.567 . . . . 1.33 111.457 -169.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.624 ' HA ' ' O ' ' B' ' 85' ' ' THR . 26.2 ptt180 -77.77 126.49 30.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.15 -0.932 . . . . 4.28 111.222 -176.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 46.4 pt -125.54 148.84 30.02 Favored 'Isoleucine or valine' 0 C--O 1.244 0.805 0 CA-C-N 115.647 -0.706 . . . . 1.36 110.033 173.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . 0.502 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 32.5 m-20 -66.09 110.05 2.82 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.18 -0.674 . . . . 1.69 109.18 176.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -91.03 -42.71 10.37 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.97 -0.559 . . . . 2.65 111.377 -170.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . 0.503 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -157.83 140.56 14.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.319 -0.4 . . . . 1.64 110.704 -178.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . 0.524 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 42.0 t -90.69 98.97 12.09 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.694 -0.854 . . . . 1.6 108.694 176.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 m -101.0 151.69 5.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.011 -0.541 . . . . 1.53 110.955 -173.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . 0.631 ' SG ' HG22 ' B' ' 14' ' ' VAL . 66.7 m -96.44 109.09 21.71 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.11 -0.496 . . . . 1.45 109.761 175.076 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.434 HG11 ' HA2' ' A' ' 10' ' ' GLY . 12.6 m -72.0 164.88 3.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.458 -0.792 . . . . 2.0 110.712 -177.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 69.2 mt -119.38 136.9 54.06 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.026 0.441 . . . . 1.86 109.986 174.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 43.3 t -131.58 141.15 49.61 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 108.603 -0.888 . . . . 3.01 108.603 173.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' ARG . . . . . 0.446 ' O ' ' HB2' ' B' ' 115' ' ' LYS . 20.5 tpt180 -76.33 8.93 2.93 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.468 -0.333 . . . . 7.45 110.549 -177.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . 0.446 ' HB2' ' O ' ' B' ' 114' ' ' ARG . 59.8 mtpt 78.03 -39.95 0.29 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.862 0.865 . . . . 4.91 111.012 179.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -115.75 78.15 1.15 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.148 -0.478 . . . . 4.74 109.795 173.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 11.2 p -109.42 6.38 24.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.184 0.516 . . . . 6.02 111.553 -177.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' ARG . . . . . 0.449 ' NE ' ' HA ' ' B' ' 118' ' ' ARG . 3.7 mmp_? . . . . . 0 C--O 1.247 0.924 0 CA-C-O 118.428 -0.796 . . . . 9.38 109.936 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 N--CA 1.476 0.841 0 CA-C-O 120.613 0.244 . . . . 14.21 110.574 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.0 m -127.92 108.36 10.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.525 -0.307 . . . . 12.85 110.236 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.9 p -81.9 69.47 8.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.214 0.53 . . . . 11.6 111.226 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -108.79 113.84 59.21 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 109.147 -0.686 . . . . 10.94 109.147 177.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.4 ' O ' ' HE2' ' A' ' 9' ' ' MET . 63.1 Cg_endo -73.76 66.44 4.84 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.757 2.305 . . . . 8.15 113.045 -176.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.3 t 55.2 87.17 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 C-N-CA 123.106 0.562 . . . . 7.04 111.464 175.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -60.57 -23.39 64.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.91 -0.586 . . . . 7.84 111.039 -179.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -62.08 -20.01 63.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 8.41 111.38 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.4 ' HE2' ' O ' ' A' ' 5' ' ' PRO . 58.5 mtm -73.78 -14.71 61.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.911 0.386 . . . . 5.62 110.124 177.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.02 4.57 55.94 Favored Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 111.396 -0.682 . . . . 4.39 111.396 175.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -100.62 12.26 37.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.991 0.424 . . . . 4.63 110.243 178.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -87.65 68.5 9.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.195 0.522 . . . . 4.02 110.648 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 m -61.36 118.72 7.29 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.439 -0.8 . . . . 2.58 110.041 177.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.8 m -57.87 -30.31 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.134 0 CA-C-O 120.952 0.406 . . . . 1.8 110.933 177.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.465 ' SG ' ' HB3' ' A' ' 60' ' ' ALA . 43.4 t -109.58 129.45 55.58 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.964 -0.562 . . . . 1.75 109.998 177.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -67.36 116.37 8.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.141 -0.481 . . . . 2.87 110.151 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.8 p -132.01 155.57 47.78 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.923 -0.581 . . . . 1.91 110.587 -177.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 56' ' ' THR . 7.1 p -122.83 115.89 47.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.082 0.468 . . . . 1.88 110.893 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.0 m -89.46 119.71 30.15 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.576 -0.527 . . . . 1.95 109.576 175.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 54' ' ' PHE . 53.7 t -118.31 137.48 52.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.092 -0.504 . . . . 1.55 110.973 -174.176 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.408 ' HA ' ' O ' ' A' ' 53' ' ' PHE . 97.6 m95 -95.08 96.91 9.55 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.826 -0.805 . . . . 1.86 108.826 173.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.4 t -78.79 136.11 24.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.238 -0.892 . . . . 1.41 110.288 -174.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.12 65.37 2.66 Favored Glycine 0 N--CA 1.45 -0.376 0 O-C-N 123.721 0.638 . . . . 1.36 112.616 -178.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 73.74 0.18 3.55 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.52 0.728 . . . . 3.02 112.018 172.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.3 tttt 51.85 -139.63 0.96 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.159 -0.473 . . . . 1.64 110.72 176.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.2 m -147.05 -51.07 0.2 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.123 -0.361 . . . . 2.12 110.822 176.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.0 p -133.06 146.3 51.55 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.486 -0.325 . . . . 1.54 110.596 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.39 164.56 29.9 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.327 -0.397 . . . . 1.29 110.719 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.9 m -103.95 118.91 37.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.407 -0.361 . . . . 1.53 110.693 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -69.42 162.41 27.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.693 -0.685 . . . . 1.85 110.204 177.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.0 tt -59.64 -25.83 32.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.889 0.376 . . . . 1.74 111.419 -178.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -79.54 -6.29 56.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.783 0.325 . . . . 2.65 111.116 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.94 20.58 39.01 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.867 -0.682 . . . . 1.25 111.926 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -95.19 131.78 40.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.565 0.221 . . . . 2.58 110.653 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -84.05 115.09 22.18 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.863 -0.791 . . . . 2.19 108.863 174.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.9 m -117.55 154.99 19.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 116.096 -0.502 . . . . 1.48 110.867 -175.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.2 m -91.75 128.36 37.56 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.726 -0.67 . . . . 1.5 110.043 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.474 ' HA ' HG21 ' A' ' 91' ' ' THR . 36.5 t -90.55 141.48 14.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.296 -0.411 . . . . 1.55 110.017 -179.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.2 mt -86.34 126.76 34.57 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.979 -0.555 . . . . 1.91 109.804 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.3 -25.78 67.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.451 0.643 . . . . 2.35 109.89 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -137.13 125.28 23.01 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.868 -1.06 . . . . 3.59 108.674 172.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 49' ' ' PHE . 31.6 m -89.61 126.74 42.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.285 0.564 . . . . 2.85 110.396 -176.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -83.53 98.43 9.55 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.896 0.855 . . . . 3.25 110.624 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.8 mm -106.17 152.6 7.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 N-CA-C 107.702 -1.222 . . . . 2.98 107.702 175.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -54.89 108.51 0.4 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.778 0.323 . . . . 3.91 111.097 -175.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 66.37 29.16 9.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.196 -0.911 . . . . 5.31 111.685 178.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.4 t -161.83 115.3 1.86 Allowed 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 121.038 0.446 . . . . 3.53 110.937 176.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.7 t -116.44 114.66 46.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 110.005 -0.369 . . . . 2.78 110.005 177.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.41 ' O ' HG23 ' A' ' 42' ' ' VAL . 47.4 p90 -144.59 164.59 30.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.801 0.334 . . . . 4.85 111.079 -175.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -84.23 146.01 28.03 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.017 -0.735 . . . . 5.38 109.017 175.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.42 ' HB2' ' CE ' ' B' ' 88' ' ' LYS . 1.5 pp0? -109.65 -15.3 14.19 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.288 -0.565 . . . . 5.18 112.513 -173.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 61.17 166.81 0.09 Allowed 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.255 0.835 . . . . 2.96 113.255 171.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.408 ' O ' ' HA ' ' A' ' 21' ' ' TRP . 40.8 m-85 -140.75 160.62 39.65 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.488 -0.778 . . . . 1.28 110.085 172.188 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.405 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 14.1 p90 -126.43 112.99 16.27 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.103 0.477 . . . . 4.41 109.817 176.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 32.3 mt-10 -121.89 124.12 43.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.267 -0.424 . . . . 1.49 110.385 -178.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 66.3 m -100.78 113.23 25.96 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.123 -0.489 . . . . 1.56 109.766 177.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -103.47 140.83 36.96 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.977 -0.556 . . . . 2.93 110.419 -175.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 77.3 m -76.89 106.69 8.72 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.182 -0.463 . . . . 1.77 110.511 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -75.85 -32.32 59.7 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.217 -0.66 . . . . 3.84 109.217 175.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 66' ' ' SER . . . -92.84 140.74 29.19 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.021 -0.99 . . . . 2.96 109.249 173.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.4 m -149.12 11.53 0.82 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.593 0.235 . . . . 3.02 111.577 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.405 ' O ' ' HA3' ' A' ' 67' ' ' GLY . 6.9 t30 -109.0 134.48 20.37 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 109.178 -0.675 . . . . 2.59 109.178 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.473 ' HA ' ' O ' ' A' ' 78' ' ' SER . 2.8 Cg_exo -34.9 -62.56 0.2 Allowed 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 124.225 3.283 . . . . 2.81 114.615 -173.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 58.5 t -123.27 -55.29 2.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 121.036 -0.266 . . . . 2.53 111.559 -176.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -45.31 -42.81 10.15 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 123.855 0.722 . . . . 4.19 112.141 -175.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.485 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 21.6 t -138.68 62.76 1.54 Allowed 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.774 -0.825 . . . . 4.07 108.774 176.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.405 ' HA3' ' O ' ' A' ' 62' ' ' ASN . . . -175.27 -118.05 0.51 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.849 -0.691 . . . . 2.7 112.59 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 86.0 m -84.94 74.76 10.46 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.552 0.691 . . . . 1.76 111.42 -172.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.8 mtm180 -67.2 126.21 28.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.34 -0.846 . . . . 4.4 109.931 175.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.38 -32.92 3.12 Favored Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 111.213 -0.755 . . . . 1.61 111.213 -174.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.0 mm -75.67 122.93 30.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 2.04 110.11 177.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -142.9 86.84 1.95 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.014 0.435 . . . . 3.32 110.662 -177.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.4 t -157.24 150.77 24.11 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.867 -0.606 . . . . 4.99 109.813 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -93.87 3.15 55.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.256 0.55 . . . . 3.32 109.895 177.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -102.66 -8.33 21.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.542 -0.754 . . . . 4.16 110.415 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.481 ' CE3' ' HB3' ' A' ' 112' ' ' LEU . 83.8 m95 -122.93 140.89 52.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.037 -0.529 . . . . 3.71 111.551 -174.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -118.93 135.05 54.79 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.967 -1.123 . . . . 3.0 107.967 167.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.473 ' O ' ' HA ' ' A' ' 63' ' ' PRO . 11.0 t -125.28 153.97 42.43 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.696 -0.402 . . . . 2.16 111.117 -172.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -173.82 174.38 3.09 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.466 -0.788 . . . . 4.07 109.305 175.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.505 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 35.5 m -103.38 138.92 39.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.196 -0.456 . . . . 1.67 110.732 -176.039 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 61.9 m -131.66 133.6 45.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.435 -0.348 . . . . 2.49 110.666 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.447 ' HB ' ' HB3' ' A' ' 105' ' ' ASP . 23.3 p -83.71 126.09 32.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.01 0.433 . . . . 3.09 110.7 177.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.8 p -90.15 128.9 36.46 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.225 -0.443 . . . . 3.17 110.57 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.428 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 10.8 p-80 -99.84 131.07 46.04 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.152 0.501 . . . . 4.4 110.86 -178.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.565 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 12.4 t -117.16 162.66 17.5 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.962 -0.755 . . . . 1.61 108.962 178.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -103.36 116.19 31.96 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.954 0.406 . . . . 2.52 110.084 -177.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.5 m -110.27 146.58 15.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.879 -0.6 . . . . 1.59 111.306 -176.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.45 ' CE ' ' HB2' ' B' ' 51' ' ' GLN . 15.4 pttm -75.76 106.68 7.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.28 -0.873 . . . . 4.22 110.871 177.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.16 137.67 51.31 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.952 -0.567 . . . . 1.57 110.722 178.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.0 tp -75.03 104.17 5.5 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.231 -0.655 . . . . 1.87 109.231 177.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.474 HG21 ' HA ' ' A' ' 38' ' ' VAL . 48.9 p -127.1 163.48 23.7 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.956 -0.565 . . . . 1.44 110.202 -175.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.2 t -110.4 111.07 22.11 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.394 0.616 . . . . 1.63 110.603 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -91.74 3.18 55.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.487 -0.779 . . . . 2.47 110.95 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -161.74 -75.78 0.05 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.175 -0.466 . . . . 3.09 109.907 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -140.26 -56.98 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.726 -0.472 . . . . 3.75 109.726 174.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -65.66 160.18 23.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.06 -0.518 . . . . 3.02 110.016 176.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -107.06 138.05 43.98 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.238 -0.437 . . . . 1.8 110.619 -178.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.73 150.79 40.57 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.224 -0.444 . . . . 1.79 110.61 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -74.31 99.31 3.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.133 -0.485 . . . . 2.88 110.101 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -99.73 164.29 12.11 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.631 -0.713 . . . . 3.92 109.68 -178.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -105.52 104.1 13.75 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.232 -0.655 . . . . 2.74 109.232 177.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 23.9 pt -112.74 145.82 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.058 -0.519 . . . . 1.33 111.384 -171.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.565 ' HA ' ' O ' ' A' ' 85' ' ' THR . 7.0 ptm180 -79.68 119.32 22.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.616 -0.72 . . . . 4.27 111.804 -176.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.428 ' O ' ' HA ' ' A' ' 84' ' ' HIS . 47.9 pt -121.01 143.24 33.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.8 -0.637 . . . . 1.36 109.504 170.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.447 ' HB3' ' HB ' ' A' ' 82' ' ' THR . 2.7 m-20 -76.24 98.14 4.37 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.253 -0.647 . . . . 1.69 109.253 178.26 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.9 t -93.9 -20.86 19.63 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.368 0.507 . . . . 2.66 112.368 -167.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.445 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -147.5 161.39 41.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.922 0.392 . . . . 1.64 111.516 -176.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.505 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 40.4 t -123.1 110.68 15.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.59 -0.732 . . . . 1.59 109.039 177.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.0 m -103.77 151.38 6.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.134 -0.485 . . . . 1.52 111.305 -173.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 36.7 t -94.21 121.27 35.54 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.465 -0.789 . . . . 1.45 108.873 174.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.7 m -114.07 156.25 15.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.89 0.376 . . . . 2.0 111.559 -176.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.481 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . 81.5 mt -122.68 137.63 54.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.865 -0.607 . . . . 1.86 109.816 173.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 48.1 t -122.89 141.83 51.46 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.815 -0.439 . . . . 3.01 109.815 178.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -73.66 -7.19 51.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.656 -0.702 . . . . 7.46 110.126 -179.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt 73.72 -50.87 0.69 Allowed 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.663 0.785 . . . . 4.91 111.407 178.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -72.37 -19.58 61.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.946 0.403 . . . . 4.73 110.842 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.493 ' O ' ' HD2' ' A' ' 118' ' ' ARG . 21.8 p -83.87 152.06 24.77 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.951 -0.568 . . . . 6.02 110.692 179.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.493 ' HD2' ' O ' ' A' ' 117' ' ' THR . 12.8 mmm180 . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.632 -0.699 . . . . 9.37 109.262 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.475 0.801 0 CA-C-O 120.686 0.279 . . . . 14.21 110.484 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 43.3 m -128.08 108.62 10.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.767 0.318 . . . . 12.86 110.287 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 3.0 p -82.25 69.25 8.94 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.129 0.49 . . . . 11.6 111.127 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -108.71 114.08 59.1 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 109.058 -0.719 . . . . 10.95 109.058 177.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . 0.402 ' O ' ' HE2' ' B' ' 9' ' ' MET . 65.0 Cg_endo -74.06 66.52 5.12 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.749 2.299 . . . . 8.15 113.095 -176.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 24.1 t 55.22 87.17 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 115.785 -0.643 . . . . 7.04 111.577 175.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -60.8 -23.16 64.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.985 -0.552 . . . . 7.83 110.932 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -62.39 -19.61 63.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.325 -0.398 . . . . 8.41 111.355 -179.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' MET . . . . . 0.402 ' HE2' ' O ' ' B' ' 5' ' ' PRO . 57.9 mtm -73.91 -14.92 61.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.988 0.423 . . . . 5.62 110.081 177.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -100.79 4.41 56.26 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 111.36 -0.696 . . . . 4.39 111.36 176.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -100.86 13.18 35.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.922 0.391 . . . . 4.62 110.182 178.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -88.45 68.27 8.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.215 0.531 . . . . 4.01 110.644 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 5.0 m -61.19 118.41 6.8 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.409 -0.814 . . . . 2.58 110.07 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.2 m -57.73 -30.44 37.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-O 120.996 0.427 . . . . 1.81 110.862 177.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.456 ' SG ' ' HB3' ' B' ' 60' ' ' ALA . 44.2 t -109.25 129.26 55.51 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.889 -0.596 . . . . 1.75 109.921 177.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -67.38 117.28 9.15 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.145 -0.48 . . . . 2.87 110.196 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 12.3 p -132.76 155.79 48.25 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.938 -0.573 . . . . 1.91 110.537 -177.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' B' ' 56' ' ' THR . 7.1 p -123.11 116.03 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-O 121.221 0.534 . . . . 1.88 110.774 179.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 48.8 m -89.66 119.64 30.25 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.667 -0.494 . . . . 1.95 109.667 175.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' B' ' 54' ' ' PHE . 57.3 t -118.34 137.77 51.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.256 -0.429 . . . . 1.55 110.762 -173.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . 0.422 ' HA ' ' O ' ' B' ' 53' ' ' PHE . 97.9 m95 -95.42 96.71 9.29 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.84 -0.8 . . . . 1.86 108.84 173.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 54.7 t -78.57 136.0 24.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-N 115.267 -0.879 . . . . 1.41 110.214 -174.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.08 65.31 2.65 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.825 -0.625 . . . . 1.36 112.493 -178.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 73.55 0.57 3.69 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.566 0.746 . . . . 3.01 112.0 172.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 50.6 tttt 51.91 -139.09 1.01 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 122.854 0.462 . . . . 1.64 110.728 176.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 25.4 m -147.21 -51.31 0.2 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.915 0.388 . . . . 2.11 110.837 175.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 7.4 p -133.18 146.11 51.22 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.312 -0.404 . . . . 1.53 110.396 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.22 165.09 28.48 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.258 -0.428 . . . . 1.29 110.585 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 15.2 m -104.38 118.71 37.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.372 -0.377 . . . . 1.52 110.773 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -69.21 162.81 26.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.923 -0.58 . . . . 1.84 110.163 177.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 17.0 tt -59.99 -25.53 33.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.982 0.42 . . . . 1.74 111.377 -178.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -79.92 -6.43 57.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.388 -0.369 . . . . 2.65 110.925 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.34 19.78 40.67 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.869 -0.681 . . . . 1.25 112.027 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -94.59 131.9 39.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.6 0.238 . . . . 2.58 110.719 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -84.24 114.79 22.08 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.941 -0.762 . . . . 2.19 108.941 174.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 35.6 m -117.37 155.02 19.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 116.007 -0.542 . . . . 1.48 110.955 -175.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 20.0 m -91.82 128.27 37.59 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.739 -0.664 . . . . 1.5 110.07 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.455 ' HA ' HG21 ' B' ' 91' ' ' THR . 36.4 t -90.59 141.49 14.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.32 -0.4 . . . . 1.55 110.089 -179.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 62.6 mt -86.5 126.72 34.64 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.031 -0.531 . . . . 1.91 109.794 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.46 -25.58 67.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.393 0.616 . . . . 2.34 110.031 178.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -137.13 125.22 22.93 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.969 -1.014 . . . . 3.59 108.657 172.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 31.4 m -89.52 126.53 42.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 121.329 0.585 . . . . 2.85 110.306 -176.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -83.55 98.6 9.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.905 0.86 . . . . 3.25 110.58 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.0 mm -106.17 152.58 7.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 107.666 -1.235 . . . . 2.98 107.666 175.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -55.26 108.82 0.46 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.94 0.4 . . . . 3.91 110.958 -175.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 66.29 29.16 9.68 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 114.988 -1.006 . . . . 5.31 111.779 178.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 29.0 t -162.07 115.39 1.8 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.95 0.405 . . . . 3.54 110.939 176.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 57.6 t -116.51 115.09 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.898 -0.408 . . . . 2.78 109.898 177.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -144.64 165.26 28.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.576 -0.284 . . . . 4.84 111.095 -175.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -85.06 146.08 27.35 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.919 -0.771 . . . . 5.38 108.919 176.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . 0.45 ' HB2' ' CE ' ' A' ' 88' ' ' LYS . 1.5 pp0? -109.65 -15.14 14.23 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.32 -0.552 . . . . 5.18 112.463 -173.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 60.99 166.97 0.09 Allowed 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.335 0.865 . . . . 2.96 113.335 171.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . 0.422 ' O ' ' HA ' ' B' ' 21' ' ' TRP . 40.4 m-85 -140.84 160.57 39.77 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.582 -0.735 . . . . 1.28 110.03 172.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' B' ' 20' ' ' VAL . 13.8 p90 -126.41 112.92 16.2 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.032 0.444 . . . . 4.41 109.906 175.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -121.68 124.16 43.62 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.298 -0.41 . . . . 1.49 110.508 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.427 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 71.1 m -101.07 113.32 26.22 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.659 -0.497 . . . . 1.57 109.659 177.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -103.38 140.31 37.62 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.934 -0.576 . . . . 2.93 110.465 -176.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 75.0 m -76.43 107.03 8.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.079 -0.509 . . . . 1.77 110.464 178.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -76.03 -32.37 59.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.517 0.675 . . . . 3.85 109.281 175.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' B' ' 66' ' ' SER . . . -92.77 140.64 29.31 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.192 -0.913 . . . . 2.96 109.273 173.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 50.4 m -149.2 12.32 0.83 Allowed 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.978 -0.289 . . . . 3.01 111.51 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -109.42 134.42 20.52 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 109.26 -0.644 . . . . 2.59 109.26 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . 0.483 ' HA ' ' O ' ' B' ' 78' ' ' SER . 2.7 Cg_exo -34.57 -62.75 0.19 Allowed 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 124.37 3.38 . . . . 2.81 114.602 -173.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 58.0 t -123.05 -55.26 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.959 -0.296 . . . . 2.53 111.66 -176.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -45.58 -42.36 11.02 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.822 0.701 . . . . 4.2 112.135 -175.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' SER . . . . . 0.506 ' O ' ' HB2' ' B' ' 60' ' ' ALA . 22.3 t -138.9 62.85 1.53 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.801 -0.815 . . . . 4.07 108.801 176.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -175.38 -118.15 0.51 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.764 -0.731 . . . . 2.7 112.534 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 86.4 m -85.03 75.0 10.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.528 0.68 . . . . 1.76 111.42 -172.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -67.14 126.56 29.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.251 -0.886 . . . . 4.4 109.96 175.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.03 -32.8 3.2 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.689 -0.767 . . . . 1.61 111.301 -175.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 48.9 mm -75.57 123.53 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.97 -0.382 . . . . 2.04 109.97 177.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -143.55 86.35 1.88 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.105 0.478 . . . . 3.32 110.681 -177.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 42.5 t -157.04 150.61 24.34 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.818 -0.628 . . . . 4.99 109.847 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -93.92 3.37 55.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.139 0.495 . . . . 3.33 109.769 177.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -102.82 -8.33 20.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.686 -0.688 . . . . 4.16 110.428 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' TRP . . . . . 0.469 ' CE3' ' HB3' ' B' ' 112' ' ' LEU . 83.8 m95 -122.94 140.67 52.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.248 0.546 . . . . 3.7 111.613 -174.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -118.83 134.98 54.78 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.091 -1.078 . . . . 3.0 108.091 167.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.483 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 10.8 t -125.5 153.76 43.09 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.749 -0.38 . . . . 2.16 111.039 -172.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -173.64 174.46 3.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.457 -0.792 . . . . 4.07 109.357 175.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . 0.503 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 35.4 m -103.51 138.98 39.47 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.142 -0.481 . . . . 1.67 110.724 -176.191 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 62.3 m -131.66 133.61 45.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.487 -0.324 . . . . 2.49 110.482 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.451 ' HB ' ' HB3' ' B' ' 105' ' ' ASP . 23.8 p -83.6 126.39 32.78 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 120.888 0.375 . . . . 3.09 110.791 177.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 14.3 p -90.22 128.68 36.45 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.244 -0.435 . . . . 3.17 110.718 179.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' HIS . . . . . 0.436 ' HA ' ' O ' ' B' ' 104' ' ' ILE . 11.0 p-80 -99.61 131.28 45.71 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.099 0.476 . . . . 4.39 110.746 -179.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' THR . . . . . 0.569 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 12.7 t -117.38 162.63 17.62 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.817 -0.808 . . . . 1.61 108.817 178.279 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -103.46 116.37 32.28 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.052 0.453 . . . . 2.52 110.03 -177.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 26.0 m -110.44 146.61 15.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.838 -0.619 . . . . 1.59 111.222 -176.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . 0.42 ' CE ' ' HB2' ' A' ' 51' ' ' GLN . 15.4 pttm -75.83 106.92 7.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.309 -0.859 . . . . 4.22 110.774 177.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.22 137.6 51.21 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.816 -0.629 . . . . 1.57 110.708 178.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 20.0 tp -74.99 104.24 5.5 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.201 -0.666 . . . . 1.87 109.201 177.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' THR . . . . . 0.455 HG21 ' HA ' ' B' ' 38' ' ' VAL . 51.2 p -127.12 163.44 23.81 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.868 -0.605 . . . . 1.44 110.294 -175.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 4.0 t -110.62 110.73 21.54 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.496 0.665 . . . . 1.63 110.55 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -91.31 3.38 55.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.405 -0.816 . . . . 2.46 110.885 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -161.84 -76.33 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.223 -0.444 . . . . 3.09 109.867 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -139.96 -56.87 0.56 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.795 -0.446 . . . . 3.76 109.795 175.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -65.7 159.98 23.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.122 -0.49 . . . . 3.02 110.024 176.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -107.23 137.84 44.53 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.291 -0.413 . . . . 1.8 110.705 -178.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.52 150.71 40.81 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.391 -0.368 . . . . 1.79 110.569 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -74.14 99.43 3.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.164 -0.471 . . . . 2.87 110.064 177.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -99.76 164.75 11.91 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.61 -0.723 . . . . 3.93 109.767 -179.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -106.05 104.11 13.75 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.2 -0.667 . . . . 2.75 109.2 177.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 24.0 pt -112.9 145.65 18.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.074 -0.512 . . . . 1.33 111.424 -171.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.569 ' HA ' ' O ' ' B' ' 85' ' ' THR . 6.9 ptm180 -79.4 119.1 21.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.6 -0.727 . . . . 4.28 111.822 -176.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' B' ' 84' ' ' HIS . 47.9 pt -120.95 143.18 33.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.848 -0.615 . . . . 1.36 109.583 170.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . 0.451 ' HB3' ' HB ' ' B' ' 82' ' ' THR . 2.5 m-20 -76.28 98.18 4.4 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.347 -0.612 . . . . 1.69 109.347 178.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 8.9 t -93.94 -20.94 19.54 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.311 0.486 . . . . 2.65 112.311 -167.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -147.53 161.36 41.26 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.698 -0.401 . . . . 1.64 111.554 -176.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . 0.503 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 41.3 t -122.98 110.72 15.73 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.583 -0.735 . . . . 1.6 109.037 177.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 20.7 m -103.83 151.35 6.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.089 0.471 . . . . 1.53 111.409 -173.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 36.6 t -94.1 121.32 35.48 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.794 -0.817 . . . . 1.45 108.794 174.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 21.7 m -114.0 156.53 14.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.916 0.389 . . . . 2.0 111.62 -176.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . 0.469 ' HB3' ' CE3' ' B' ' 76' ' ' TRP . 81.6 mt -122.94 137.82 54.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.893 -0.594 . . . . 1.86 109.674 173.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 47.5 t -123.08 141.81 51.56 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.824 -0.436 . . . . 3.01 109.824 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -73.85 -7.12 51.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.62 -0.718 . . . . 7.45 110.248 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt 73.71 -50.35 0.69 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.677 0.791 . . . . 4.91 111.338 178.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -72.75 -19.32 61.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.288 -0.415 . . . . 4.74 110.896 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' THR . . . . . 0.507 ' O ' ' HD2' ' B' ' 118' ' ' ARG . 21.9 p -84.31 152.46 24.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.902 -0.59 . . . . 6.02 110.606 179.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' ARG . . . . . 0.507 ' HD2' ' O ' ' B' ' 117' ' ' THR . 12.7 mmm180 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.447 -0.787 . . . . 9.38 109.691 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.9 p . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 110.257 -0.275 . . . . 14.21 110.257 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.6 m -144.55 21.51 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.836 0.35 . . . . 12.85 111.005 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.0 p -88.3 83.87 6.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.156 0.503 . . . . 11.6 110.944 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -123.13 107.95 32.52 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.183 -0.462 . . . . 10.94 110.748 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -83.35 54.35 4.61 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.699 2.266 . . . . 8.15 112.053 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.0 t 56.92 59.11 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.221 0 N-CA-C 108.98 -0.748 . . . . 7.04 108.98 -176.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 62.49 -84.12 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.093 -0.958 . . . . 7.84 109.657 -169.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -146.3 22.64 1.34 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.91 0.386 . . . . 8.41 110.306 171.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 15.7 ptp 40.43 48.22 2.39 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 114.669 -1.15 . . . . 5.62 112.677 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.46 -13.89 1.25 Allowed Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 111.38 -0.688 . . . . 4.39 111.38 177.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.15 42.25 1.12 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.144 0.497 . . . . 4.63 110.57 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -78.56 72.06 5.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.117 0.484 . . . . 4.02 110.565 177.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.7 t -77.74 134.1 38.15 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.677 -0.692 . . . . 2.58 109.66 177.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.439 ' O ' ' HB3' ' A' ' 68' ' ' CYS . 35.4 m -65.29 -21.75 29.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.008 -0.542 . . . . 1.8 110.844 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.3 t -121.46 134.27 55.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.834 -0.621 . . . . 1.75 110.407 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.416 ' CG ' HH21 ' A' ' 69' ' ' ARG . 1.1 m-20 -64.58 115.59 5.35 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.935 -0.575 . . . . 2.87 110.883 179.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.2 p -140.64 159.03 43.08 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.761 -0.654 . . . . 1.91 110.958 -176.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.5 p -125.24 121.03 59.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.005 -0.543 . . . . 1.88 110.631 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.421 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 49.3 m -92.07 121.69 33.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.378 -0.374 . . . . 1.95 110.118 177.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.4 t -118.75 137.87 51.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.477 -0.329 . . . . 1.55 110.902 -176.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -100.69 95.59 6.77 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.937 -0.764 . . . . 1.86 108.937 172.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.2 t -78.28 113.62 17.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.976 -0.556 . . . . 1.41 110.579 -176.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.61 -6.46 64.02 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.872 -0.68 . . . . 1.36 112.296 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -144.4 67.45 1.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.358 0.599 . . . . 3.02 110.124 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.737 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 57.1 tttp -85.16 95.69 9.23 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.758 -0.83 . . . . 1.64 108.758 175.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.1 t -69.47 -29.02 66.59 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.105 0.409 . . . . 2.12 112.105 -170.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 4.0 p -141.61 146.06 35.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.002 0.429 . . . . 1.54 111.345 -179.289 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -145.09 166.38 25.53 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.768 -0.651 . . . . 1.29 110.23 176.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.5 m -94.69 121.13 35.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.131 -0.486 . . . . 1.53 110.584 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -71.51 156.79 39.03 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.255 -0.884 . . . . 1.85 110.077 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.0 tt -64.51 -18.0 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.068 -0.515 . . . . 1.74 110.753 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -87.66 -4.5 58.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 2.65 111.13 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.67 24.22 28.69 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.779 -0.724 . . . . 1.25 111.964 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -99.49 165.48 11.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.94 0.4 . . . . 2.58 110.423 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -108.32 114.5 28.42 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.363 -0.977 . . . . 2.19 108.363 172.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 27' ' ' THR . 17.3 m -115.73 147.38 19.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.147 -0.479 . . . . 1.48 111.75 -173.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.6 m -87.82 110.82 20.78 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.392 -0.822 . . . . 1.5 110.004 179.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.737 ' HB ' ' O ' ' A' ' 25' ' ' LYS . 29.8 t -87.21 132.43 32.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.112 -0.494 . . . . 1.55 110.121 -176.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.505 ' C ' ' H ' ' A' ' 41' ' ' GLU . 82.9 mt -86.9 -19.93 28.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.274 -0.421 . . . . 1.91 111.286 -176.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 72.53 -30.75 0.21 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.713 0.805 . . . . 2.35 111.459 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.505 ' H ' ' C ' ' A' ' 39' ' ' LEU . 43.7 mt-10 -105.52 155.03 19.57 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.876 -0.787 . . . . 3.59 108.876 176.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.524 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 26.0 m -116.86 117.0 53.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.462 0.649 . . . . 2.85 110.856 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.442 ' H ' ' CD2' ' A' ' 90' ' ' LEU . 48.0 m-80 -96.35 99.77 11.43 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.481 -0.781 . . . . 3.25 109.252 177.225 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.0 mt -93.22 -84.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 C-N-CA 120.989 -0.284 . . . . 2.98 110.329 -178.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -125.52 -67.92 0.86 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.565 -0.532 . . . . 3.91 109.565 177.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -133.19 46.73 2.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.855 -0.611 . . . . 5.31 109.746 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.2 t -162.27 125.81 3.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.897 -0.592 . . . . 3.53 109.837 -177.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.524 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 36.9 t -127.15 96.61 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 2.78 110.212 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.497 ' O ' HG23 ' A' ' 42' ' ' VAL . 11.6 p90 -120.51 142.49 49.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.391 0.615 . . . . 4.85 111.48 -178.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.45 ' HG2' ' HG2' ' A' ' 41' ' ' GLU . 70.2 mtm180 -83.69 -164.81 0.97 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.244 -0.889 . . . . 5.38 111.38 -177.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.492 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 41.9 tp60 -150.39 -46.75 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.776 -0.647 . . . . 5.18 110.426 -178.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.492 ' HB2' ' O ' ' A' ' 51' ' ' GLN . 49.3 m-85 72.33 123.42 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.988 0.805 . . . . 2.96 110.005 -172.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -95.86 117.34 30.39 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.743 -0.662 . . . . 1.28 110.865 -174.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -83.73 107.68 16.31 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.315 -0.857 . . . . 4.41 110.53 -177.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.581 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 34.5 mt-10 -120.86 116.01 24.35 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.744 -0.662 . . . . 1.49 110.347 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.421 ' HA ' ' HA ' ' A' ' 19' ' ' SER . 57.9 m -95.63 114.42 26.17 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.812 -0.44 . . . . 1.56 109.812 175.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -107.64 140.63 40.36 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.998 -0.546 . . . . 2.93 110.604 -175.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.4 ' SG ' HG23 ' A' ' 82' ' ' THR . 39.0 m -73.42 107.76 5.89 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.419 -0.586 . . . . 1.77 109.419 176.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -83.9 -0.57 51.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.222 0.534 . . . . 3.84 109.92 -179.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -156.16 134.71 11.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.238 -0.892 . . . . 2.96 109.207 175.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.6 p -83.7 -30.78 26.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.236 0.541 . . . . 3.02 109.875 177.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -141.15 86.94 11.02 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.116 -0.947 . . . . 2.59 109.081 175.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -54.44 -33.98 79.63 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.728 2.285 . . . . 2.81 112.575 -178.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.9 m -118.33 155.4 20.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.574 -0.528 . . . . 2.53 109.574 176.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -79.33 64.16 4.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.452 0.644 . . . . 4.19 110.653 -175.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.8 p -177.65 -22.57 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.883 -1.053 . . . . 4.07 109.748 -178.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.412 ' CA ' ' HB2' ' A' ' 78' ' ' SER . . . 153.58 -115.56 0.68 Allowed Glycine 0 N--CA 1.445 -0.76 0 CA-C-N 115.638 -0.71 . . . . 2.7 111.37 179.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 14' ' ' VAL . 72.0 m -111.28 172.74 6.71 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.126 -0.324 . . . . 1.76 110.126 177.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.416 HH21 ' CG ' ' A' ' 16' ' ' ASP . 90.8 mtt180 -65.3 122.08 16.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.576 -0.284 . . . . 4.4 110.828 -175.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 85.61 -0.3 88.15 Favored Glycine 0 N--CA 1.454 -0.131 0 C-N-CA 120.874 -0.679 . . . . 1.61 113.644 172.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.483 HG22 ' H ' ' A' ' 73' ' ' SER . 50.4 mm -78.76 137.96 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.062 0.458 . . . . 2.04 110.378 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -54.68 -37.44 65.78 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.259 -0.882 . . . . 3.32 112.22 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.483 ' H ' HG22 ' A' ' 71' ' ' ILE . 31.3 t 77.04 -40.54 0.36 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.506 0.723 . . . . 4.99 112.154 175.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -73.84 -40.47 63.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.253 0.549 . . . . 3.32 110.518 -177.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -93.52 -15.35 25.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.737 -0.665 . . . . 4.16 111.031 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.449 ' O ' ' HA ' ' A' ' 73' ' ' SER . 90.4 m95 -142.25 115.4 8.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.441 -0.345 . . . . 3.71 111.502 -175.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.501 ' HB3' ' O ' ' A' ' 113' ' ' SER . 28.3 t-20 -86.19 137.15 32.86 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 107.904 -1.147 . . . . 3.0 107.904 170.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.747 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 3.1 m -111.07 143.92 41.02 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.943 0.401 . . . . 2.16 111.789 -170.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.415 ' O ' HG23 ' A' ' 111' ' ' VAL . 76.9 t80 -148.13 135.13 20.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.692 -0.686 . . . . 4.07 109.539 174.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.608 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 71.7 m -88.2 130.06 35.17 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.009 0.433 . . . . 1.67 111.102 -178.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.45 ' O ' HG21 ' A' ' 109' ' ' VAL . 60.1 m -137.73 133.92 34.71 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.914 -0.585 . . . . 2.49 109.884 178.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.4 HG23 ' SG ' ' A' ' 58' ' ' CYS . 24.3 p -81.4 129.76 34.76 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.857 0.361 . . . . 3.09 111.136 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.5 t -86.34 140.44 30.05 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 108.793 -0.818 . . . . 3.17 108.793 174.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -123.5 146.55 47.98 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.017 0.436 . . . . 4.4 111.485 -170.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.588 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 11.5 t -128.98 173.62 10.27 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.63 -0.714 . . . . 1.61 109.352 178.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -117.49 116.81 27.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.019 0.437 . . . . 2.52 110.93 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.3 m -114.39 139.75 38.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.813 -0.631 . . . . 1.59 110.029 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -87.42 116.08 25.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.581 0.705 . . . . 4.22 110.677 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -126.98 153.36 45.98 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.347 -0.842 . . . . 1.57 110.002 -178.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.442 ' CD2' ' H ' ' A' ' 43' ' ' ASN . 21.2 tp -73.66 112.84 10.14 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.303 0.573 . . . . 1.87 109.93 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 47.6 p -114.82 159.71 20.31 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.342 -0.844 . . . . 1.44 109.695 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.493 ' HA ' ' O ' ' A' ' 96' ' ' GLN . 9.9 t -111.62 123.61 50.6 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 121.622 0.725 . . . . 1.63 111.295 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -106.17 98.32 8.02 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.018 -0.992 . . . . 2.47 108.7 176.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 68.05 -80.63 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.363 -0.835 . . . . 3.09 110.606 -175.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -128.17 -13.26 5.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.801 0.334 . . . . 3.75 110.819 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.493 ' O ' ' HA ' ' A' ' 92' ' ' THR . 2.4 mp0 -85.36 156.31 20.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.41 -0.359 . . . . 3.02 110.532 -175.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -122.61 116.88 24.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.227 -0.442 . . . . 1.8 109.937 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.78 144.95 47.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.828 0.347 . . . . 1.79 111.313 -175.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 51.6 m95 -76.98 102.21 6.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.869 -0.605 . . . . 2.88 110.031 178.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -109.39 145.98 35.2 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.949 0.404 . . . . 3.92 111.14 -177.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -83.41 111.47 19.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.491 -0.777 . . . . 2.74 110.072 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 36.4 pt -114.23 148.86 16.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.751 -0.659 . . . . 1.33 110.441 -178.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.588 ' HA ' ' O ' ' A' ' 85' ' ' THR . 32.7 ptt180 -86.45 133.67 33.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.085 -0.507 . . . . 4.27 110.944 -177.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 40.4 pt -132.21 151.28 34.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.835 -0.621 . . . . 1.36 110.047 174.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.581 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 37.8 m-20 -86.82 119.83 27.45 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.821 -0.437 . . . . 1.69 109.821 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 18.5 p -90.69 -39.33 12.51 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.721 0.296 . . . . 2.66 111.603 -174.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -153.28 157.71 40.55 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.929 0.395 . . . . 1.64 111.095 -177.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.608 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 41.0 t -104.65 110.68 23.1 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.24 -0.652 . . . . 1.59 109.24 176.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.45 HG21 ' O ' ' A' ' 81' ' ' THR . 16.7 m -98.05 152.98 4.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.147 -0.478 . . . . 1.52 110.154 -176.252 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.747 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 53.0 t -107.71 104.7 14.28 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.423 -0.584 . . . . 1.45 109.423 177.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 79' ' ' TYR . 28.6 m -78.18 135.45 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.829 -0.434 . . . . 2.0 109.829 -179.283 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.446 ' HB3' ' HB3' ' A' ' 76' ' ' TRP . 72.7 mt -112.78 136.8 51.98 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.473 -0.331 . . . . 1.86 111.051 -177.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.501 ' O ' ' HB3' ' A' ' 77' ' ' ASN . 33.7 p 179.72 113.9 0.04 OUTLIER 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.728 -0.669 . . . . 3.01 110.161 173.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.442 ' HD2' ' O ' ' A' ' 114' ' ' ARG . 1.6 tmm_? -99.61 -32.39 11.11 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.146 -1.057 . . . . 7.46 108.146 167.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -120.38 150.31 40.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.481 -1.236 . . . . 4.91 109.199 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -73.51 -14.44 61.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.985 0.421 . . . . 4.73 111.066 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 10.8 p -98.75 141.26 31.78 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.887 -0.597 . . . . 6.02 110.385 176.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.043 -0.98 . . . . 9.37 110.739 -177.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 21.6 p . . . . . 0 N--CA 1.474 0.754 0 N-CA-C 110.317 -0.253 . . . . 14.21 110.317 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 58.2 m -144.68 21.62 1.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.829 0.347 . . . . 12.86 111.013 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 1.8 p -88.52 83.63 6.8 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.057 0.456 . . . . 11.6 110.953 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -122.84 107.99 33.14 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-O 121.111 0.482 . . . . 10.95 110.872 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -83.44 54.21 4.52 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 122.718 2.279 . . . . 8.15 112.0 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 17.2 t 57.16 59.2 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 N-CA-C 108.83 -0.804 . . . . 7.04 108.83 -176.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 62.4 -84.12 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.083 -0.962 . . . . 7.83 109.753 -169.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -146.39 22.65 1.32 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.006 0.431 . . . . 8.41 110.241 170.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 15.7 ptp 40.67 47.97 2.51 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 114.599 -1.182 . . . . 5.62 112.609 178.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.4 -13.6 1.28 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.85 -0.69 . . . . 4.39 111.384 177.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.43 42.55 1.11 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.207 0.527 . . . . 4.62 110.567 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -78.77 72.03 5.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.043 -0.526 . . . . 4.01 110.42 177.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 45.6 t -77.78 134.09 38.11 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.806 -0.634 . . . . 2.58 109.741 177.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.435 ' O ' ' HB3' ' B' ' 68' ' ' CYS . 35.4 m -65.14 -21.52 29.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.08 -0.509 . . . . 1.81 110.901 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 38.8 t -121.81 134.17 54.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.823 -0.626 . . . . 1.75 110.304 176.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . 0.416 ' CG ' HH21 ' B' ' 69' ' ' ARG . 1.0 OUTLIER -64.82 115.86 5.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.929 -0.578 . . . . 2.87 110.774 179.297 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 3.2 p -140.7 159.28 42.54 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.735 -0.666 . . . . 1.91 110.854 -176.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.7 p -125.29 121.29 60.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.14 -0.482 . . . . 1.88 110.736 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.423 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 48.1 m -92.56 121.59 34.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.389 -0.369 . . . . 1.95 110.154 177.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 68.7 t -118.77 137.91 51.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.313 -0.403 . . . . 1.55 111.0 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -100.84 95.97 6.98 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.907 -0.775 . . . . 1.86 108.907 172.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 23.6 t -78.61 113.64 18.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.94 -0.573 . . . . 1.41 110.53 -175.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.85 -5.94 64.01 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.833 -0.699 . . . . 1.36 112.269 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -144.68 67.12 1.25 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.386 0.612 . . . . 3.01 110.054 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.732 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 57.1 tttp -84.63 95.73 8.98 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.725 -0.842 . . . . 1.64 108.725 175.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 12.9 t -69.85 -29.02 66.17 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.04 0.385 . . . . 2.11 112.04 -170.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' B' ' 36' ' ' VAL . 4.3 p -141.52 145.95 35.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.051 0.453 . . . . 1.53 111.217 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.98 166.61 24.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.672 -0.695 . . . . 1.29 110.241 176.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 12.1 m -94.97 121.05 36.19 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.161 -0.472 . . . . 1.52 110.554 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -71.83 156.44 39.3 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.213 -0.903 . . . . 1.84 110.003 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.0 tt -64.08 -18.03 21.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.35 0.595 . . . . 1.74 110.845 179.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -87.54 -4.91 58.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.08 -0.509 . . . . 2.65 111.045 177.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.05 24.5 26.99 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.923 -0.656 . . . . 1.25 111.917 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -99.79 165.2 11.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.932 0.396 . . . . 2.58 110.452 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -107.54 114.9 29.2 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.517 -0.92 . . . . 2.19 108.517 172.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' B' ' 27' ' ' THR . 17.6 m -115.99 147.38 19.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.13 0.491 . . . . 1.48 111.754 -173.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 25.2 m -88.09 110.45 20.66 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.249 -0.887 . . . . 1.5 109.829 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.732 ' HB ' ' O ' ' B' ' 25' ' ' LYS . 31.0 t -87.11 132.45 32.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.179 -0.464 . . . . 1.55 110.025 -176.423 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . 0.505 ' C ' ' H ' ' B' ' 41' ' ' GLU . 83.2 mt -87.09 -19.47 28.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.256 -0.429 . . . . 1.91 111.217 -175.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . 71.99 -30.61 0.21 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.63 0.772 . . . . 2.34 111.488 -178.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.505 ' H ' ' C ' ' B' ' 39' ' ' LEU . 43.8 mt-10 -105.37 155.22 19.32 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.871 -0.788 . . . . 3.59 108.871 176.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.52 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 26.0 m -117.13 117.31 54.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 121.426 0.632 . . . . 2.85 110.69 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . 0.443 ' H ' ' CD2' ' B' ' 90' ' ' LEU . 48.1 m-80 -96.42 99.9 11.53 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.326 -0.852 . . . . 3.25 109.29 176.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 68.5 mt -93.25 -85.0 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.561 -0.29 . . . . 2.98 110.284 -179.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -124.94 -67.93 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.538 -0.542 . . . . 3.91 109.538 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -132.89 46.4 2.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.917 -0.583 . . . . 5.31 109.829 178.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 17.7 t -161.94 125.6 3.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.968 -0.56 . . . . 3.54 109.849 -177.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.52 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 36.0 t -126.81 96.83 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 2.78 110.101 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . 0.498 ' O ' HG23 ' B' ' 42' ' ' VAL . 12.0 p90 -120.61 142.43 49.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.349 0.595 . . . . 4.84 111.512 -178.402 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.443 ' HG2' ' HG2' ' B' ' 41' ' ' GLU . 69.7 mtm180 -83.63 -164.49 0.92 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.278 -0.874 . . . . 5.38 111.379 -177.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' B' ' 52' ' ' TYR . 42.0 tp60 -150.89 -46.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.717 -0.674 . . . . 5.18 110.521 -178.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' TYR . . . . . 0.48 ' HB2' ' O ' ' B' ' 51' ' ' GLN . 49.0 m-85 71.92 123.43 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.847 0.717 . . . . 2.96 109.982 -172.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -96.02 117.41 30.61 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.697 -0.683 . . . . 1.28 110.761 -174.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -83.74 107.58 16.26 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.371 -0.831 . . . . 4.41 110.559 -177.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . 0.581 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 34.9 mt-10 -120.66 116.24 24.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.761 -0.654 . . . . 1.49 110.316 179.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.423 ' HA ' ' HA ' ' B' ' 19' ' ' SER . 59.4 m -95.77 114.2 25.91 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.184 -0.462 . . . . 1.57 109.806 175.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -107.3 140.69 39.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.964 -0.562 . . . . 2.93 110.6 -175.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' CYS . . . . . 0.41 ' SG ' HG23 ' B' ' 82' ' ' THR . 38.4 m -73.59 107.52 5.9 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.566 -0.531 . . . . 1.77 109.566 176.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -83.75 -0.26 50.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.337 0.589 . . . . 3.85 109.954 -179.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -156.39 134.75 11.45 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.272 -0.876 . . . . 2.96 109.221 175.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 16.0 p -83.85 -30.55 26.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.145 0.498 . . . . 3.01 109.814 177.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -141.45 87.21 10.53 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.06 -0.973 . . . . 2.59 108.988 175.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -54.68 -34.1 82.42 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.806 2.338 . . . . 2.81 112.457 -178.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 35.9 m -118.23 155.28 20.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.114 -0.493 . . . . 2.53 109.696 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -79.17 64.27 4.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.524 0.678 . . . . 4.2 110.56 -175.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 24.4 p -177.79 -22.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.912 -1.04 . . . . 4.07 109.704 -178.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.417 ' CA ' ' HB2' ' B' ' 78' ' ' SER . . . 153.46 -115.49 0.68 Allowed Glycine 0 N--CA 1.443 -0.881 0 CA-C-N 115.651 -0.704 . . . . 2.7 111.461 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.435 ' HB3' ' O ' ' B' ' 14' ' ' VAL . 71.5 m -111.42 172.84 6.65 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 110.035 -0.358 . . . . 1.76 110.035 177.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . 0.416 HH21 ' CG ' ' B' ' 16' ' ' ASP . 91.0 mtt180 -65.41 122.05 16.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.611 -0.268 . . . . 4.4 110.796 -175.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 85.89 -0.54 87.83 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 1.61 113.6 171.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . 0.455 HG22 ' H ' ' B' ' 73' ' ' SER . 50.4 mm -78.6 138.01 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.161 0.505 . . . . 2.04 110.335 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -54.64 -37.47 65.71 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.233 -0.894 . . . . 3.32 112.203 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' SER . . . . . 0.455 ' H ' HG22 ' B' ' 71' ' ' ILE . 31.9 t 76.97 -40.24 0.36 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.652 0.781 . . . . 4.99 112.239 175.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -73.77 -40.72 63.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.204 0.526 . . . . 3.33 110.442 -177.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -93.69 -15.11 25.61 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.751 -0.658 . . . . 4.16 111.059 178.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' TRP . . . . . 0.456 ' HB3' ' HB3' ' B' ' 112' ' ' LEU . 90.6 m95 -142.47 115.54 8.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.515 -0.311 . . . . 3.7 111.483 -175.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' ASN . . . . . 0.506 ' HB3' ' O ' ' B' ' 113' ' ' SER . 28.4 t-20 -86.21 136.97 32.98 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.082 -1.081 . . . . 3.0 108.082 170.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.732 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 2.9 m -110.64 144.06 40.13 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.963 0.411 . . . . 2.16 111.99 -170.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . 0.416 ' O ' HG23 ' B' ' 111' ' ' VAL . 78.1 t80 -148.16 134.96 20.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.781 -0.645 . . . . 4.07 109.588 174.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . 0.605 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 72.4 m -88.19 129.82 35.23 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.046 0.451 . . . . 1.67 111.109 -178.322 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.445 ' O ' HG21 ' B' ' 109' ' ' VAL . 63.0 m -137.57 133.81 34.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.871 -0.604 . . . . 2.49 109.792 178.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.41 HG23 ' SG ' ' B' ' 58' ' ' CYS . 24.4 p -81.35 129.57 34.68 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.911 0.386 . . . . 3.09 111.158 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 6.9 t -86.34 140.43 30.06 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.872 -0.788 . . . . 3.17 108.872 174.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -123.81 145.73 48.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.024 0.44 . . . . 4.39 111.534 -170.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' THR . . . . . 0.597 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 11.5 t -128.19 174.0 9.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.515 -0.766 . . . . 1.61 109.455 178.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -117.82 116.89 27.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.012 0.435 . . . . 2.52 110.848 -179.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 21.0 m -114.52 139.76 38.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.642 -0.708 . . . . 1.59 109.968 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -87.57 116.03 25.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.505 0.669 . . . . 4.22 110.683 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -126.9 153.45 45.73 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.296 -0.865 . . . . 1.57 109.989 -178.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . 0.443 ' CD2' ' H ' ' B' ' 43' ' ' ASN . 21.2 tp -73.78 112.75 10.19 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.29 0.567 . . . . 1.87 110.019 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 49.1 p -114.59 159.94 19.86 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.298 -0.864 . . . . 1.44 109.748 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' THR . . . . . 0.499 ' HA ' ' O ' ' B' ' 96' ' ' GLN . 11.3 t -111.79 124.01 51.44 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.547 0.689 . . . . 1.63 111.108 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -106.59 98.03 7.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.275 -0.875 . . . . 2.46 108.714 176.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 68.6 -80.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.432 -0.804 . . . . 3.09 110.424 -176.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -127.99 -13.17 5.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.754 0.312 . . . . 3.76 110.833 177.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' GLN . . . . . 0.499 ' O ' ' HA ' ' B' ' 92' ' ' THR . 2.4 mp0 -85.51 156.06 20.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.398 -0.365 . . . . 3.02 110.587 -175.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -122.23 117.33 25.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.298 -0.41 . . . . 1.8 109.938 176.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.98 144.95 47.68 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.74 0.305 . . . . 1.79 111.325 -175.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -77.12 102.1 6.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.925 -0.58 . . . . 2.87 110.044 178.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -109.15 146.07 34.71 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.908 0.385 . . . . 3.93 111.138 -177.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -83.53 111.46 19.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.522 -0.763 . . . . 2.75 110.073 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 36.2 pt -114.26 149.17 16.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.937 -0.574 . . . . 1.33 110.347 -178.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.597 ' HA ' ' O ' ' B' ' 85' ' ' THR . 33.1 ptt180 -86.66 133.59 33.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.124 -0.489 . . . . 4.28 111.008 -177.051 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 40.7 pt -131.94 151.52 35.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.973 -0.558 . . . . 1.36 110.091 174.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . 0.581 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 35.6 m-20 -86.86 119.66 27.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.218 -0.447 . . . . 1.69 109.834 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 18.3 p -90.7 -39.15 12.6 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.629 -0.26 . . . . 2.65 111.67 -174.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -153.31 157.81 40.65 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.869 0.366 . . . . 1.64 111.094 -177.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . 0.605 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 41.2 t -104.73 110.56 22.94 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.227 -0.657 . . . . 1.6 109.227 176.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.445 HG21 ' O ' ' B' ' 81' ' ' THR . 16.5 m -97.94 153.05 4.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.302 -0.408 . . . . 1.53 110.268 -176.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . 0.732 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 52.7 t -107.77 104.55 14.08 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.517 -0.549 . . . . 1.45 109.517 177.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 79' ' ' TYR . 28.6 m -78.22 134.93 27.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.923 -0.399 . . . . 2.0 109.923 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . 0.456 ' HB3' ' HB3' ' B' ' 76' ' ' TRP . 72.9 mt -112.32 136.96 51.13 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.396 -0.365 . . . . 1.86 111.094 -177.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' SER . . . . . 0.506 ' O ' ' HB3' ' B' ' 77' ' ' ASN . 30.0 p 179.44 114.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.638 -0.71 . . . . 3.01 110.2 173.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' ARG . . . . . 0.424 ' O ' ' HD2' ' B' ' 114' ' ' ARG . 1.6 tmm_? -99.76 -32.42 11.04 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.188 -1.042 . . . . 7.45 108.188 167.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -120.29 150.01 41.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.341 -1.299 . . . . 4.91 109.296 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -73.28 -14.52 61.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 4.74 111.104 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 12.3 p -98.75 141.25 31.79 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.033 -0.53 . . . . 6.02 110.216 176.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.049 -0.977 . . . . 9.38 110.361 -177.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.0 p . . . . . 0 N--CA 1.475 0.808 0 CA-C-O 120.752 0.311 . . . . 14.21 110.461 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 p -114.19 44.13 1.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.088 0.47 . . . . 12.85 111.057 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.6 p -72.27 -28.47 63.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 11.6 110.534 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 19.5 p-80 -139.27 75.86 32.99 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.911 -0.586 . . . . 10.94 110.558 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -74.08 88.89 1.07 Allowed 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.429 2.086 . . . . 8.15 111.474 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.4 t 57.51 45.27 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 122.104 0.954 . . . . 7.04 109.389 -175.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -81.36 2.54 27.93 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.232 -0.895 . . . . 7.84 109.986 -176.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -63.64 -23.74 67.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.438 -0.801 . . . . 8.41 109.711 173.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 67.7 mtm -68.03 -19.93 64.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.944 -0.571 . . . . 5.62 110.125 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -77.12 -1.12 72.88 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 121.075 -0.583 . . . . 4.39 112.125 178.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -95.05 5.57 51.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.068 0.461 . . . . 4.63 110.076 177.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -94.44 139.77 30.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.026 -0.534 . . . . 4.02 110.559 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.2 t -143.09 158.1 43.92 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.851 -0.613 . . . . 2.58 109.353 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.1 m -72.44 -8.38 11.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.814 -0.63 . . . . 1.8 110.832 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.8 t -138.73 138.55 37.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.745 -0.661 . . . . 1.75 109.785 176.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.14 115.8 3.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.926 -0.579 . . . . 2.87 111.032 -178.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.7 m -112.8 142.18 45.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.682 -0.69 . . . . 1.91 111.269 -175.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.517 ' O ' ' HA ' ' A' ' 56' ' ' THR . 4.1 p -118.27 115.34 47.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.303 -0.408 . . . . 1.88 110.795 176.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.1 m -91.98 116.07 28.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.271 -0.422 . . . . 1.95 110.638 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.6 t -119.95 138.42 50.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.19 -0.459 . . . . 1.55 110.79 -177.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -96.71 96.13 8.39 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.783 -0.821 . . . . 1.86 108.783 170.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.6 t -86.13 112.59 22.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.561 -0.745 . . . . 1.41 111.122 -172.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.6 12.32 30.29 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.055 -0.818 . . . . 1.36 111.055 174.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -124.82 30.7 5.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.078 0.466 . . . . 3.02 110.037 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.6 tttp -88.59 102.84 15.34 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.479 -0.563 . . . . 1.64 109.479 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.481 ' O ' ' HA ' ' A' ' 37' ' ' THR . 9.0 t -103.64 -5.94 22.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.574 -0.285 . . . . 2.12 111.46 -176.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.1 p -141.46 133.55 27.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.814 0.34 . . . . 1.54 111.152 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.59 170.03 20.66 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.268 -0.424 . . . . 1.29 110.695 176.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' A' ' 34' ' ' LYS . 9.1 m -97.84 122.5 41.02 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.861 -0.608 . . . . 1.53 110.603 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.84 160.38 23.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.241 -0.891 . . . . 1.85 109.305 175.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.2 tt -58.97 -25.99 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.991 0.424 . . . . 1.74 111.185 -179.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -80.31 -9.63 59.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.339 -0.391 . . . . 2.65 111.391 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.17 13.28 39.74 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.725 -0.75 . . . . 1.25 112.554 178.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 29' ' ' THR . 75.6 mmtt -88.86 155.1 19.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.662 0.268 . . . . 2.58 110.577 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -101.49 115.45 30.55 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.07 -0.715 . . . . 2.19 109.07 175.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.6 m -126.2 158.31 35.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.171 0.51 . . . . 1.48 111.777 -173.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.481 ' HA ' ' O ' ' A' ' 26' ' ' THR . 44.7 m -83.63 112.08 19.7 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.062 -0.972 . . . . 1.5 110.63 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 53.9 t -84.15 135.05 25.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.849 -0.614 . . . . 1.55 110.032 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 68.7 mt -103.51 118.67 37.27 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 115.985 -0.552 . . . . 1.91 109.726 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.96 -14.16 61.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.606 0.717 . . . . 2.35 109.73 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -105.53 114.32 28.42 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 114.63 -1.168 . . . . 3.59 108.233 174.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 49' ' ' PHE . 27.8 m -95.88 108.37 21.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.885 0.85 . . . . 2.85 111.419 -176.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -88.97 99.38 12.37 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.681 -1.145 . . . . 3.25 109.092 176.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.9 mt -85.69 -64.75 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 120.778 -0.369 . . . . 2.98 110.307 -178.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.544 ' N ' HD21 ' A' ' 45' ' ' ASN . 0.0 OUTLIER -163.72 87.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.64 0.734 . . . . 3.91 109.714 177.244 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.4 m120 59.78 40.34 19.67 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.174 -0.921 . . . . 5.31 110.306 -176.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.4 t -164.86 119.37 1.33 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.639 -0.71 . . . . 3.53 109.375 -178.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.5 t -111.84 133.2 58.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.249 -0.432 . . . . 2.78 110.723 -177.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.45 ' O ' HG22 ' A' ' 42' ' ' VAL . 96.2 m-85 -124.47 144.0 50.33 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.384 -0.371 . . . . 4.85 110.268 177.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -106.59 133.53 51.13 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.344 -0.389 . . . . 5.38 110.553 178.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.89 150.69 22.81 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.49 -0.559 . . . . 5.18 109.49 176.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -108.66 159.46 16.72 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.467 -0.333 . . . . 2.96 110.462 -171.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -99.29 133.52 43.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.264 -0.425 . . . . 1.28 110.858 -178.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -85.27 98.87 10.76 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.29 -0.414 . . . . 4.41 110.312 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -114.51 111.13 20.9 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.95 0.405 . . . . 1.49 110.598 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.517 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 91.3 m -99.14 107.28 19.61 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.125 -0.489 . . . . 1.56 109.764 174.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -103.45 168.74 8.97 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.918 -0.583 . . . . 2.93 111.028 -174.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 81.7 m -86.53 125.42 33.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.787 -0.642 . . . . 1.77 109.909 177.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.484 ' NE ' ' HB ' ' A' ' 18' ' ' VAL . 74.1 mtt180 -77.79 -10.65 59.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.128 0.489 . . . . 3.84 110.697 178.03 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -158.09 155.94 30.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.69 -0.686 . . . . 2.96 109.732 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.43 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 27.6 m -86.68 -28.95 22.83 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.352 -0.61 . . . . 3.02 109.352 174.289 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -142.19 94.88 6.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.007 -0.997 . . . . 2.59 109.112 175.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.56 -31.58 94.77 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.579 2.186 . . . . 2.81 112.302 -178.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.0 m -117.96 152.71 19.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.096 -0.705 . . . . 2.53 109.096 175.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -78.19 70.94 4.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.35 0.595 . . . . 4.19 110.658 -175.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.1 t 178.09 -39.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.812 -1.086 . . . . 4.07 109.039 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.444 ' CA ' ' HB2' ' A' ' 78' ' ' SER . . . 179.89 -111.23 0.31 Allowed Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.73 -0.668 . . . . 2.7 111.745 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 86.3 m -123.41 174.33 7.43 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.287 -0.264 . . . . 1.76 110.287 179.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 54.9 mtt-85 -71.29 121.67 18.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.452 -0.34 . . . . 4.4 110.958 -175.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.24 -7.64 80.94 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.737 -0.744 . . . . 1.61 113.357 173.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.401 HG23 ' N ' ' A' ' 73' ' ' SER . 50.1 mm -76.78 135.32 26.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.893 0.378 . . . . 2.04 111.095 -178.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -48.61 -47.85 39.76 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.282 -0.872 . . . . 3.32 111.309 174.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.401 ' N ' HG23 ' A' ' 71' ' ' ILE . 16.7 t 70.83 -1.99 2.45 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.373 -0.831 . . . . 4.99 112.569 169.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -99.12 -40.73 7.85 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.192 0.52 . . . . 3.32 109.818 178.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -92.08 -1.76 57.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.829 -0.623 . . . . 4.16 110.226 177.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 19.6 m-90 -146.31 136.62 23.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.09 -0.505 . . . . 3.71 111.117 -177.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 113' ' ' SER . 85.8 m-20 -88.36 141.03 28.87 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 107.319 -1.363 . . . . 3.0 107.319 164.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.656 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 6.0 m -117.9 142.79 46.94 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.858 0.361 . . . . 2.16 111.315 -173.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.43 ' CE2' ' HB3' ' A' ' 61' ' ' SER . 79.3 t80 -151.94 133.84 14.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.022 -0.536 . . . . 4.07 109.721 177.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 64.2 m -79.3 120.59 23.98 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.15 0.5 . . . . 1.67 110.614 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 38.3 m -125.29 132.43 52.9 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.747 -0.66 . . . . 2.49 109.622 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 107' ' ' ALA . 3.3 p -80.08 135.04 36.25 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.959 0.409 . . . . 3.09 111.444 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.9 m -76.38 124.05 26.93 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.323 -0.621 . . . . 3.17 109.323 176.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -97.94 115.74 28.75 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.347 -0.388 . . . . 4.4 110.163 -176.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.496 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 6.7 t -111.66 157.99 19.8 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.77 -0.826 . . . . 1.61 108.77 177.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.449 ' CE2' ' HB3' ' A' ' 103' ' ' ARG . 95.9 m-85 -107.28 116.92 32.78 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.901 0.381 . . . . 2.52 110.372 -175.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.2 m -112.19 154.96 13.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.981 -0.554 . . . . 1.59 111.459 -176.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -81.4 106.38 13.31 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.203 -0.908 . . . . 4.22 109.93 -178.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.18 145.81 50.91 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.83 0.348 . . . . 1.57 111.06 -178.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.9 tp -80.66 115.81 20.36 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.767 -0.827 . . . . 1.87 108.767 175.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 68.9 p -125.29 149.14 48.34 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.522 -0.308 . . . . 1.44 110.93 -175.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.9 t -120.26 111.65 18.06 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.475 0.655 . . . . 1.63 109.87 175.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -72.73 -37.88 67.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.627 -0.715 . . . . 2.47 110.213 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -135.21 -79.98 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 3.09 110.768 177.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -125.45 -7.98 6.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.565 -0.289 . . . . 3.75 111.774 -176.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -114.62 127.49 55.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.989 0.423 . . . . 3.02 110.969 -175.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -87.06 123.84 32.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.79 -0.641 . . . . 1.8 110.369 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -138.1 146.8 43.32 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.25 -0.432 . . . . 1.79 110.506 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 86.0 m95 -74.6 119.24 18.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.013 -0.54 . . . . 2.88 110.569 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -129.75 169.92 14.51 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.664 -0.698 . . . . 3.92 109.961 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -98.9 118.47 35.73 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.658 -0.701 . . . . 2.74 109.905 174.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 36.8 pt -113.82 144.17 21.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.42 -0.355 . . . . 1.33 110.174 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.496 ' HA ' ' O ' ' A' ' 85' ' ' THR . 38.1 ptt180 -85.01 120.93 27.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.924 -0.58 . . . . 4.27 110.445 -178.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 49.3 pt -113.86 153.03 15.46 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.98 -0.555 . . . . 1.36 110.146 176.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -82.02 93.08 6.9 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.586 -0.894 . . . . 1.69 108.586 178.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.4 t -92.96 -16.23 25.35 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.371 0.508 . . . . 2.66 112.371 -168.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.423 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -155.51 164.05 39.19 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.526 -0.176 . . . . 1.64 110.526 -177.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 42.4 t -124.89 115.94 21.42 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.916 -0.402 . . . . 1.59 109.916 177.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 19.3 m -117.07 167.02 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.054 -0.521 . . . . 1.52 109.947 -178.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.656 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 48.0 t -114.47 119.65 37.59 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.759 -0.459 . . . . 1.45 109.759 176.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 78' ' ' SER . 12.1 m -84.47 146.22 7.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.983 -0.553 . . . . 2.0 109.569 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.7 mt -124.16 136.41 54.17 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.748 -0.381 . . . . 1.86 110.667 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.42 ' O ' ' HB2' ' A' ' 77' ' ' ASN . 46.2 t -179.09 109.62 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.0 -0.545 . . . . 3.01 110.993 174.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -100.09 -15.33 18.24 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.841 -0.8 . . . . 7.46 108.841 164.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -162.27 33.28 0.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.257 -0.883 . . . . 4.91 111.223 -168.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -121.67 131.61 54.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.547 0.213 . . . . 4.73 111.19 -177.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 64.9 p 56.13 174.81 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.236 1.014 . . . . 6.02 113.151 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.523 ' NE ' ' HA ' ' A' ' 118' ' ' ARG . 5.4 tpm_? . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.051 -0.976 . . . . 9.37 111.28 -178.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 18.8 p . . . . . 0 N--CA 1.472 0.662 0 CA-C-O 120.827 0.346 . . . . 14.21 110.241 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 13.3 p -114.22 44.26 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.988 0.423 . . . . 12.86 111.007 -178.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 7.5 p -72.36 -28.37 62.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.206 0.527 . . . . 11.6 110.787 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 -139.31 75.76 32.95 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.828 -0.623 . . . . 10.95 110.448 178.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.94 89.35 1.02 Allowed 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.373 2.049 . . . . 8.15 111.52 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 6.5 t 57.13 45.07 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-O 122.109 0.957 . . . . 7.04 109.384 -175.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -81.19 2.59 27.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.237 -0.892 . . . . 7.83 110.047 -176.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -63.74 -23.79 67.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.43 -0.805 . . . . 8.41 109.641 173.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 67.8 mtm -67.93 -19.85 65.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.984 -0.553 . . . . 5.62 110.353 176.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.74 -2.21 75.29 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.989 -0.551 . . . . 4.39 112.021 178.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -94.47 5.91 50.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.907 0.384 . . . . 4.62 110.0 178.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -94.74 139.78 30.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.033 -0.531 . . . . 4.01 110.514 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 37.8 t -143.31 157.9 44.09 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.678 -0.692 . . . . 2.58 109.36 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 27.9 m -72.21 -8.27 11.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.782 -0.645 . . . . 1.81 110.944 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 48.9 t -138.78 138.51 37.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.7 -0.682 . . . . 1.75 109.85 176.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.14 115.8 3.43 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.981 -0.554 . . . . 2.87 111.167 -178.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 19.6 m -112.97 142.31 45.8 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.752 -0.658 . . . . 1.91 111.095 -174.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.521 ' O ' ' HA ' ' B' ' 56' ' ' THR . 3.9 p -118.31 115.59 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.18 -0.464 . . . . 1.88 110.865 176.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 49.7 m -92.32 115.99 28.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.437 -0.347 . . . . 1.95 110.63 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 46.3 t -119.67 138.46 50.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.293 -0.412 . . . . 1.55 110.839 -177.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -96.69 96.3 8.52 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.716 -0.846 . . . . 1.86 108.716 170.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 21.7 t -86.23 112.64 22.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.717 -0.674 . . . . 1.41 111.19 -172.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.55 12.4 30.43 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.905 -0.878 . . . . 1.36 110.905 174.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -125.05 30.75 5.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.11 0.481 . . . . 3.01 110.151 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 40.8 tttp -88.54 102.26 14.75 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.058 -0.519 . . . . 1.64 109.612 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.477 ' O ' ' HA ' ' B' ' 37' ' ' THR . 8.8 t -103.05 -5.63 23.14 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.468 -0.333 . . . . 2.11 111.539 -176.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.1 p -141.95 133.91 27.37 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.714 0.292 . . . . 1.53 110.978 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.78 170.3 20.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.137 -0.483 . . . . 1.29 110.546 176.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' THR . . . . . 0.443 ' HA ' ' O ' ' B' ' 34' ' ' LYS . 9.4 m -98.2 122.46 41.38 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.795 -0.639 . . . . 1.52 110.698 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -66.0 160.48 23.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.245 -0.889 . . . . 1.84 109.373 175.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 13.3 tt -58.56 -26.64 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.954 0.407 . . . . 1.74 111.16 -179.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -79.76 -10.27 59.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.273 -0.421 . . . . 2.65 111.254 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.84 12.95 38.77 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.711 -0.756 . . . . 1.25 112.618 178.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.443 ' O ' ' HA ' ' B' ' 29' ' ' THR . 75.7 mmtt -88.56 155.36 19.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.732 0.301 . . . . 2.58 110.578 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -101.57 115.36 30.33 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.156 -0.683 . . . . 2.19 109.156 175.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 29.5 m -126.17 158.17 35.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.144 0.497 . . . . 1.48 111.679 -173.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' THR . . . . . 0.477 ' HA ' ' O ' ' B' ' 26' ' ' THR . 40.3 m -83.43 112.06 19.6 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.094 -0.957 . . . . 1.5 110.621 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 54.3 t -84.06 135.01 25.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.868 -0.605 . . . . 1.55 109.945 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 68.5 mt -103.46 119.03 38.09 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.106 -0.497 . . . . 1.91 109.717 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.52 -13.68 60.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.69 0.757 . . . . 2.34 109.784 177.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -105.73 114.23 28.26 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 114.627 -1.17 . . . . 3.59 108.154 174.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.438 HG22 ' O ' ' B' ' 49' ' ' PHE . 27.8 m -95.86 108.36 21.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.874 0.845 . . . . 2.85 111.485 -176.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -88.93 99.46 12.42 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.755 -1.111 . . . . 3.25 109.049 176.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 63.1 mt -85.83 -64.88 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.867 0.365 . . . . 2.98 110.251 -178.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . 0.539 ' N ' HD21 ' B' ' 45' ' ' ASN . 0.0 OUTLIER -163.46 87.4 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.846 -0.616 . . . . 3.91 109.726 177.172 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 19.7 m120 59.72 40.58 19.62 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.313 -0.858 . . . . 5.31 110.439 -176.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 15.6 t -165.23 118.45 1.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.592 -0.731 . . . . 3.54 109.372 -178.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 40.2 t -111.02 133.66 55.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.092 -0.504 . . . . 2.78 110.567 -178.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . 0.438 ' O ' HG22 ' B' ' 42' ' ' VAL . 96.2 m-85 -124.72 144.28 50.31 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.339 -0.391 . . . . 4.84 110.249 177.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -106.6 133.8 50.73 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.354 -0.384 . . . . 5.38 110.637 177.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.22 150.93 22.4 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.565 -0.532 . . . . 5.18 109.565 176.51 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -108.9 159.8 16.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.488 -0.324 . . . . 2.96 110.54 -171.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -99.56 133.45 43.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.302 -0.408 . . . . 1.28 110.791 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -85.22 98.87 10.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.404 -0.362 . . . . 4.41 110.289 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -114.49 111.17 20.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.991 0.424 . . . . 1.49 110.741 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.521 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 90.3 m -99.14 107.55 19.94 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.078 -0.51 . . . . 1.57 109.627 174.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -103.68 168.83 8.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.926 -0.579 . . . . 2.93 111.033 -174.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 80.4 m -86.74 125.43 33.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.712 -0.676 . . . . 1.77 109.985 177.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . 0.483 ' NE ' ' HB ' ' B' ' 18' ' ' VAL . 74.0 mtt180 -77.52 -11.23 59.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.032 0.444 . . . . 3.85 110.628 178.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -157.66 156.09 31.15 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.691 -0.686 . . . . 2.96 109.756 178.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' SER . . . . . 0.428 ' HB3' ' CE2' ' B' ' 79' ' ' TYR . 25.3 m -86.78 -28.66 22.85 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.39 -0.596 . . . . 3.01 109.39 174.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -142.55 94.93 6.6 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.024 -0.989 . . . . 2.59 109.096 175.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -58.46 -31.97 95.33 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.501 2.134 . . . . 2.81 112.162 -178.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 28.7 m -117.4 152.84 19.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.777 -0.647 . . . . 2.53 109.336 175.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -78.52 71.37 4.98 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.44 0.638 . . . . 4.2 110.573 -175.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 21.4 t 177.86 -40.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.634 -1.166 . . . . 4.07 108.995 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.452 ' CA ' ' HB2' ' B' ' 78' ' ' SER . . . 179.91 -111.39 0.31 Allowed Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.668 -0.697 . . . . 2.7 111.772 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 86.0 m -123.23 174.71 7.11 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.336 -0.246 . . . . 1.76 110.336 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 54.8 mtt180 -71.56 122.14 19.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.413 -0.358 . . . . 4.4 110.872 -175.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.94 -7.96 79.58 Favored Glycine 0 CA--C 1.517 0.18 0 C-N-CA 120.878 -0.677 . . . . 1.61 113.47 173.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . 0.416 HG23 ' N ' ' B' ' 73' ' ' SER . 50.3 mm -76.74 135.06 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.054 0.454 . . . . 2.04 111.06 -178.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -48.41 -47.82 37.51 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.112 -0.949 . . . . 3.32 111.401 174.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' SER . . . . . 0.416 ' N ' HG23 ' B' ' 71' ' ' ILE . 16.3 t 70.83 -2.12 2.4 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.397 -0.819 . . . . 4.99 112.672 169.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -99.06 -40.79 7.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.174 0.511 . . . . 3.33 109.735 178.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -91.89 -2.2 56.94 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.799 -0.637 . . . . 4.16 110.232 177.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . 19.7 m-90 -146.04 136.47 23.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 3.7 111.165 -176.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' B' ' 113' ' ' SER . 86.0 m-20 -88.19 140.95 28.96 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.253 -1.388 . . . . 3.0 107.253 164.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.659 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 5.9 m -117.75 143.05 46.59 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.799 0.333 . . . . 2.16 111.262 -173.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . 0.428 ' CE2' ' HB3' ' B' ' 61' ' ' SER . 78.9 t80 -152.02 134.0 14.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.072 -0.513 . . . . 4.07 109.732 177.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 64.1 m -79.64 120.44 23.97 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.007 0.432 . . . . 1.67 110.572 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 37.4 m -125.18 132.93 52.95 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.782 -0.645 . . . . 2.49 109.553 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.418 ' HA ' ' O ' ' B' ' 107' ' ' ALA . 3.1 p -80.62 135.03 35.98 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.119 0.485 . . . . 3.09 111.289 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 7.0 m -76.26 123.95 26.72 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 109.346 -0.613 . . . . 3.17 109.346 176.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -97.95 116.01 29.31 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.245 -0.434 . . . . 4.39 110.08 -176.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' THR . . . . . 0.504 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 6.8 t -111.96 157.92 20.12 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.855 -0.794 . . . . 1.61 108.855 177.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.442 ' CE2' ' HB3' ' B' ' 103' ' ' ARG . 96.3 m-85 -107.21 116.73 32.45 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.911 0.386 . . . . 2.52 110.437 -175.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 22.8 m -112.04 155.02 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.932 -0.576 . . . . 1.59 111.368 -176.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -81.62 106.48 13.6 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.139 -0.937 . . . . 4.22 109.815 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.24 145.63 50.98 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.41 -0.359 . . . . 1.57 111.022 -178.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 25.0 tp -80.4 115.78 20.12 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.81 -0.811 . . . . 1.87 108.81 175.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 70.8 p -125.38 148.95 48.57 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 120.678 0.275 . . . . 1.44 110.875 -175.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 5.0 t -120.13 111.83 18.35 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.282 0.563 . . . . 1.63 109.794 175.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -72.92 -37.85 67.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.625 -0.716 . . . . 2.46 110.196 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -134.9 -80.19 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.173 -0.467 . . . . 3.09 110.868 177.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -125.39 -8.04 6.95 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.807 0.299 . . . . 3.76 111.807 -176.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -114.65 127.21 55.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.976 0.417 . . . . 3.02 110.961 -175.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.84 124.26 32.88 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.887 -0.597 . . . . 1.8 110.341 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -138.26 146.97 43.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.265 -0.425 . . . . 1.79 110.423 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -74.91 118.91 18.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.06 -0.518 . . . . 2.87 110.626 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -129.48 169.54 14.84 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.773 -0.649 . . . . 3.93 109.997 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -98.54 118.46 35.28 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.736 -0.665 . . . . 2.75 110.017 174.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 37.1 pt -113.88 144.14 22.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.883 0.373 . . . . 1.33 110.175 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.504 ' HA ' ' O ' ' B' ' 85' ' ' THR . 37.9 ptt180 -85.04 120.7 26.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.936 -0.575 . . . . 4.28 110.364 -178.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 48.9 pt -113.72 152.89 15.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 116.038 -0.528 . . . . 1.36 110.129 176.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -81.7 93.13 6.72 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.656 -0.868 . . . . 1.69 108.656 177.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 10.3 t -92.9 -16.41 25.24 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.317 0.488 . . . . 2.65 112.317 -168.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . 0.418 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -155.44 163.99 39.3 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.542 -0.17 . . . . 1.64 110.542 -177.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 42.0 t -124.78 116.02 21.63 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.897 -0.408 . . . . 1.6 109.897 177.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 19.3 m -117.1 167.18 10.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.121 -0.49 . . . . 1.53 109.963 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . 0.659 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 47.1 t -114.63 119.78 37.91 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.715 -0.476 . . . . 1.45 109.715 176.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' B' ' 78' ' ' SER . 11.9 m -84.45 146.36 6.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.935 -0.575 . . . . 2.0 109.519 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 83.0 mt -124.36 136.31 53.99 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.769 -0.372 . . . . 1.86 110.579 -179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' SER . . . . . 0.431 ' O ' ' HB2' ' B' ' 77' ' ' ASN . 48.4 t -179.06 109.71 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.06 -0.518 . . . . 3.01 111.054 174.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -100.09 -15.69 18.11 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.881 -0.785 . . . . 7.45 108.881 164.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -161.94 33.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.143 -0.935 . . . . 4.91 111.28 -168.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -121.49 131.53 54.2 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.144 -0.223 . . . . 4.74 111.181 -177.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 67.4 p 56.34 174.92 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.351 1.06 . . . . 6.02 113.177 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' ARG . . . . . 0.524 ' NE ' ' HA ' ' B' ' 118' ' ' ARG . 5.3 tpm_? . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.034 -0.984 . . . . 9.38 111.344 -178.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 110.02 -0.363 . . . . 14.21 110.02 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t -140.12 36.78 1.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.364 0.602 . . . . 12.85 110.231 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.2 p -87.58 86.16 7.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.064 -0.516 . . . . 11.6 110.468 177.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.0 t60 -135.92 74.9 56.28 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.937 -0.574 . . . . 10.94 110.295 -178.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -82.51 42.86 1.38 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.735 2.29 . . . . 8.15 112.304 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.433 HG11 ' O ' ' A' ' 6' ' ' VAL . 12.8 t 55.31 36.14 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 115.731 -0.668 . . . . 7.04 110.168 -179.086 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.639 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 85.9 m-85 51.61 33.61 11.04 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.753 -0.658 . . . . 7.84 111.296 -177.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 59.3 m80 62.26 12.58 5.27 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.714 -0.676 . . . . 8.41 110.911 178.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.1 ptp 42.27 37.14 0.84 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.329 1.052 . . . . 5.62 111.488 -175.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.95 -28.41 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.59 -0.732 . . . . 4.39 112.956 -176.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.639 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 13.0 pt-20 -96.86 39.03 1.19 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.562 0.696 . . . . 4.63 110.694 179.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.453 ' HB2' ' HB ' ' B' ' 111' ' ' VAL . 23.6 m-85 -95.86 155.33 16.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.499 -0.773 . . . . 4.02 110.425 177.106 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.2 t -150.3 147.21 27.36 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.451 -0.574 . . . . 2.58 109.451 176.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.5 m -69.58 -14.41 18.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.015 -0.539 . . . . 1.8 110.628 177.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.2 m -113.89 136.73 52.57 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.112 -0.949 . . . . 1.75 110.115 177.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -65.6 114.15 4.73 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.347 -0.612 . . . . 2.87 109.347 176.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.5 m -118.02 135.27 54.27 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.582 -0.735 . . . . 1.91 110.502 -173.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.7 p -116.76 114.77 46.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 116.178 -0.465 . . . . 1.88 110.143 177.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 57.6 m -96.3 119.63 35.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.178 -0.465 . . . . 1.95 110.212 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.6 t -119.54 137.8 52.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.922 -0.581 . . . . 1.55 110.267 -178.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 87.8 m95 -99.04 95.45 7.14 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.466 -0.939 . . . . 1.86 108.466 171.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.498 ' HB ' ' HB2' ' A' ' 53' ' ' PHE . 41.7 t -79.17 135.66 25.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 116.042 -0.526 . . . . 1.41 109.831 -176.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -100.82 -7.67 50.16 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.554 -0.831 . . . . 1.36 112.688 -177.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -148.55 105.12 3.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.085 0.469 . . . . 3.02 111.023 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.578 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 87.9 tttt -128.33 100.87 5.98 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.635 -0.876 . . . . 1.64 108.635 174.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 37' ' ' THR . 8.9 t -81.18 -13.32 58.71 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.797 0.666 . . . . 2.12 112.797 -168.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -143.11 136.3 28.13 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 122.234 -0.291 . . . . 1.54 111.122 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -148.14 170.2 18.35 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.005 -0.543 . . . . 1.29 110.309 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.437 ' HB ' ' HG2' ' A' ' 103' ' ' ARG . 14.4 m -103.01 120.47 40.69 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.241 -0.436 . . . . 1.53 110.37 179.266 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.43 ' OD1' ' HB3' ' A' ' 100' ' ' ARG . 12.6 t70 -67.88 159.58 30.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.959 -0.564 . . . . 1.85 109.592 176.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.3 tt -55.34 -27.49 20.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.962 0.41 . . . . 1.74 111.704 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -78.87 -11.65 60.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.761 0.315 . . . . 2.65 111.055 -178.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.5 25.44 10.9 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.905 -0.664 . . . . 1.25 112.372 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -102.42 144.05 31.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.7 0.286 . . . . 2.58 110.843 -179.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -87.8 115.38 25.21 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.069 -0.715 . . . . 2.19 109.069 174.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.9 m -123.05 149.3 26.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 120.951 0.405 . . . . 1.48 111.714 -175.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 26' ' ' THR . 22.4 m -82.77 109.45 16.93 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.333 -0.849 . . . . 1.5 109.743 177.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.578 ' HB ' ' O ' ' A' ' 25' ' ' LYS . 48.5 t -88.57 134.96 26.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.92 -0.582 . . . . 1.55 110.753 -175.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 41.7 mt -103.06 119.76 39.43 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.948 -0.569 . . . . 1.91 109.558 178.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.91 -22.03 63.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.264 0.554 . . . . 2.35 110.287 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.413 ' OE1' ' HB3' ' A' ' 50' ' ' ARG . 11.6 mm-40 -105.29 115.55 30.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.914 -1.039 . . . . 3.59 108.524 176.154 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.505 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 20.3 m -101.87 127.99 54.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 C-N-CA 120.638 -0.425 . . . . 2.85 110.494 -178.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -102.98 117.31 34.31 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.531 0.682 . . . . 3.25 110.592 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 52.4 mt -118.06 88.31 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.554 -0.748 . . . . 2.98 109.243 175.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.469 ' N ' HD21 ' A' ' 45' ' ' ASN . 0.9 OUTLIER 64.23 53.97 1.68 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.85 -0.614 . . . . 3.91 110.036 -178.713 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.2 m120 73.44 -12.12 0.85 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.055 -0.975 . . . . 5.31 112.115 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.5 m -84.49 113.89 21.54 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.079 -0.712 . . . . 3.53 109.079 175.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.505 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 41.9 t -112.84 130.06 67.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.106 -0.497 . . . . 2.78 110.715 -175.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.418 ' O ' HG23 ' A' ' 42' ' ' VAL . 49.8 p90 -139.04 154.22 48.19 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.0 -0.741 . . . . 4.85 109.0 172.416 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.413 ' HB3' ' OE1' ' A' ' 41' ' ' GLU . 35.7 ptt180 -97.1 153.58 17.87 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.209 0.528 . . . . 5.38 111.355 -173.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -117.68 158.25 25.03 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.562 -0.745 . . . . 5.18 109.908 176.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -117.51 138.3 51.98 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.313 -0.625 . . . . 2.96 109.313 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.498 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 28.5 m-85 -98.7 109.4 22.16 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.847 -0.427 . . . . 1.28 109.847 -179.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -84.24 99.08 10.33 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.09 -0.504 . . . . 4.41 109.955 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.468 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 23.8 mt-10 -112.58 112.09 23.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.093 -0.503 . . . . 1.49 110.642 -178.326 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.4 m -99.42 108.74 21.29 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.175 -0.676 . . . . 1.56 109.175 174.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -110.26 152.23 26.39 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.285 0.564 . . . . 2.93 111.505 -171.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 51.4 m -83.56 93.26 7.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.198 -0.91 . . . . 1.77 109.64 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -70.19 -22.6 62.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.004 0.43 . . . . 3.84 110.303 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -134.25 103.01 5.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.74 -0.664 . . . . 2.96 109.552 173.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.427 ' HA ' ' HB2' ' A' ' 80' ' ' CYS . 26.2 t -74.39 -26.72 60.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.04 0.448 . . . . 3.02 109.976 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -132.85 82.37 55.73 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.813 -0.63 . . . . 2.59 109.54 175.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -56.51 -33.7 93.18 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.476 2.117 . . . . 2.81 112.291 178.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.2 m -109.78 -177.3 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.383 0 C-N-CA 121.066 -0.253 . . . . 2.53 110.579 176.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -49.88 -41.81 46.45 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 113.089 0.774 . . . . 4.19 113.089 -173.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.2 m -150.05 53.13 0.91 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 121.966 -0.459 . . . . 4.07 111.903 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.82 -150.21 22.17 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 119.751 -1.214 . . . . 2.7 113.147 174.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 36.1 m -94.01 166.02 12.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.689 0.281 . . . . 1.76 110.617 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -69.78 122.2 18.74 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.407 -0.36 . . . . 4.4 110.745 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 103.26 -25.93 25.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.034 -0.603 . . . . 1.61 112.266 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 51.2 mm -74.19 135.76 26.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.854 0.359 . . . . 2.04 111.378 -176.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -86.24 105.63 16.75 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.456 -0.572 . . . . 3.32 109.456 176.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' A' ' 76' ' ' TRP . 30.2 m -60.81 -21.99 63.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.038 -0.528 . . . . 4.99 111.841 -176.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -76.17 -28.59 57.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.526 -0.307 . . . . 3.32 111.134 178.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.512 ' O ' ' HB3' ' A' ' 114' ' ' ARG . 19.4 m-70 -95.99 -26.47 15.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.468 -0.333 . . . . 4.16 110.946 179.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.47 ' O ' ' HA ' ' A' ' 73' ' ' SER . 93.5 m95 -143.31 128.27 18.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 3.71 110.874 -179.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -81.58 134.16 35.47 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 106.489 -1.671 . . . . 3.0 106.489 167.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.8 t -139.98 148.26 41.64 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.209 -0.596 . . . . 2.16 112.369 -165.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.54 ' O ' HG21 ' A' ' 111' ' ' VAL . 38.8 p90 -165.37 160.28 17.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.995 -1.002 . . . . 4.07 108.63 172.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.427 ' HB2' ' HA ' ' A' ' 61' ' ' SER . 33.5 m -99.81 133.19 44.52 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.456 -0.338 . . . . 1.67 110.798 -177.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.8 t -131.84 147.51 52.49 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.847 -0.615 . . . . 2.49 109.584 -178.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.3 p -84.5 144.46 28.7 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.12 0.486 . . . . 3.09 111.969 -176.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 17.2 m -97.79 128.16 44.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.829 -0.623 . . . . 3.17 109.574 175.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 18.1 p-80 -104.11 135.69 45.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.914 0.388 . . . . 4.4 111.086 -176.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.592 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 13.9 t -116.06 171.28 7.9 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.707 -0.849 . . . . 1.61 108.707 175.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -117.47 116.99 28.24 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.992 0.425 . . . . 2.52 110.942 -174.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.1 m -111.66 149.37 14.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.803 -0.635 . . . . 1.59 111.11 -177.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -75.61 114.9 14.72 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.769 -0.65 . . . . 4.22 110.445 179.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.89 146.68 50.55 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.175 -0.466 . . . . 1.57 110.446 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 28.9 tp -82.13 109.18 16.2 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.464 -0.939 . . . . 1.87 108.464 175.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 76.9 p -115.84 162.34 17.46 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 116.107 -0.497 . . . . 1.44 111.062 -175.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.9 t -136.32 137.71 40.93 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 109.617 -0.512 . . . . 1.63 109.617 175.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -103.69 -10.5 18.31 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.881 0.372 . . . . 2.47 110.332 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.501 ' HG3' ' H ' ' A' ' 95' ' ' LYS . 7.0 pt-20 -162.26 -58.81 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.934 -0.576 . . . . 3.09 110.905 176.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.501 ' H ' ' HG3' ' A' ' 94' ' ' GLU . 99.7 mttt -145.6 -54.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.771 0.319 . . . . 3.75 110.97 -177.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 30.1 tp60 -68.55 112.33 5.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.303 -0.408 . . . . 3.02 111.071 -178.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.88 137.49 43.74 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.947 -0.57 . . . . 1.8 110.2 177.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.76 151.25 37.66 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.25 -0.432 . . . . 1.79 110.542 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -81.87 121.6 26.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.169 -0.469 . . . . 2.88 111.058 -178.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.43 ' HB3' ' OD1' ' A' ' 30' ' ' ASP . 24.9 mmt180 -128.33 176.54 7.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.849 -0.614 . . . . 3.92 110.318 179.128 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -113.94 112.79 23.9 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.234 -0.654 . . . . 2.74 109.234 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 42.6 pt -113.2 146.82 17.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.134 0.492 . . . . 1.33 111.007 -174.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.592 ' HA ' ' O ' ' A' ' 85' ' ' THR . 12.5 ptm180 -78.45 131.23 36.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.505 -0.771 . . . . 4.27 111.16 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 44.5 pt -127.37 136.01 61.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.686 -0.688 . . . . 1.36 109.252 168.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.468 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 10.1 m-20 -75.67 105.78 6.89 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.278 -0.638 . . . . 1.69 109.278 178.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.0 t -103.84 -8.82 19.46 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.778 -0.646 . . . . 2.66 112.13 -167.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -156.92 164.39 38.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.585 0.231 . . . . 1.64 111.135 -178.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 46.9 t -126.95 120.52 29.31 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.448 -0.575 . . . . 1.59 109.448 178.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 25.2 m -117.62 160.57 17.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.832 0.349 . . . . 1.52 111.065 -175.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 41.7 t -106.42 122.2 45.8 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.972 -0.558 . . . . 1.45 110.542 -178.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.54 HG21 ' O ' ' A' ' 79' ' ' TYR . 14.7 m -94.69 148.39 5.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 C-N-CA 121.117 -0.233 . . . . 2.0 110.629 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.417 HD21 ' O ' ' A' ' 111' ' ' VAL . 67.8 mt -128.07 136.7 51.57 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.864 -0.421 . . . . 1.86 109.864 176.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 11.6 p -177.01 87.54 0.03 OUTLIER 'General case' 0 C--O 1.219 -0.5 0 N-CA-C 112.182 0.438 . . . . 3.01 112.182 175.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.512 ' HB3' ' O ' ' A' ' 75' ' ' HIS . 6.9 tpm_? -103.16 -42.08 5.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.009 -1.057 . . . . 7.46 109.924 162.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -104.43 10.61 35.2 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.511 -0.768 . . . . 4.91 110.469 -175.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -99.93 -21.36 15.71 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.759 -0.655 . . . . 4.73 110.167 178.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 15.9 p -72.73 167.25 21.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.818 -0.628 . . . . 6.02 110.88 -178.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.48 ' HA ' ' HE ' ' A' ' 118' ' ' ARG . 1.5 mmp_? . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.3 -0.857 . . . . 9.37 109.847 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 109.861 -0.422 . . . . 14.21 109.861 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -139.88 36.7 1.97 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.202 0.525 . . . . 12.86 110.325 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 10.8 p -87.6 86.08 7.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.161 -0.472 . . . . 11.6 110.413 178.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -135.8 74.57 57.81 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.091 -0.504 . . . . 10.95 110.32 -178.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -82.33 42.85 1.38 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.848 2.365 . . . . 8.15 112.117 -178.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . 0.431 HG11 ' O ' ' B' ' 6' ' ' VAL . 12.6 t 55.2 36.18 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 115.776 -0.647 . . . . 7.04 110.314 -178.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . 0.652 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 84.2 m-85 51.71 33.46 11.08 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.75 -0.659 . . . . 7.83 111.297 -177.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 59.7 m80 62.28 12.51 5.24 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.721 -0.672 . . . . 8.41 110.948 178.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 22.1 ptp 42.35 36.94 0.82 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.374 1.07 . . . . 5.62 111.568 -175.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.61 -28.69 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.605 -0.725 . . . . 4.39 112.902 -177.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.652 ' HG2' ' O ' ' B' ' 7' ' ' PHE . 13.0 pt-20 -96.41 38.86 1.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.558 0.694 . . . . 4.62 110.77 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . 0.469 ' HB2' ' HB ' ' A' ' 111' ' ' VAL . 23.6 m-85 -95.74 155.29 16.81 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.58 -0.736 . . . . 4.01 110.438 177.186 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 37.2 t -150.51 146.81 26.84 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.443 -0.576 . . . . 2.58 109.443 176.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.6 m -69.03 -14.89 19.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 115.95 -0.568 . . . . 1.81 110.502 178.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 81.8 m -113.18 136.77 52.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.266 -0.879 . . . . 1.75 110.116 177.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -65.77 113.82 4.59 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 109.314 -0.624 . . . . 2.87 109.314 176.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 19.2 m -117.54 135.95 53.59 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.543 -0.753 . . . . 1.91 110.449 -174.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 3.7 p -117.42 114.8 46.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.092 0.473 . . . . 1.88 110.132 176.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 61.4 m -96.03 119.62 34.85 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.147 -0.478 . . . . 1.95 110.228 179.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 59.9 t -119.37 137.84 52.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 116.041 -0.527 . . . . 1.55 110.314 -178.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 87.4 m95 -99.22 95.59 7.18 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.477 -0.935 . . . . 1.86 108.477 171.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . 0.482 ' HB ' ' HB2' ' B' ' 53' ' ' PHE . 41.8 t -79.09 135.56 25.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.855 -0.611 . . . . 1.41 109.827 -176.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -100.75 -7.61 50.45 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.544 -0.836 . . . . 1.36 112.597 -177.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -148.68 105.52 3.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.898 0.38 . . . . 3.01 111.096 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.558 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 88.1 tttt -128.72 100.87 5.88 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.641 -0.874 . . . . 1.64 108.641 174.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.419 ' O ' ' HA ' ' B' ' 37' ' ' THR . 9.3 t -81.3 -13.3 58.58 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.713 0.634 . . . . 2.11 112.713 -168.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.2 p -143.07 135.94 27.83 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.769 0.318 . . . . 1.53 111.157 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.83 169.76 19.1 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.974 -0.557 . . . . 1.29 110.344 177.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' THR . . . . . 0.427 ' HB ' ' HG2' ' B' ' 103' ' ' ARG . 12.9 m -102.46 120.23 40.16 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.152 -0.476 . . . . 1.52 110.496 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . 0.429 ' OD1' ' HB3' ' B' ' 100' ' ' ARG . 12.7 t70 -67.73 159.82 29.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.88 -0.6 . . . . 1.84 109.66 176.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 11.3 tt -55.26 -28.27 21.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.883 0.373 . . . . 1.74 111.513 -179.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -78.46 -11.61 59.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.322 -0.399 . . . . 2.65 110.996 -177.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.45 25.61 10.78 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.823 -0.703 . . . . 1.25 112.217 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -102.44 143.65 31.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.553 0.216 . . . . 2.58 110.853 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -87.25 115.53 24.71 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.035 -0.728 . . . . 2.19 109.035 174.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 18.4 m -123.12 149.19 26.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 120.916 0.388 . . . . 1.48 111.657 -175.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' B' ' 26' ' ' THR . 21.0 m -82.62 109.74 17.07 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.393 -0.822 . . . . 1.5 109.635 177.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.558 ' HB ' ' O ' ' B' ' 25' ' ' LYS . 48.6 t -88.77 135.04 26.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.939 -0.573 . . . . 1.55 110.734 -175.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 42.5 mt -103.27 119.68 39.33 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.525 -0.546 . . . . 1.91 109.525 178.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.0 -21.85 63.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.225 0.536 . . . . 2.34 110.218 179.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.409 ' OE1' ' HB3' ' B' ' 50' ' ' ARG . 10.9 mm-40 -105.14 115.44 30.27 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.935 -1.029 . . . . 3.59 108.535 176.035 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 20.1 m -102.01 128.08 54.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 120.529 -0.469 . . . . 2.85 110.453 -178.242 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -102.92 117.42 34.57 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.424 0.63 . . . . 3.25 110.612 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 52.2 mt -118.11 88.68 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.638 -0.71 . . . . 2.98 109.159 175.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . 0.482 ' N ' HD21 ' B' ' 45' ' ' ASN . 0.9 OUTLIER 63.96 54.03 1.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.697 -0.683 . . . . 3.91 110.033 -178.905 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 15.4 m120 73.48 -12.29 0.84 Allowed 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 114.993 -1.003 . . . . 5.31 112.254 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 30.2 m -84.25 113.8 21.37 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.028 -0.73 . . . . 3.54 109.028 175.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.501 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 41.7 t -112.96 129.38 68.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.105 -0.498 . . . . 2.78 110.857 -175.521 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . 0.407 ' O ' HG23 ' B' ' 42' ' ' VAL . 49.8 p90 -138.54 154.36 48.75 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.019 -0.734 . . . . 4.84 109.019 172.494 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.409 ' HB3' ' OE1' ' B' ' 41' ' ' GLU . 35.2 ptt180 -97.45 153.33 18.19 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.107 0.48 . . . . 5.38 111.319 -173.453 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -117.32 158.11 24.96 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.644 -0.707 . . . . 5.18 109.96 176.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -117.48 138.4 51.89 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.28 -0.637 . . . . 2.96 109.28 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . 0.482 ' HB2' ' HB ' ' B' ' 22' ' ' VAL . 28.4 m-85 -98.83 109.48 22.23 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.883 -0.414 . . . . 1.28 109.883 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -84.2 99.13 10.33 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.971 -0.559 . . . . 4.41 109.962 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 23.8 mt-10 -112.69 112.29 23.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.134 -0.485 . . . . 1.49 110.608 -178.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 48.5 m -99.61 108.66 21.11 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.095 -0.706 . . . . 1.57 109.095 175.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -110.2 152.35 26.19 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.031 -0.531 . . . . 2.93 111.462 -171.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 45.7 m -83.55 93.11 7.77 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.283 -0.872 . . . . 1.77 109.578 178.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -69.87 -23.28 63.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.175 0.512 . . . . 3.85 110.28 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -133.77 102.98 5.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.761 -0.654 . . . . 2.96 109.577 173.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' SER . . . . . 0.442 ' HA ' ' HB2' ' B' ' 80' ' ' CYS . 26.1 t -74.54 -26.53 60.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.214 0.531 . . . . 3.01 110.06 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -132.92 82.32 55.53 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.722 -0.672 . . . . 2.59 109.709 175.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -56.44 -33.68 92.74 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.507 2.138 . . . . 2.81 112.315 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 35.4 m -109.86 -177.9 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.705 -0.225 . . . . 2.53 110.554 176.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -49.44 -41.73 40.83 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.244 0.831 . . . . 4.2 113.244 -173.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 48.8 m -149.99 53.1 0.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 O-C-N 122.061 -0.399 . . . . 4.07 111.877 -177.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.93 -150.04 21.95 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 119.852 -1.166 . . . . 2.7 113.147 174.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 35.6 m -93.99 166.15 12.3 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.73 0.312 . . . . 1.76 110.613 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -69.83 121.96 18.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.349 -0.387 . . . . 4.4 110.624 -177.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 103.62 -26.2 24.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.967 -0.635 . . . . 1.61 112.408 178.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 51.4 mm -74.37 135.35 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.861 0.362 . . . . 2.04 111.429 -176.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -85.77 105.59 16.41 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.425 -0.583 . . . . 3.32 109.425 176.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' SER . . . . . 0.457 ' HA ' ' O ' ' B' ' 76' ' ' TRP . 35.2 m -60.26 -22.34 62.96 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.19 -0.459 . . . . 4.99 111.835 -176.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -76.03 -28.65 57.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.679 0.276 . . . . 3.33 111.014 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . 0.532 ' O ' ' HB3' ' B' ' 114' ' ' ARG . 20.1 m-70 -95.81 -27.01 15.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.845 0.355 . . . . 4.16 110.869 179.481 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' TRP . . . . . 0.457 ' O ' ' HA ' ' B' ' 73' ' ' SER . 93.8 m95 -142.99 128.08 18.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 3.7 110.908 -178.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -81.59 134.25 35.47 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 106.533 -1.655 . . . . 3.0 106.533 167.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 47.3 t -140.15 148.03 41.04 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.432 0.634 . . . . 2.16 112.263 -164.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . 0.535 ' O ' HG21 ' B' ' 111' ' ' VAL . 38.4 p90 -165.16 160.32 18.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.805 -1.089 . . . . 4.07 108.727 172.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . 0.442 ' HB2' ' HA ' ' B' ' 61' ' ' SER . 33.5 m -99.84 133.48 44.14 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.495 -0.321 . . . . 1.67 110.804 -177.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 13.6 t -132.24 147.61 52.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.818 -0.628 . . . . 2.49 109.673 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.5 p -84.89 144.05 28.63 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.121 0.486 . . . . 3.09 111.945 -176.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 15.9 m -97.34 128.19 43.95 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.823 -0.626 . . . . 3.17 109.633 175.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 17.7 p-80 -104.25 135.69 45.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.008 0.432 . . . . 4.39 111.009 -176.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' THR . . . . . 0.593 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 14.0 t -116.06 171.4 7.82 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.646 -0.872 . . . . 1.61 108.646 175.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -117.6 116.77 27.75 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.027 0.441 . . . . 2.52 110.853 -174.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 23.1 m -111.58 149.41 14.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.857 -0.611 . . . . 1.59 111.048 -177.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -75.7 114.96 14.88 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.89 -0.595 . . . . 4.22 110.41 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.81 146.87 50.46 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.18 -0.463 . . . . 1.57 110.379 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 29.4 tp -82.44 109.31 16.56 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 108.431 -0.952 . . . . 1.87 108.431 175.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 77.0 p -115.73 162.3 17.47 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 116.222 -0.444 . . . . 1.44 111.136 -175.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 7.9 t -136.13 137.77 41.33 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 109.706 -0.479 . . . . 1.63 109.706 175.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -103.85 -10.27 18.35 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.309 -0.405 . . . . 2.46 110.226 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . 0.504 ' HG3' ' H ' ' B' ' 95' ' ' LYS . 6.8 pt-20 -162.78 -58.27 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.024 -0.534 . . . . 3.09 111.051 177.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . 0.504 ' H ' ' HG3' ' B' ' 94' ' ' GLU . 99.6 mttt -145.93 -54.38 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.635 0.255 . . . . 3.76 110.967 -177.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -68.51 112.44 5.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 3.02 111.112 -178.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.22 137.19 42.9 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.876 -0.602 . . . . 1.8 110.11 177.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.49 150.91 37.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.282 -0.417 . . . . 1.79 110.348 -178.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -81.62 121.77 26.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.231 -0.441 . . . . 2.87 111.166 -178.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' ARG . . . . . 0.429 ' HB3' ' OD1' ' B' ' 30' ' ' ASP . 24.7 mmt180 -128.45 176.52 7.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.906 -0.588 . . . . 3.93 110.238 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -113.95 112.89 24.04 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.213 -0.662 . . . . 2.75 109.213 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 42.5 pt -113.16 146.88 17.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.106 0.479 . . . . 1.33 111.062 -174.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.593 ' HA ' ' O ' ' B' ' 85' ' ' THR . 12.6 ptm180 -78.29 131.55 37.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.45 -0.795 . . . . 4.28 111.152 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 44.5 pt -127.73 135.66 62.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.475 -0.784 . . . . 1.36 109.277 168.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . 0.46 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 10.8 m-20 -75.27 105.85 6.5 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.255 -0.646 . . . . 1.69 109.255 178.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 6.0 t -103.83 -8.96 19.37 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.783 -0.644 . . . . 2.65 112.138 -167.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -156.79 164.41 38.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.646 0.26 . . . . 1.64 111.116 -178.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 46.7 t -126.96 120.58 29.44 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.459 -0.571 . . . . 1.6 109.459 178.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 24.7 m -117.61 160.73 16.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.925 0.393 . . . . 1.53 111.07 -175.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 41.9 t -106.53 122.23 45.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.933 -0.576 . . . . 1.45 110.566 -178.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.535 HG21 ' O ' ' B' ' 79' ' ' TYR . 14.3 m -94.73 148.46 4.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 121.144 -0.222 . . . . 2.0 110.661 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . 0.431 HD21 ' O ' ' B' ' 111' ' ' VAL . 67.4 mt -128.19 136.71 51.47 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.811 -0.44 . . . . 1.86 109.811 176.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 11.2 p -177.19 87.5 0.03 OUTLIER 'General case' 0 C--O 1.218 -0.579 0 N-CA-C 112.121 0.415 . . . . 3.01 112.121 175.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' ARG . . . . . 0.532 ' HB3' ' O ' ' B' ' 75' ' ' HIS . 7.0 tpm_? -103.12 -42.06 5.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 121.079 -1.013 . . . . 7.45 109.966 162.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -104.43 10.81 35.13 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.413 -0.812 . . . . 4.91 110.452 -175.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.17 -21.55 15.49 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.696 -0.684 . . . . 4.74 110.407 178.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 14.9 p -72.61 167.34 20.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.616 -0.72 . . . . 6.02 110.833 -178.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' ARG . . . . . 0.48 ' HE ' ' HA ' ' B' ' 118' ' ' ARG . 1.5 mmp_? . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.319 -0.848 . . . . 9.38 109.811 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.476 0.874 0 CA-C-O 121.195 0.521 . . . . 14.21 110.278 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m -142.14 36.85 1.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.269 0.557 . . . . 12.85 110.093 177.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.0 p -76.62 121.9 23.87 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.501 -0.772 . . . . 11.6 111.259 -177.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -134.8 85.24 36.24 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.917 -0.583 . . . . 10.94 110.009 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -78.35 46.76 2.2 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.669 2.246 . . . . 8.15 112.259 -177.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.2 t 54.03 53.43 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.664 -0.698 . . . . 7.04 109.585 -176.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.2 p90 41.64 45.55 2.95 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.295 -0.866 . . . . 7.84 112.143 -174.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 43.3 m80 61.86 23.42 13.77 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.174 -0.921 . . . . 8.41 111.805 178.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.9 ptp 40.56 45.9 2.05 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.312 1.045 . . . . 5.62 112.207 -179.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -123.79 178.57 16.39 Favored Glycine 0 N--CA 1.444 -0.802 0 CA-C-N 115.059 -0.973 . . . . 4.39 110.866 177.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 63.87 4.8 2.06 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.028 0.381 . . . . 4.63 112.028 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.4 ' HB2' ' CB ' ' B' ' 111' ' ' VAL . 22.2 m-85 -63.23 130.09 43.05 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.181 0.515 . . . . 4.02 110.518 177.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.2 m -126.48 118.94 25.96 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.648 -0.705 . . . . 2.58 109.667 178.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.4 m -57.38 -26.58 26.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-O 121.379 0.609 . . . . 1.8 110.226 176.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.8 t -109.63 106.67 16.44 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.367 -0.975 . . . . 1.75 108.367 169.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -55.51 115.68 2.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.206 0.527 . . . . 2.87 111.247 -173.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.419 ' HB3' ' CG2' ' A' ' 56' ' ' THR . 50.0 m -125.47 143.65 50.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.6 -0.727 . . . . 1.91 109.927 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.474 ' HB ' ' HD2' ' A' ' 59' ' ' ARG . 7.3 p -115.98 119.94 63.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.007 0.432 . . . . 1.88 110.966 -178.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.0 p -92.66 115.54 28.2 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.197 -0.456 . . . . 1.95 110.611 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.1 t -119.89 140.68 43.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.431 -0.349 . . . . 1.55 110.912 -176.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -93.39 96.59 10.03 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.863 -0.791 . . . . 1.86 108.863 173.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.9 t -94.82 120.53 44.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.946 -0.57 . . . . 1.41 111.425 -173.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -130.26 20.35 5.01 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 111.002 -0.839 . . . . 1.36 111.002 174.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -113.41 -20.59 11.26 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.913 0.338 . . . . 3.02 111.913 -176.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -71.59 148.29 46.76 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.517 -0.473 . . . . 1.64 110.03 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.426 ' O ' ' HA ' ' A' ' 37' ' ' THR . 14.9 t -117.11 3.88 12.71 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.47 -0.332 . . . . 2.12 111.637 -173.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -144.12 149.27 36.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.693 0.282 . . . . 1.54 111.429 179.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -155.73 167.69 29.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.82 -0.627 . . . . 1.29 110.366 174.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 34' ' ' LYS . 11.0 m -96.92 121.2 38.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.942 -0.572 . . . . 1.53 110.777 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -67.07 164.99 16.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.332 -0.849 . . . . 1.85 110.277 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.1 tt -61.42 -28.74 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.031 0.443 . . . . 1.74 110.838 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -79.45 -9.14 59.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 2.65 110.959 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.34 12.74 47.51 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.79 -0.719 . . . . 1.25 112.075 179.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 29' ' ' THR . 35.1 mmtp -84.87 159.94 20.26 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.832 0.349 . . . . 2.58 110.551 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -106.79 115.29 29.94 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 108.956 -0.757 . . . . 2.19 108.956 173.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.0 m -120.23 152.43 23.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-O 121.023 0.44 . . . . 1.48 111.466 -174.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 26' ' ' THR . 41.2 m -82.14 109.08 16.12 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.199 -0.909 . . . . 1.5 109.839 178.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.496 ' HA ' HG22 ' A' ' 91' ' ' THR . 65.0 t -86.6 125.93 40.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.818 -0.628 . . . . 1.55 111.042 -174.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 42.1 mt -99.32 114.57 27.51 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.972 -0.751 . . . . 1.91 108.972 176.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.432 ' O ' ' HA ' ' A' ' 50' ' ' ARG . . . -69.31 -19.2 63.88 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.359 0.6 . . . . 2.35 110.154 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.503 ' HG2' ' HG2' ' A' ' 50' ' ' ARG . 37.4 mt-10 -105.82 115.43 30.22 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.136 -0.938 . . . . 3.59 109.435 177.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.548 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 20.2 m -95.8 137.26 24.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.37 -0.377 . . . . 2.85 110.024 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.412 ' H ' HD23 ' A' ' 90' ' ' LEU . 25.5 m-80 -106.58 100.02 9.56 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.163 -0.471 . . . . 3.25 110.236 -176.071 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.6 mt -112.34 101.33 12.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.986 -0.376 . . . . 2.98 109.986 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.9 m120 58.29 48.25 12.84 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.013 -0.54 . . . . 3.91 110.521 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.4 m120 66.92 12.99 9.27 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.678 -0.692 . . . . 5.31 111.451 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.3 t -110.66 115.77 30.16 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 109.051 -0.722 . . . . 3.53 109.051 176.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.548 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 63.9 t -96.32 130.12 45.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.948 -0.569 . . . . 2.78 111.278 -174.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -127.13 141.19 51.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.72 -0.673 . . . . 4.85 109.805 175.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.503 ' HG2' ' HG2' ' A' ' 41' ' ' GLU . 99.3 mtt180 -101.82 129.02 47.94 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.01 0.433 . . . . 5.38 110.887 -179.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -117.19 100.59 7.81 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.073 -0.512 . . . . 5.18 110.812 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -73.68 129.36 37.79 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.857 -0.794 . . . . 2.96 108.857 177.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -87.92 129.49 35.21 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.426 -0.352 . . . . 1.28 110.856 -174.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.417 ' CB ' ' HG1' ' B' ' 85' ' ' THR . 78.0 t80 -83.4 94.71 8.03 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.944 -0.761 . . . . 4.41 108.944 178.395 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -114.42 121.57 43.99 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.617 -0.72 . . . . 1.49 110.037 -175.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.444 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 32.0 m -98.29 122.16 41.11 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.98 -0.555 . . . . 1.56 110.286 179.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -103.13 151.42 22.6 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.035 -0.53 . . . . 2.93 110.161 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.8 t -86.77 106.07 17.42 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.906 -0.588 . . . . 1.77 110.026 -177.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.474 ' HD2' ' HB ' ' A' ' 18' ' ' VAL . 79.6 mtp180 -70.5 -49.54 47.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.939 -0.573 . . . . 3.84 110.517 -178.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -139.71 109.41 6.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.833 -0.621 . . . . 2.96 110.44 -177.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.432 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 49.9 m -83.76 -20.32 33.54 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.984 0.421 . . . . 3.02 111.23 -178.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -144.4 70.36 15.81 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.293 -0.412 . . . . 2.59 110.08 176.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -51.68 -35.41 57.54 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 122.761 2.307 . . . . 2.81 112.236 177.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.432 HG11 ' HG2' ' A' ' 69' ' ' ARG . 29.3 m -123.92 177.48 4.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 110.199 -0.297 . . . . 2.53 110.199 174.647 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.91 -47.89 82.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.593 0.235 . . . . 4.19 111.424 -177.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.2 p -71.22 -12.39 61.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.873 0.368 . . . . 4.07 111.446 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.39 -97.33 0.56 Allowed Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 121.134 -0.555 . . . . 2.7 111.802 -178.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 74.3 m -99.23 135.58 40.43 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.366 -0.235 . . . . 1.76 110.366 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.432 ' HG2' HG11 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -68.75 105.44 2.31 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-N 116.309 -0.405 . . . . 4.4 110.15 -175.906 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 137.47 -32.41 2.4 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.834 -0.698 . . . . 1.61 111.558 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.3 mm -63.38 140.21 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 122.586 0.354 . . . . 2.04 110.961 -179.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -68.71 107.49 3.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.875 -0.602 . . . . 3.32 109.901 178.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.1 p -75.83 -11.61 60.01 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.591 0.589 . . . . 4.99 112.591 -172.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -89.91 -35.5 15.56 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.007 0.432 . . . . 3.32 110.874 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -97.97 -30.62 12.61 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.172 -0.467 . . . . 4.16 111.199 -178.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.523 ' CE3' ' HB3' ' A' ' 112' ' ' LEU . 99.6 m95 -127.83 157.48 40.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.643 0.735 . . . . 3.71 111.799 -174.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.4 ' HB2' ' HG2' ' A' ' 115' ' ' LYS . 4.0 t-20 -121.29 135.11 55.15 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.134 -1.061 . . . . 3.0 108.134 169.416 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.487 ' HB2' ' SG ' ' A' ' 110' ' ' CYS . 12.0 p -121.04 137.23 54.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.034 0.445 . . . . 2.16 111.617 -176.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.489 ' O ' HG22 ' A' ' 111' ' ' VAL . 49.7 p90 -153.69 160.63 42.41 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.945 -0.761 . . . . 4.07 108.945 173.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.778 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 73.1 m -102.35 144.03 31.36 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 112.71 0.633 . . . . 1.67 112.71 -170.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.472 ' O ' HG21 ' A' ' 109' ' ' VAL . 5.2 t -145.3 141.22 28.36 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.989 -1.005 . . . . 2.49 108.807 172.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.425 ' HA ' ' HA ' ' A' ' 108' ' ' CYS . 19.8 p -85.97 133.93 33.9 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.127 0.489 . . . . 3.09 111.695 -174.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.417 HG22 ' OG1' ' A' ' 106' ' ' THR . 10.6 t -94.45 147.27 23.41 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.364 -0.976 . . . . 3.17 108.364 173.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -132.66 151.18 52.03 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.098 0.475 . . . . 4.4 112.171 -168.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.504 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 13.4 t -124.67 175.97 6.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.428 -0.805 . . . . 1.61 109.118 174.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -125.89 118.08 24.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.796 0.332 . . . . 2.52 110.11 -176.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.0 m -116.59 140.77 37.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.178 -0.465 . . . . 1.59 110.391 -178.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 18.8 pttm -82.76 123.55 29.42 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 121.67 0.748 . . . . 4.22 110.719 -179.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.8 156.53 43.44 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.936 -1.029 . . . . 1.57 109.502 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.412 HD23 ' H ' ' A' ' 43' ' ' ASN . 24.1 tp -75.46 104.69 6.13 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.507 -0.923 . . . . 1.87 108.507 175.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.496 HG22 ' HA ' ' A' ' 38' ' ' VAL . 32.7 p -125.88 158.58 34.74 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.226 -0.443 . . . . 1.44 110.122 -175.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.0 t -128.38 135.95 50.25 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.043 0.449 . . . . 1.63 110.38 176.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -95.09 -7.01 40.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.995 -0.548 . . . . 2.47 110.524 178.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -160.49 -82.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.375 -0.375 . . . . 3.09 110.3 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -138.81 7.63 2.51 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 111.77 0.285 . . . . 3.75 111.77 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -118.14 124.74 48.73 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.717 0.294 . . . . 3.02 110.314 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -88.26 130.99 34.95 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.12 -0.491 . . . . 1.8 110.798 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.78 153.5 38.24 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.252 -0.431 . . . . 1.79 110.487 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -77.2 101.86 6.38 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.237 -0.438 . . . . 2.88 110.46 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.443 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 38.2 mmt180 -111.87 154.35 25.29 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.497 -0.557 . . . . 3.92 109.497 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -90.67 117.24 29.17 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.872 0.368 . . . . 2.74 110.271 179.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 35.8 pt -112.74 149.82 15.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.086 -0.507 . . . . 1.33 110.069 -178.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.504 ' HA ' ' O ' ' A' ' 85' ' ' THR . 17.6 ptp180 -88.36 132.05 34.59 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.725 -0.67 . . . . 4.27 111.231 -174.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 30.5 pt -129.78 140.79 48.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.533 -0.758 . . . . 1.36 109.578 173.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -80.1 127.41 32.28 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.844 -0.428 . . . . 1.69 109.844 -178.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.417 ' OG1' HG22 ' A' ' 83' ' ' THR . 7.5 p -91.23 -29.43 17.2 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.355 -0.384 . . . . 2.66 111.388 -176.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -168.32 153.11 6.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.415 -0.357 . . . . 1.64 111.018 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.778 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 14.6 t -100.14 107.09 18.89 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.294 -1.002 . . . . 1.59 108.294 173.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.509 ' O ' ' HA ' ' A' ' 80' ' ' CYS . 21.4 m -89.6 142.72 12.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.149 0.499 . . . . 1.52 111.304 -171.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.487 ' SG ' ' HB2' ' A' ' 78' ' ' SER . 37.4 t -92.03 99.83 12.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.074 -0.966 . . . . 1.45 108.66 177.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 79' ' ' TYR . 17.5 m -85.3 152.61 3.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.33 -0.395 . . . . 2.0 110.688 -175.347 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.523 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . 85.7 mt -110.77 137.69 48.11 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.112 0.482 . . . . 1.86 110.179 178.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.4 m -126.61 155.71 42.08 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.737 -0.665 . . . . 3.01 109.407 176.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -77.81 9.61 3.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.344 -0.389 . . . . 7.46 111.68 -176.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.4 ' HG2' ' HB2' ' A' ' 77' ' ' ASN . 56.1 mtpt 71.58 32.37 2.04 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.499 0.666 . . . . 4.91 109.905 -178.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -155.8 145.58 21.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.886 -1.052 . . . . 4.73 109.428 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 60.3 p -104.29 174.16 5.99 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.698 -0.228 . . . . 6.02 110.661 -179.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 117.958 -1.02 . . . . 9.37 111.328 -179.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 23.9 t . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 121.102 0.477 . . . . 14.21 110.406 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -142.62 36.21 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.363 0.601 . . . . 12.86 110.091 178.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 6.5 p -76.18 121.09 22.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.561 -0.745 . . . . 11.6 111.475 -177.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 26.3 p-80 -134.06 85.25 40.45 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.83 -0.623 . . . . 10.95 109.971 177.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -78.13 46.65 2.14 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.683 2.255 . . . . 8.15 112.167 -177.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 11.8 t 54.14 53.11 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.813 -0.63 . . . . 7.04 109.569 -177.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 16.5 p90 41.85 44.99 3.05 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.338 -0.846 . . . . 7.83 112.197 -174.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 43.5 m80 62.55 23.23 13.8 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.212 -0.904 . . . . 8.41 111.793 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 12.2 ptp 40.71 45.89 2.15 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.333 1.053 . . . . 5.62 112.206 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -123.79 178.5 16.41 Favored Glycine 0 N--CA 1.444 -0.814 0 CA-C-N 115.127 -0.942 . . . . 4.39 110.911 177.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 63.91 4.97 2.14 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 112.119 0.414 . . . . 4.62 112.119 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -63.65 129.85 41.86 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 121.174 0.512 . . . . 4.01 110.456 177.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 20.1 m -126.32 118.91 26.05 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.512 -0.767 . . . . 2.58 109.692 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 27.4 m -57.46 -26.53 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-O 121.453 0.644 . . . . 1.81 110.329 176.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 47.5 t -109.44 106.65 16.5 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.949 -1.023 . . . . 1.75 108.372 169.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -55.57 115.69 2.47 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.155 0.502 . . . . 2.87 111.195 -173.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.411 ' HB3' ' CG2' ' B' ' 56' ' ' THR . 50.2 m -125.45 143.25 51.08 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.604 -0.725 . . . . 1.91 110.014 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.487 ' HB ' ' HD2' ' B' ' 59' ' ' ARG . 7.3 p -115.53 120.14 63.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.915 0.388 . . . . 1.88 110.891 -178.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.6 p -92.69 115.53 28.19 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.306 -0.406 . . . . 1.95 110.637 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 40.9 t -119.88 140.62 43.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.496 -0.32 . . . . 1.55 110.86 -176.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -93.21 96.11 9.8 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.952 -0.759 . . . . 1.86 108.952 173.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 45.5 t -94.67 120.41 44.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.08 -0.509 . . . . 1.41 111.347 -173.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -130.1 20.26 5.07 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 110.941 -0.864 . . . . 1.36 110.941 174.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -113.31 -20.72 11.27 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.775 0.287 . . . . 3.01 111.775 -176.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 21.8 pttm -71.7 148.0 46.86 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.499 -0.481 . . . . 1.64 110.148 -178.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' THR . . . . . 0.431 ' O ' ' HA ' ' B' ' 37' ' ' THR . 14.8 t -116.56 4.08 13.2 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.391 -0.368 . . . . 2.11 111.783 -173.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.47 149.32 35.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.751 0.31 . . . . 1.53 111.361 179.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -155.87 167.69 29.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.962 -0.563 . . . . 1.29 110.299 175.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' B' ' 34' ' ' LYS . 11.8 m -96.73 121.28 38.41 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.006 -0.543 . . . . 1.52 110.774 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.9 164.95 16.36 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.309 -0.859 . . . . 1.84 110.278 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 14.1 tt -61.41 -28.83 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.93 0.395 . . . . 1.74 110.772 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -79.44 -9.01 59.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 2.65 110.867 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.96 11.32 50.11 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.684 -0.77 . . . . 1.25 112.237 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.429 ' O ' ' HA ' ' B' ' 29' ' ' THR . 35.1 mmtp -83.72 159.79 21.42 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.788 0.327 . . . . 2.58 110.499 179.172 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -106.6 115.54 30.37 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.828 -0.804 . . . . 2.19 108.828 173.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 21.6 m -120.49 152.35 23.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.071 0.462 . . . . 1.48 111.542 -175.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' B' ' 26' ' ' THR . 39.6 m -81.83 109.16 15.96 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.22 -0.9 . . . . 1.5 109.836 178.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.508 ' HA ' HG22 ' B' ' 91' ' ' THR . 66.3 t -86.74 125.68 40.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.84 -0.618 . . . . 1.55 111.094 -174.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 41.9 mt -99.3 114.14 26.83 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.869 -0.789 . . . . 1.91 108.869 176.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.425 ' O ' ' HA ' ' B' ' 50' ' ' ARG . . . -68.86 -18.99 64.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.358 0.599 . . . . 2.34 110.341 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.501 ' HG2' ' HG2' ' B' ' 50' ' ' ARG . 37.1 mt-10 -105.78 115.51 30.35 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.16 -0.927 . . . . 3.59 109.389 177.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.551 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 19.9 m -95.77 137.26 24.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 110.039 -0.356 . . . . 2.85 110.039 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . 0.401 ' H ' HD23 ' B' ' 90' ' ' LEU . 25.5 m-80 -106.57 99.87 9.42 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.15 -0.477 . . . . 3.25 110.22 -176.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 68.3 mt -112.29 101.11 12.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 110.09 -0.337 . . . . 2.98 110.09 178.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 11.8 m120 58.33 48.19 12.84 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.979 -0.555 . . . . 3.91 110.535 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 18.8 m120 66.93 13.15 9.34 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.641 -0.709 . . . . 5.31 111.463 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 14.2 t -110.6 115.48 29.67 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.847 -0.797 . . . . 3.54 108.847 176.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.551 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 64.1 t -96.29 129.83 45.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.877 -0.601 . . . . 2.78 111.423 -174.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -126.72 141.13 51.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.876 -0.602 . . . . 4.84 109.902 175.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.501 ' HG2' ' HG2' ' B' ' 41' ' ' GLU . 99.3 mtt180 -101.83 129.23 47.99 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.982 0.42 . . . . 5.38 110.739 -179.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -117.07 100.76 7.95 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.008 -0.542 . . . . 5.18 110.738 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -73.81 129.37 37.77 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.874 -0.787 . . . . 2.96 108.874 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -88.05 129.55 35.25 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.475 -0.329 . . . . 1.28 110.835 -174.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . 0.405 ' CB ' ' HG1' ' A' ' 85' ' ' THR . 78.1 t80 -83.47 94.83 8.1 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.955 -0.758 . . . . 4.41 108.955 178.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -114.55 121.46 43.54 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.517 -0.765 . . . . 1.49 109.927 -175.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 31.4 m -98.27 122.3 41.26 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.964 -0.562 . . . . 1.57 110.279 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -103.16 151.46 22.57 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.909 -0.587 . . . . 2.93 110.217 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 4.9 t -86.74 105.79 17.22 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.824 -0.625 . . . . 1.77 110.107 -177.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . 0.487 ' HD2' ' HB ' ' B' ' 18' ' ' VAL . 79.9 mtp180 -70.4 -49.21 51.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.917 -0.583 . . . . 3.85 110.666 -177.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -139.98 109.65 6.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.873 -0.603 . . . . 2.96 110.452 -177.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' SER . . . . . 0.434 ' HA ' ' SG ' ' B' ' 80' ' ' CYS . 51.0 m -84.19 -19.89 33.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.364 -0.38 . . . . 3.01 111.102 -178.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -144.78 70.19 15.03 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.189 -0.46 . . . . 2.59 110.081 177.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo -51.48 -35.8 56.79 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 122.797 2.331 . . . . 2.81 112.158 177.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' VAL . . . . . 0.429 HG11 ' HG2' ' B' ' 69' ' ' ARG . 28.9 m -123.65 177.47 4.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.39 -0.368 . . . . 2.53 110.262 174.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -61.79 -48.38 80.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.815 0.34 . . . . 4.2 111.443 -177.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 11.3 p -71.28 -11.72 61.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.507 -0.315 . . . . 4.07 111.551 -177.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.16 -97.52 0.58 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 121.032 -0.604 . . . . 2.7 111.765 -178.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 74.3 m -98.99 135.32 40.56 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.595 0.236 . . . . 1.76 110.484 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . 0.429 ' HG2' HG11 ' B' ' 64' ' ' VAL . 0.0 OUTLIER -68.29 105.47 2.14 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.32 -0.4 . . . . 4.4 110.213 -175.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 137.47 -32.49 2.39 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.75 -0.738 . . . . 1.61 111.507 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 49.2 mm -63.18 140.07 20.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 O-C-N 123.863 0.39 . . . . 2.04 111.057 -179.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -68.57 107.55 2.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.936 -0.575 . . . . 3.32 109.908 178.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 5.8 p -75.58 -12.11 60.15 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.651 0.611 . . . . 4.99 112.651 -172.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -89.84 -35.45 15.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.811 0.339 . . . . 3.33 110.831 -177.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -97.77 -30.8 12.58 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.235 -0.438 . . . . 4.16 111.23 -178.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' TRP . . . . . 0.521 ' CE3' ' HB3' ' B' ' 112' ' ' LEU . 99.6 m95 -127.69 157.66 39.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.622 0.725 . . . . 3.7 111.876 -174.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -121.28 135.15 55.15 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.814 -1.085 . . . . 3.0 108.205 169.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.487 ' HB2' ' SG ' ' B' ' 110' ' ' CYS . 12.0 p -121.06 137.57 54.59 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.054 0.454 . . . . 2.16 111.727 -176.228 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . 0.482 ' O ' HG22 ' B' ' 111' ' ' VAL . 49.3 p90 -154.03 160.64 42.1 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.934 -0.765 . . . . 4.07 108.934 173.384 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . 0.772 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 73.3 m -102.37 143.84 31.62 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 112.749 0.648 . . . . 1.67 112.749 -170.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.458 ' O ' HG21 ' B' ' 109' ' ' VAL . 5.0 t -145.12 141.14 28.52 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.988 -1.005 . . . . 2.49 108.747 172.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' B' ' 108' ' ' CYS . 19.8 p -85.79 133.86 33.96 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.927 0.394 . . . . 3.09 111.787 -175.173 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' THR . . . . . 0.416 HG22 ' OG1' ' B' ' 106' ' ' THR . 9.9 t -94.2 147.09 23.52 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.338 -0.986 . . . . 3.17 108.338 173.245 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -132.25 151.58 51.75 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.056 0.455 . . . . 4.39 112.118 -168.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' THR . . . . . 0.518 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 13.6 t -125.05 176.03 6.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.335 -0.848 . . . . 1.61 109.085 174.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -125.94 118.15 24.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.852 0.358 . . . . 2.52 110.176 -177.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 19.1 m -116.63 140.7 37.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.191 -0.459 . . . . 1.59 110.411 -178.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . 0.445 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 18.9 pttm -82.72 123.59 29.44 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.615 0.721 . . . . 4.22 110.675 -179.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.74 156.52 43.4 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.003 -0.999 . . . . 1.57 109.462 177.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . 0.401 HD23 ' H ' ' B' ' 43' ' ' ASN . 24.0 tp -75.43 104.7 6.1 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.565 -0.902 . . . . 1.87 108.565 174.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' THR . . . . . 0.508 HG22 ' HA ' ' B' ' 38' ' ' VAL . 33.4 p -125.97 158.78 34.38 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.229 -0.441 . . . . 1.44 110.099 -175.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 11.5 t -128.75 135.76 49.64 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.018 0.437 . . . . 1.63 110.228 176.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -94.76 -7.54 40.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.984 -0.553 . . . . 2.46 110.561 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -160.16 -81.45 0.05 OUTLIER 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.289 -0.414 . . . . 3.09 110.468 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -139.35 7.4 2.38 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 111.719 0.266 . . . . 3.76 111.719 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -117.89 125.24 50.11 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.764 0.316 . . . . 3.02 110.256 178.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -88.64 130.56 35.26 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.323 -0.399 . . . . 1.8 110.764 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.46 153.33 38.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.183 -0.462 . . . . 1.79 110.42 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -76.98 101.72 6.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.231 -0.441 . . . . 2.87 110.579 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' ARG . . . . . 0.445 ' O ' ' HA ' ' B' ' 88' ' ' LYS . 38.2 mmt180 -111.8 154.36 25.19 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.485 -0.561 . . . . 3.93 109.485 -179.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -90.81 117.03 29.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.417 -0.356 . . . . 2.75 110.321 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 35.0 pt -112.64 149.88 15.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.106 -0.497 . . . . 1.33 109.94 -178.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.518 ' HA ' ' O ' ' B' ' 85' ' ' THR . 17.6 ptp180 -88.3 132.2 34.49 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.68 -0.691 . . . . 4.28 111.269 -174.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 30.4 pt -129.97 140.76 48.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.619 -0.719 . . . . 1.36 109.532 173.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -80.11 127.18 32.0 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.974 -0.38 . . . . 1.69 109.974 -178.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' THR . . . . . 0.416 ' OG1' HG22 ' B' ' 83' ' ' THR . 7.3 p -91.22 -29.2 17.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.438 -0.347 . . . . 2.65 111.412 -176.152 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -168.46 152.97 6.07 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.462 -0.336 . . . . 1.64 110.976 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . 0.772 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 14.4 t -99.94 106.89 18.75 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.29 -1.004 . . . . 1.6 108.29 173.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.504 ' O ' ' HA ' ' B' ' 80' ' ' CYS . 21.5 m -89.4 142.87 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.118 0.485 . . . . 1.53 111.418 -171.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . 0.487 ' SG ' ' HB2' ' B' ' 78' ' ' SER . 37.3 t -92.04 99.97 12.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.142 -0.935 . . . . 1.45 108.753 177.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.482 HG22 ' O ' ' B' ' 79' ' ' TYR . 17.7 m -85.35 152.61 3.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.327 -0.397 . . . . 2.0 110.542 -175.218 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . 0.521 ' HB3' ' CE3' ' B' ' 76' ' ' TRP . 85.4 mt -110.76 137.74 48.04 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 121.047 0.451 . . . . 1.86 110.292 178.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 22.4 m -126.82 155.62 42.6 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.665 -0.698 . . . . 3.01 109.522 176.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -77.76 9.63 3.33 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.304 -0.407 . . . . 7.45 111.762 -176.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt 71.32 33.02 2.03 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.575 0.702 . . . . 4.91 109.941 -177.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -156.46 145.26 20.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.879 -1.055 . . . . 4.74 109.379 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 53.1 p -103.98 174.51 5.84 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.616 0.246 . . . . 6.02 110.759 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.927 0 CA-C-O 117.907 -1.044 . . . . 9.38 111.093 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.2 m . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 110.49 -0.189 . . . . 14.21 110.49 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.2 p 66.96 -36.3 0.27 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.161 1.384 . . . . 12.85 113.555 176.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.8 m -62.37 -41.96 99.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.026 0.441 . . . . 11.6 110.651 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -146.38 84.75 7.68 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.945 -0.571 . . . . 10.94 109.472 177.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -73.67 61.65 4.52 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.772 2.314 . . . . 8.15 112.072 -178.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.487 ' HB ' ' HA ' ' A' ' 9' ' ' MET . 6.7 t 57.6 23.15 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 115.388 -0.824 . . . . 7.04 110.261 -178.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 53.5 t80 60.96 60.65 1.79 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.517 -0.765 . . . . 7.84 109.668 -176.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.419 ' O ' ' HB2' ' A' ' 9' ' ' MET . 54.0 m-70 63.17 36.45 12.04 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.673 -0.694 . . . . 8.41 110.294 -178.15 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.5 ' SD ' ' HG2' ' B' ' 118' ' ' ARG . 79.8 mtp 71.25 -10.21 0.81 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.382 0.673 . . . . 5.62 111.417 -173.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.41 ' H ' ' C ' ' A' ' 8' ' ' HIS . . . 99.0 117.66 3.92 Favored Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 111.279 -0.729 . . . . 4.39 111.279 -175.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.415 ' HB2' HG22 ' B' ' 109' ' ' VAL . 5.4 pt-20 -75.22 73.68 2.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.763 0.792 . . . . 4.63 110.287 178.104 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -58.3 132.14 52.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.495 -1.229 . . . . 4.02 111.511 -178.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.2 m -103.3 134.23 47.05 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.467 -0.788 . . . . 2.58 109.358 175.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.3 m -62.37 -18.02 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 121.09 0.472 . . . . 1.8 111.132 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.2 t -125.29 126.99 45.99 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.196 -1.038 . . . . 1.75 108.196 171.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -54.1 115.01 1.82 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.381 0.61 . . . . 2.87 112.282 -171.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.4 m -128.22 145.54 51.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.262 -0.881 . . . . 1.91 109.824 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -117.52 122.28 69.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.889 0.376 . . . . 1.88 110.625 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.402 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 4.6 p -94.77 113.97 25.8 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.181 0.515 . . . . 1.95 110.565 179.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.9 t -119.58 138.33 50.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.146 -0.479 . . . . 1.55 110.901 -177.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -97.12 96.13 8.24 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.173 -0.677 . . . . 1.86 109.173 172.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.2 t -83.43 108.57 16.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.927 -0.578 . . . . 1.41 110.45 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.3 6.78 56.1 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.672 -0.775 . . . . 1.36 111.87 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -137.85 42.39 2.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.762 0.315 . . . . 3.02 110.798 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -76.29 130.31 37.96 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.797 -0.445 . . . . 1.64 109.797 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 37' ' ' THR . 8.8 t -115.99 -17.19 10.99 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.507 0.558 . . . . 2.12 112.507 -175.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.7 p -137.59 141.76 41.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.875 -0.516 . . . . 1.54 111.652 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -154.64 163.78 39.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.988 -0.551 . . . . 1.29 110.454 174.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.4 m -103.2 121.03 41.83 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.136 -0.483 . . . . 1.53 110.686 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.449 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 20.2 t70 -65.15 162.8 16.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.325 -0.852 . . . . 1.85 110.351 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.467 ' HA ' ' CE2' ' A' ' 86' ' ' PHE . 16.8 tt -59.9 -27.48 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.72 0.295 . . . . 1.74 111.603 -178.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -83.7 -9.55 58.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 2.65 111.078 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.95 20.2 14.89 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.563 -0.827 . . . . 1.25 112.749 177.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -95.59 125.76 40.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.887 -0.184 . . . . 2.58 110.705 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -81.7 115.04 20.77 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.204 -0.665 . . . . 2.19 109.204 176.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.1 m -125.22 158.67 33.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.937 -0.574 . . . . 1.48 111.398 -173.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 26' ' ' THR . 31.7 m -85.93 114.54 22.92 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.292 -0.867 . . . . 1.5 110.552 -179.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.423 ' HA ' HG21 ' A' ' 91' ' ' THR . 59.6 t -83.58 132.82 30.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.718 -0.674 . . . . 1.55 110.466 -177.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.0 mt -93.95 117.97 30.84 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.929 -0.767 . . . . 1.91 108.929 175.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.16 -11.16 60.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.379 0.609 . . . . 2.35 110.429 -178.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.467 ' HG2' ' HB3' ' A' ' 50' ' ' ARG . 45.0 mt-10 -132.16 116.33 16.85 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.972 -1.013 . . . . 3.59 109.04 175.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.493 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 16.2 m -89.8 130.54 38.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.293 0.568 . . . . 2.85 110.372 -177.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -99.87 98.88 9.62 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.773 -0.648 . . . . 3.25 109.872 -178.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.7 mm -114.04 91.35 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.197 -0.456 . . . . 2.98 110.199 -178.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.406 ' C ' ' H ' ' A' ' 47' ' ' SER . 0.9 OUTLIER 59.23 56.86 3.67 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.602 -0.727 . . . . 3.91 110.433 179.159 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 74.57 -20.53 0.32 Allowed 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.363 -0.835 . . . . 5.31 111.825 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.406 ' H ' ' C ' ' A' ' 45' ' ' ASN . 22.9 t -85.61 115.27 23.2 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.515 -0.55 . . . . 3.53 109.515 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 49.2 t -101.46 123.21 54.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.856 -0.611 . . . . 2.78 110.934 -177.075 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.45 ' O ' HG21 ' A' ' 42' ' ' VAL . 84.0 m-85 -116.96 125.62 51.7 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.934 -0.576 . . . . 4.85 109.714 175.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.467 ' HB3' ' HG2' ' A' ' 41' ' ' GLU . 14.2 ptp180 -101.81 142.51 33.02 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.701 -0.4 . . . . 5.38 110.248 177.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.401 ' HB3' ' HG3' ' B' ' 88' ' ' LYS . 1.0 OUTLIER -116.85 164.72 14.24 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.199 0.523 . . . . 5.18 111.251 -179.727 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -123.98 123.16 39.77 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.439 -0.949 . . . . 2.96 108.439 175.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -89.67 116.57 27.9 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 120.826 0.346 . . . . 1.28 110.694 -176.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.402 ' CE1' ' HB2' ' A' ' 19' ' ' SER . 84.7 t80 -83.73 94.76 8.22 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.794 -0.639 . . . . 4.41 109.642 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -102.03 109.01 20.62 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.614 -0.721 . . . . 1.49 110.183 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.4 m -91.52 96.67 10.61 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.468 -0.938 . . . . 1.56 108.468 172.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -101.66 152.11 21.21 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.515 -0.766 . . . . 2.93 110.439 -168.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 6.0 t -82.14 116.07 21.54 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.064 -0.516 . . . . 1.77 110.479 -175.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -74.62 -47.69 30.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.965 -0.561 . . . . 3.84 110.431 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -160.89 125.51 3.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.151 -0.477 . . . . 2.96 110.521 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.5 t -78.96 135.15 36.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.137 -0.483 . . . . 3.02 110.108 178.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.7 m120 64.05 74.67 0.41 Allowed Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.807 -0.633 . . . . 2.59 111.149 178.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -61.32 -27.27 82.89 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.603 2.202 . . . . 2.81 112.507 179.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.8 m -123.64 161.3 26.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.42 -0.354 . . . . 2.53 110.206 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -88.78 40.55 0.98 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.344 0.592 . . . . 4.19 111.31 -175.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.1 m -150.32 21.91 0.84 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.617 -0.719 . . . . 4.07 109.42 175.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.92 -104.2 1.43 Allowed Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.55 -0.75 . . . . 2.7 111.631 -176.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 93.3 m -135.19 169.06 18.03 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 110.217 -0.29 . . . . 1.76 110.217 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -67.65 125.66 26.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.773 0.321 . . . . 4.4 110.378 -175.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.495 ' O ' ' HA ' ' B' ' 71' ' ' ILE . . . 99.95 -29.71 11.57 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.888 -0.672 . . . . 1.61 111.912 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.478 ' HA ' ' O ' ' B' ' 70' ' ' GLY . 30.2 mm -76.91 84.92 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.143 0.497 . . . . 2.04 110.253 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -102.2 80.71 2.0 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.416 -0.587 . . . . 3.32 109.416 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.1 t -147.69 138.08 23.09 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.656 -0.702 . . . . 4.99 110.205 -178.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -91.02 -15.72 29.13 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.006 -0.738 . . . . 3.32 109.006 174.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -78.93 -28.75 43.85 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.801 -1.091 . . . . 4.16 109.705 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 82.5 m95 -113.09 118.22 34.15 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.812 -0.631 . . . . 3.71 111.408 -178.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -96.39 136.44 36.87 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.079 -1.082 . . . . 3.0 108.079 169.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.628 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 4.5 m -121.73 148.69 44.29 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 120.929 0.395 . . . . 2.16 111.73 -171.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -154.4 156.1 36.21 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.555 -0.748 . . . . 4.07 109.055 171.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.546 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 26.9 m -99.34 139.06 35.54 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.954 0.407 . . . . 1.67 111.416 -172.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.1 t -138.37 147.01 42.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.848 -0.615 . . . . 2.49 109.588 177.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.9 p -91.67 124.94 36.2 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.191 0.52 . . . . 3.09 112.066 -175.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 91.0 m -76.4 138.27 40.28 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.437 -0.949 . . . . 3.17 108.437 170.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -124.56 132.37 53.45 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.737 -0.385 . . . . 4.4 110.435 -178.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.609 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 8.9 t -114.36 160.57 18.96 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.175 -0.466 . . . . 1.61 109.753 -178.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.666 ' CE2' ' HB3' ' A' ' 103' ' ' ARG . 83.7 m-85 -120.54 117.22 27.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.805 0.336 . . . . 2.52 110.459 -176.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 31.1 m -113.63 156.15 14.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.249 -0.432 . . . . 1.59 110.703 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.422 ' HD3' ' CZ ' ' A' ' 101' ' ' PHE . 32.0 mmmt -84.56 113.07 20.97 Favored 'General case' 0 CA--C 1.515 -0.404 0 CA-C-O 120.914 0.388 . . . . 4.22 110.144 177.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.57 146.09 50.64 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.87 -0.604 . . . . 1.57 109.916 177.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.4 tp -77.96 104.45 8.53 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.644 -0.873 . . . . 1.87 108.644 176.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.423 HG21 ' HA ' ' A' ' 38' ' ' VAL . 67.9 p -112.74 145.46 40.48 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.161 -0.472 . . . . 1.44 110.36 -176.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.7 t -104.44 126.61 51.69 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.462 0.649 . . . . 1.63 110.442 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -70.98 -31.2 67.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.18 -0.918 . . . . 2.47 109.929 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -171.62 -58.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.168 -0.924 . . . . 3.09 108.515 178.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -125.33 -32.94 2.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.664 -0.698 . . . . 3.75 110.586 172.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -83.73 130.61 34.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.354 -0.384 . . . . 3.02 110.93 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -103.99 137.13 42.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.928 -0.578 . . . . 1.8 110.501 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.58 147.45 32.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.226 -0.443 . . . . 1.79 110.718 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -73.19 108.22 5.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.131 -0.486 . . . . 2.88 110.374 177.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.403 HH21 ' CG ' ' A' ' 30' ' ' ASP . 12.3 mmm180 -114.79 163.89 14.87 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.247 -0.433 . . . . 3.92 110.56 -179.365 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.449 ' O ' ' HA ' ' A' ' 30' ' ' ASP . 75.5 m-85 -89.8 113.23 24.75 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.137 -0.69 . . . . 2.74 109.137 173.086 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 40.8 pt -113.3 144.42 20.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 C-N-CA 120.449 -0.5 . . . . 1.33 110.752 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.666 ' HB3' ' CE2' ' A' ' 86' ' ' PHE . 19.0 ptp180 -94.03 130.76 40.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.556 -0.747 . . . . 4.27 111.278 -174.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.406 HD12 ' N ' ' A' ' 104' ' ' ILE . 0.2 OUTLIER -131.46 160.38 42.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 CA-C-N 115.889 -0.596 . . . . 1.36 110.522 174.636 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -69.11 123.32 20.77 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.485 -0.78 . . . . 1.69 110.668 -178.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.3 m -96.43 -34.86 11.36 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.567 -0.742 . . . . 2.66 110.701 -177.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -179.34 160.48 1.01 Allowed 'General case' 0 CA--C 1.522 -0.106 0 CA-C-N 115.779 -0.646 . . . . 1.64 110.119 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.546 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 39.1 t -113.29 100.99 8.98 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.591 -0.892 . . . . 1.59 108.591 171.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.487 ' O ' ' HA ' ' A' ' 80' ' ' CYS . 22.2 m -94.92 152.25 3.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.013 -0.54 . . . . 1.52 110.914 -172.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.628 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 32.5 t -104.06 109.44 21.23 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.221 -0.659 . . . . 1.45 109.221 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.456 ' O ' ' HA ' ' A' ' 78' ' ' SER . 13.5 m -86.18 153.14 3.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.165 -0.47 . . . . 2.0 110.47 -175.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.0 mt -108.93 137.55 46.67 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.758 -0.46 . . . . 1.86 109.758 177.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 44.5 t -132.22 144.21 50.47 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.243 -0.435 . . . . 3.01 110.078 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 42.8 ttp180 -80.49 8.57 7.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.924 -0.58 . . . . 7.46 110.14 178.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm 70.28 36.61 1.77 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.466 -0.788 . . . . 4.91 110.121 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.86 -71.92 0.41 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.772 -0.649 . . . . 4.73 110.888 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.6 t -157.9 157.82 33.87 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.192 -0.458 . . . . 6.02 109.86 -178.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.48 ' HG2' ' SD ' ' B' ' 9' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.565 -0.731 . . . . 9.37 109.46 177.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 22.0 m . . . . . 0 N--CA 1.473 0.707 0 N-CA-C 110.458 -0.201 . . . . 14.21 110.458 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 86.8 p 67.05 -36.32 0.28 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.183 1.393 . . . . 12.86 113.655 176.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 7.3 m -62.75 -41.65 99.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.156 0.503 . . . . 11.6 110.74 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -146.71 85.3 7.21 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.316 -0.624 . . . . 10.95 109.316 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.04 61.54 4.83 Favored 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 122.919 2.413 . . . . 8.15 112.107 -178.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . 0.467 ' HB ' ' HA ' ' B' ' 9' ' ' MET . 6.6 t 57.63 23.08 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 115.349 -0.841 . . . . 7.04 110.174 -178.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 53.0 t80 61.07 60.26 1.84 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.555 -0.748 . . . . 7.83 109.787 -176.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' B' ' 9' ' ' MET . 54.6 m-70 63.17 36.7 11.88 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.61 -0.723 . . . . 8.41 110.365 -177.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' MET . . . . . 0.48 ' SD ' ' HG2' ' A' ' 118' ' ' ARG . 80.2 mtp 71.05 -9.95 0.81 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.37 0.668 . . . . 5.62 111.411 -173.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.83 117.63 3.89 Favored Glycine 0 N--CA 1.44 -1.037 0 N-CA-C 111.109 -0.796 . . . . 4.39 111.109 -175.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.426 ' HB2' HG22 ' A' ' 109' ' ' VAL . 5.4 pt-20 -75.28 73.55 2.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.931 0.872 . . . . 4.62 110.37 178.032 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -58.25 132.33 53.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.527 -1.215 . . . . 4.01 111.45 -178.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 24.1 m -103.39 134.24 47.1 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.374 -0.83 . . . . 2.58 109.509 175.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 28.3 m -62.42 -17.98 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-O 121.126 0.489 . . . . 1.81 111.133 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 t -125.22 127.32 46.58 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.14 -1.059 . . . . 1.75 108.14 171.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -53.97 115.16 1.88 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.269 0.557 . . . . 2.87 112.426 -171.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 45.0 m -128.66 145.17 51.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.441 -0.799 . . . . 1.91 109.848 178.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -117.36 121.99 68.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 120.946 0.403 . . . . 1.88 110.646 -179.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.407 ' HB2' ' CE1' ' B' ' 54' ' ' PHE . 4.8 p -94.84 113.69 25.47 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.99 0.424 . . . . 1.95 110.518 179.012 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 59.0 t -119.32 138.35 50.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.105 -0.498 . . . . 1.55 110.886 -177.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -97.19 96.16 8.24 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.189 -0.671 . . . . 1.86 109.189 172.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 40.3 t -83.61 108.57 16.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.941 -0.572 . . . . 1.41 110.411 -177.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.12 6.57 56.45 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.577 -0.821 . . . . 1.36 112.007 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -137.75 42.77 2.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.88 0.371 . . . . 3.01 110.784 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -76.37 130.67 38.4 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.643 -0.503 . . . . 1.64 109.643 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 8.8 t -116.48 -17.07 10.74 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.525 0.565 . . . . 2.11 112.525 -175.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 12.1 p -137.82 141.44 40.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.985 -0.447 . . . . 1.53 111.668 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -154.5 163.57 40.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.985 -0.552 . . . . 1.29 110.359 174.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 27.1 m -102.87 121.26 42.14 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.142 -0.481 . . . . 1.52 110.748 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . 0.444 ' HA ' ' O ' ' B' ' 101' ' ' PHE . 20.1 t70 -65.12 162.8 16.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.392 -0.822 . . . . 1.84 110.422 179.367 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.467 ' HA ' ' CE2' ' B' ' 86' ' ' PHE . 16.6 tt -60.12 -27.44 39.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.729 0.299 . . . . 1.74 111.462 -178.241 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -83.58 -9.67 58.77 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.811 0.338 . . . . 2.65 111.115 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.96 20.25 14.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.766 -0.731 . . . . 1.25 112.837 177.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -95.61 126.01 40.6 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.77 -0.253 . . . . 2.58 110.465 179.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -82.08 115.07 21.04 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.276 -0.638 . . . . 2.19 109.276 176.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 16.1 m -124.96 158.96 32.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.853 -0.612 . . . . 1.48 111.408 -173.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 30.2 m -86.3 114.52 23.17 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.193 -0.912 . . . . 1.5 110.451 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.411 ' HA ' HG21 ' B' ' 91' ' ' THR . 60.5 t -83.37 133.19 29.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.84 -0.618 . . . . 1.55 110.556 -177.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 63.5 mt -94.23 117.83 30.69 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.012 -0.736 . . . . 1.91 109.012 175.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.14 -10.8 60.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.295 0.569 . . . . 2.34 110.523 -178.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.458 ' HG2' ' HB3' ' B' ' 50' ' ' ARG . 44.7 mt-10 -132.47 116.5 16.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.104 -0.953 . . . . 3.59 109.122 175.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.486 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 16.3 m -89.93 130.46 39.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.308 0.575 . . . . 2.85 110.248 -177.393 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -99.97 99.06 9.76 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.721 -0.672 . . . . 3.25 109.773 -178.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 48.8 mm -114.1 91.22 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.197 -0.456 . . . . 2.98 110.247 -178.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . 0.408 ' C ' ' H ' ' B' ' 47' ' ' SER . 0.9 OUTLIER 59.39 56.58 3.7 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.66 -0.7 . . . . 3.91 110.404 179.134 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 74.61 -19.63 0.36 Allowed 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.415 -0.811 . . . . 5.31 111.804 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' SER . . . . . 0.408 ' H ' ' C ' ' B' ' 45' ' ' ASN . 23.0 t -86.45 115.4 23.93 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.473 -0.566 . . . . 3.54 109.473 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 49.1 t -101.7 122.6 54.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.856 -0.611 . . . . 2.78 111.079 -176.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . 0.46 ' O ' HG21 ' B' ' 42' ' ' VAL . 84.7 m-85 -116.38 125.07 51.55 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.926 -0.579 . . . . 4.84 109.981 175.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.458 ' HB3' ' HG2' ' B' ' 41' ' ' GLU . 14.3 ptp180 -101.41 142.09 33.31 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.749 -0.38 . . . . 5.38 110.57 177.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . 0.403 ' HB3' ' HG3' ' A' ' 88' ' ' LYS . 1.0 OUTLIER -116.51 164.88 13.91 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.175 0.512 . . . . 5.18 111.154 -179.56 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -124.12 123.02 39.4 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.391 -0.966 . . . . 2.96 108.391 175.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -89.52 116.72 27.9 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.934 0.397 . . . . 1.28 110.675 -176.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . 0.407 ' CE1' ' HB2' ' B' ' 19' ' ' SER . 84.8 t80 -83.81 94.89 8.29 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.697 -0.683 . . . . 4.41 109.629 -179.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -102.1 109.14 20.77 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.446 -0.797 . . . . 1.49 110.21 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 15.6 m -91.66 96.61 10.54 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.508 -0.923 . . . . 1.57 108.508 171.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -101.67 152.04 21.3 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.41 -0.814 . . . . 2.93 110.416 -168.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 6.1 t -82.09 116.34 21.63 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.929 -0.578 . . . . 1.77 110.32 -175.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -74.84 -47.86 28.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.855 -0.611 . . . . 3.85 110.405 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -160.63 125.51 3.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.132 -0.486 . . . . 2.96 110.638 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 40.4 t -79.06 135.13 36.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.338 -0.392 . . . . 3.01 110.056 178.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 19.7 m120 64.01 74.81 0.41 Allowed Pre-proline 0 C--N 1.329 -0.316 0 O-C-N 123.693 0.62 . . . . 2.59 111.092 178.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -61.42 -27.37 82.51 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.592 2.194 . . . . 2.81 112.599 179.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 29.4 m -123.39 161.22 25.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.388 -0.369 . . . . 2.53 110.205 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -88.69 40.43 0.97 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.413 0.625 . . . . 4.2 111.274 -175.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 50.2 m -150.06 22.17 0.86 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.609 -0.723 . . . . 4.07 109.37 175.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.56 -104.34 1.48 Allowed Glycine 0 N--CA 1.443 -0.864 0 CA-C-N 115.719 -0.673 . . . . 2.7 111.594 -176.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 93.2 m -135.0 169.05 18.02 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 110.231 -0.285 . . . . 1.76 110.231 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -67.46 125.76 27.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.795 0.331 . . . . 4.4 110.461 -175.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . 0.478 ' O ' ' HA ' ' A' ' 71' ' ' ILE . . . 99.73 -29.81 11.29 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.722 -0.751 . . . . 1.61 111.959 -179.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . 0.495 ' HA ' ' O ' ' A' ' 70' ' ' GLY . 30.8 mm -76.9 84.85 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.19 0.519 . . . . 2.04 110.299 -179.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -102.09 80.11 1.95 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.305 0.574 . . . . 3.32 109.561 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 45.4 t -147.52 138.32 23.44 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.743 -0.662 . . . . 4.99 110.249 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -91.03 -15.78 29.01 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.726 0.774 . . . . 3.33 109.073 174.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -78.74 -28.83 44.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.722 -1.126 . . . . 4.16 109.654 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . 81.6 m95 -113.25 117.85 33.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.8 -0.636 . . . . 3.7 111.525 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -95.96 136.41 36.44 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.089 -1.078 . . . . 3.0 108.089 169.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.633 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 4.7 m -121.79 148.67 44.36 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.875 0.369 . . . . 2.16 111.721 -171.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -154.36 156.01 36.12 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.684 -0.689 . . . . 4.07 109.16 171.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . 0.542 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 25.2 m -99.06 139.46 34.66 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.974 0.416 . . . . 1.67 111.389 -172.316 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 8.9 t -138.69 146.92 42.16 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.734 -0.667 . . . . 2.49 109.49 177.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 14.0 p -91.33 125.65 36.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.103 0.477 . . . . 3.09 112.014 -175.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 88.6 m -76.93 138.28 39.59 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.334 -0.987 . . . . 3.17 108.334 170.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -124.71 132.44 53.38 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.73 -0.388 . . . . 4.39 110.375 -178.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' THR . . . . . 0.611 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 8.9 t -114.39 160.5 19.07 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.066 -0.515 . . . . 1.61 109.716 -178.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . 0.664 ' CE2' ' HB3' ' B' ' 103' ' ' ARG . 83.0 m-85 -120.58 117.45 27.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.833 0.349 . . . . 2.52 110.372 -176.358 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 30.8 m -113.79 156.08 14.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.282 -0.417 . . . . 1.59 110.697 -179.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . 0.414 ' HD3' ' CZ ' ' B' ' 101' ' ' PHE . 32.0 mmmt -84.47 113.24 21.06 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 116.327 -0.397 . . . . 4.22 110.212 177.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.71 146.07 50.69 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.918 -0.583 . . . . 1.57 109.961 177.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 23.4 tp -77.97 104.49 8.56 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.652 -0.87 . . . . 1.87 108.652 176.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' THR . . . . . 0.411 HG21 ' HA ' ' B' ' 38' ' ' VAL . 67.1 p -112.74 145.39 40.61 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.121 -0.491 . . . . 1.44 110.453 -176.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 8.1 t -104.51 126.62 51.76 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.368 0.604 . . . . 1.63 110.357 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -70.84 -31.61 68.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.196 -0.911 . . . . 2.46 109.989 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -171.32 -58.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.134 -0.939 . . . . 3.09 108.568 178.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -125.86 -32.78 2.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.649 -0.705 . . . . 3.76 110.349 173.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -83.89 131.08 34.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.934 0.397 . . . . 3.02 110.744 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -104.41 136.49 43.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.839 -0.619 . . . . 1.8 110.682 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.06 147.52 32.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.231 -0.441 . . . . 1.79 110.743 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -73.05 107.95 5.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.011 -0.54 . . . . 2.87 110.573 177.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' ARG . . . . . 0.4 HH21 ' CG ' ' B' ' 30' ' ' ASP . 12.3 mmm180 -114.68 163.84 14.89 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.347 -0.388 . . . . 3.93 110.56 -179.182 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . 0.444 ' O ' ' HA ' ' B' ' 30' ' ' ASP . 75.9 m-85 -89.65 113.33 24.78 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.269 -0.641 . . . . 2.75 109.269 173.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' B' ' 86' ' ' PHE . 41.0 pt -113.47 144.44 21.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 C-N-CA 120.363 -0.535 . . . . 1.33 110.729 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.664 ' HB3' ' CE2' ' B' ' 86' ' ' PHE . 19.0 ptp180 -93.92 131.04 39.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.524 -0.762 . . . . 4.28 111.251 -174.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' ILE . . . . . 0.407 HD12 ' N ' ' B' ' 104' ' ' ILE . 0.2 OUTLIER -131.53 160.21 42.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.847 -0.615 . . . . 1.36 110.545 174.582 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -68.81 123.25 20.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.444 -0.798 . . . . 1.69 110.577 -178.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 2.4 m -96.48 -34.94 11.31 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.621 -0.718 . . . . 2.65 110.54 -177.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -179.38 160.49 1.0 Allowed 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.846 -0.616 . . . . 1.64 110.15 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . 0.542 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 40.0 t -113.11 100.9 8.95 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.676 -0.861 . . . . 1.6 108.676 171.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . 0.475 ' O ' ' HA ' ' B' ' 80' ' ' CYS . 21.9 m -94.94 152.14 3.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.032 -0.531 . . . . 1.53 110.913 -172.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . 0.633 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 32.6 t -103.94 109.33 21.05 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.18 -0.674 . . . . 1.45 109.18 179.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.446 ' O ' ' HA ' ' B' ' 78' ' ' SER . 13.3 m -86.17 153.17 3.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.334 -0.394 . . . . 2.0 110.697 -175.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 81.4 mt -108.95 137.54 46.7 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.802 -0.444 . . . . 1.86 109.802 177.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 43.1 t -132.25 144.41 50.6 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.14 -0.482 . . . . 3.01 110.1 178.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -80.96 8.42 8.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.241 0.544 . . . . 7.45 109.93 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm 70.64 36.27 1.66 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.305 -0.862 . . . . 4.91 110.081 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.58 -71.82 0.41 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.621 -0.718 . . . . 4.74 110.919 -179.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 6.7 t -158.02 156.71 31.61 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.066 -0.515 . . . . 6.02 110.051 -178.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' ARG . . . . . 0.5 ' HG2' ' SD ' ' A' ' 9' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.421 -0.799 . . . . 9.38 109.297 177.251 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.5 p . . . . . 0 N--CA 1.476 0.828 0 CA-C-O 120.921 0.391 . . . . 14.21 110.762 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.433 ' C ' ' HG1' ' A' ' 3' ' ' THR . 54.0 m -132.44 54.99 1.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.718 -0.475 . . . . 12.85 109.718 176.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.433 ' HG1' ' C ' ' A' ' 2' ' ' SER . 37.9 p 56.6 168.52 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.402 1.081 . . . . 11.6 112.955 -177.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.5 t60 55.78 65.6 4.32 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 115.47 -0.787 . . . . 10.94 110.72 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -84.97 40.24 0.81 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.737 2.292 . . . . 8.15 112.375 -177.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.8 t 59.33 34.79 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-O 121.536 0.684 . . . . 7.04 109.843 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.9 t80 56.86 41.32 28.13 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.234 -0.894 . . . . 7.84 109.674 -176.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.5 m80 61.24 57.24 2.48 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.194 -0.912 . . . . 8.41 109.997 -175.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 21.2 ptp 43.45 53.5 5.64 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 124.109 0.881 . . . . 5.62 111.491 -175.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -129.83 -158.69 9.53 Favored Glycine 0 N--CA 1.443 -0.877 0 CA-C-N 115.317 -0.856 . . . . 4.39 112.126 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 61.71 18.37 9.56 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.01 0.524 . . . . 4.63 111.624 -178.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.601 ' HB2' ' O ' ' B' ' 112' ' ' LEU . 62.9 m-85 -72.27 132.17 43.7 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.566 -0.531 . . . . 4.02 109.566 175.301 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.0 m -79.76 126.46 30.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.573 -0.739 . . . . 2.58 111.713 -172.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.4 m -64.03 -27.89 43.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 115.713 -0.676 . . . . 1.8 110.184 173.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.2 t -135.65 128.94 32.0 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.014 -0.994 . . . . 1.75 108.326 173.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -56.39 136.25 53.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.115 0.483 . . . . 2.87 111.064 -176.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.408 ' HB3' ' HB3' ' A' ' 108' ' ' CYS . 25.8 p -140.71 145.46 36.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.002 -0.545 . . . . 1.91 111.072 -174.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.509 ' HB ' ' NE ' ' A' ' 59' ' ' ARG . 4.0 p -119.9 116.43 50.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.065 -0.516 . . . . 1.88 111.039 -178.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.431 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 53.9 m -88.05 122.19 31.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.343 -0.389 . . . . 1.95 110.097 177.122 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.2 t -119.52 141.8 37.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.057 -0.52 . . . . 1.55 110.394 -177.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -104.62 97.07 7.02 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.404 -0.591 . . . . 1.86 109.404 173.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 56.4 t -71.73 119.04 17.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.487 -0.779 . . . . 1.41 110.359 -177.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.483 ' HA2' ' CD1' ' A' ' 52' ' ' TYR . . . -88.08 -6.75 74.79 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.986 -0.626 . . . . 1.36 112.57 -177.192 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -158.82 84.62 0.82 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.044 0.45 . . . . 3.02 110.342 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -80.94 138.52 36.1 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.414 -0.587 . . . . 1.64 109.414 175.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.3 p -87.39 -64.74 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.33 0.492 . . . . 2.12 112.33 -174.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.1 p -134.65 149.63 50.56 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.867 0.365 . . . . 1.54 111.616 -175.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -149.2 166.99 27.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.041 -0.527 . . . . 1.29 110.603 176.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.7 m -101.06 118.59 37.29 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.133 -0.485 . . . . 1.53 110.73 -179.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.417 ' OD2' ' HB3' ' A' ' 100' ' ' ARG . 21.9 t70 -71.54 158.33 36.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.662 -0.699 . . . . 1.85 109.454 175.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.8 tt -61.33 -18.92 19.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.876 -0.602 . . . . 1.74 111.587 -175.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -90.22 8.82 31.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.998 0.428 . . . . 2.65 110.869 178.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.99 22.04 56.01 Favored Glycine 0 N--CA 1.453 -0.191 0 CA-C-N 115.902 -0.59 . . . . 1.25 112.991 174.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -104.67 138.76 40.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.943 0.401 . . . . 2.58 111.165 -178.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -90.36 114.6 26.74 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.145 -0.687 . . . . 2.19 109.145 174.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.9 m -123.4 157.18 29.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.956 -0.565 . . . . 1.48 111.193 -174.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.7 m -84.0 124.85 31.49 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.416 -0.811 . . . . 1.5 109.714 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.408 ' HA ' HG21 ' A' ' 91' ' ' THR . 42.1 t -89.09 137.84 20.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.151 -0.477 . . . . 1.55 111.303 -172.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.4 mt -111.54 116.34 30.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.999 -0.546 . . . . 1.91 109.721 176.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.448 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . . . -68.96 -23.22 64.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.263 0.554 . . . . 2.35 110.336 178.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -105.78 126.29 52.0 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.016 -0.993 . . . . 3.59 109.409 176.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 42' ' ' VAL . 19.0 m -90.09 98.6 8.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.868 0.842 . . . . 2.85 110.398 -178.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -85.37 97.65 10.1 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.236 -0.893 . . . . 3.25 109.459 178.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 53.3 mt -94.53 -70.7 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.915 -0.584 . . . . 2.98 109.461 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -163.88 95.18 0.78 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.552 -0.749 . . . . 3.91 109.322 175.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.6 t30 74.88 -46.02 0.59 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.5 0.72 . . . . 5.31 111.045 -177.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.5 m -77.25 114.53 16.16 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.756 0.312 . . . . 3.53 110.22 177.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 16.7 t -135.88 137.53 48.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.766 -0.457 . . . . 2.78 109.766 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -153.61 154.16 33.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.956 0.408 . . . . 4.85 111.177 177.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -117.74 135.25 54.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.627 -0.715 . . . . 5.38 110.017 176.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -120.81 -2.83 9.76 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.356 -0.609 . . . . 5.18 109.356 174.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.483 ' CD1' ' HA2' ' A' ' 23' ' ' GLY . 13.3 m-30 71.05 175.79 0.29 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 114.92 -1.037 . . . . 2.96 110.453 -178.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.448 ' CE2' ' HA ' ' A' ' 40' ' ' ALA . 91.3 m-85 -117.35 127.47 54.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.935 0.398 . . . . 1.28 111.028 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -84.63 110.57 18.83 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.756 -0.656 . . . . 4.41 110.836 -178.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -125.15 116.52 22.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.128 -0.487 . . . . 1.49 109.875 178.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' A' ' 19' ' ' SER . 52.9 m -100.6 110.31 22.45 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.162 0.506 . . . . 1.56 109.82 179.025 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -103.2 155.27 18.55 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.65 -0.704 . . . . 2.93 110.734 -172.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 76.7 m -79.6 123.45 27.62 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.831 -0.622 . . . . 1.77 111.22 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.509 ' NE ' ' HB ' ' A' ' 18' ' ' VAL . 81.3 mtt180 -83.46 98.92 9.78 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.118 -0.697 . . . . 3.84 109.118 173.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 64.3 -165.69 0.23 Allowed 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.613 0.57 . . . . 2.96 110.239 -176.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.8 p -157.7 139.92 14.4 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 121.236 -0.186 . . . . 3.02 111.173 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.475 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 12.9 m120 63.52 74.15 0.45 Allowed Pre-proline 0 N--CA 1.468 0.462 0 O-C-N 123.935 0.772 . . . . 2.59 112.013 176.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -65.73 -21.29 58.65 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.422 2.082 . . . . 2.81 112.151 176.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.4 m -129.57 158.75 42.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.994 -0.548 . . . . 2.53 110.044 178.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 66' ' ' SER . 0.3 OUTLIER -83.56 80.44 9.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.074 0.464 . . . . 4.19 109.928 -178.012 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.413 ' HB2' ' O ' ' A' ' 65' ' ' GLU . 9.4 t 174.14 -36.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.41 -0.959 . . . . 4.07 108.41 179.267 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.528 ' HA3' ' HB2' ' A' ' 78' ' ' SER . . . 164.56 -95.45 0.12 Allowed Glycine 0 N--CA 1.44 -1.066 0 CA-C-N 115.505 -0.77 . . . . 2.7 111.988 179.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 65.7 m -124.96 168.19 13.65 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.679 -0.489 . . . . 1.76 109.679 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -61.38 121.09 11.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.786 0.327 . . . . 4.4 110.293 -177.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' B' ' 71' ' ' ILE . . . 112.07 -32.14 6.52 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.098 -0.572 . . . . 1.61 111.77 -176.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 30.0 mm -79.61 125.75 38.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.704 0.288 . . . . 2.04 110.308 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -147.96 83.33 1.51 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.438 -0.578 . . . . 3.32 109.438 175.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.2 t -145.16 148.39 33.52 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.907 -0.588 . . . . 4.99 110.364 -175.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -96.91 -11.38 24.77 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.355 0.598 . . . . 3.32 109.405 174.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -86.89 -29.12 22.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.278 -0.874 . . . . 4.16 109.897 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.553 ' CE3' ' HB3' ' A' ' 112' ' ' LEU . 94.8 m95 -116.36 138.86 50.99 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.415 -0.811 . . . . 3.71 110.742 -177.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -116.26 133.32 56.15 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.102 -1.073 . . . . 3.0 108.102 167.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.528 ' HB2' ' HA3' ' A' ' 67' ' ' GLY . 1.4 m -120.58 150.08 41.43 Favored 'General case' 0 C--N 1.315 -0.929 0 C-N-CA 120.369 -0.533 . . . . 2.16 110.741 -175.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.5 p90 -155.56 161.72 40.81 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.845 -0.616 . . . . 4.07 109.966 176.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.526 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 9.2 m -84.39 115.2 22.4 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.382 -0.826 . . . . 1.67 110.342 -173.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.8 m -124.79 133.26 53.2 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.105 -0.498 . . . . 2.49 110.02 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.441 ' HA ' ' O ' ' A' ' 107' ' ' ALA . 3.2 p -81.48 131.57 35.28 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.096 0.474 . . . . 3.09 111.331 178.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.6 p -76.54 123.27 25.81 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.008 -0.542 . . . . 3.17 109.642 176.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.547 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 31.3 m80 -105.09 115.88 31.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.241 -0.436 . . . . 4.4 109.937 -176.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.696 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 6.2 t -118.84 162.8 17.88 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.978 -0.378 . . . . 1.61 109.978 -179.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -102.5 116.78 33.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.809 0.338 . . . . 2.52 110.216 -176.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.6 m -109.7 142.12 23.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.985 -0.552 . . . . 1.59 110.962 -178.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -77.45 103.11 7.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.61 -0.723 . . . . 4.22 110.902 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.04 147.96 50.95 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.508 -0.769 . . . . 1.57 110.433 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.7 tp -72.66 118.0 15.04 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.89 -0.782 . . . . 1.87 108.89 174.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.408 HG21 ' HA ' ' A' ' 38' ' ' VAL . 76.8 p -127.0 158.01 38.03 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 116.223 -0.444 . . . . 1.44 109.961 -178.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.7 t -120.45 121.4 38.42 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.768 0.794 . . . . 1.63 110.224 177.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -69.32 -43.65 73.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.83 -1.077 . . . . 2.47 110.421 178.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -165.51 -69.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 3.09 110.596 177.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -100.42 -29.84 12.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.912 0.387 . . . . 3.75 111.025 -178.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -108.58 151.08 26.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.915 0.388 . . . . 3.02 111.371 -176.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -114.6 135.64 53.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.752 -0.658 . . . . 1.8 109.777 175.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.35 159.35 43.46 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.654 0.264 . . . . 1.79 110.643 -177.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -74.8 114.6 13.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.166 -0.47 . . . . 2.88 110.324 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.417 ' HB3' ' OD2' ' A' ' 30' ' ' ASP . 74.5 mmt-85 -122.08 173.18 7.72 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.992 -0.549 . . . . 3.92 109.781 178.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -119.73 104.42 10.22 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.03 -0.73 . . . . 2.74 109.03 -174.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 30.0 pt -111.97 143.17 22.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.024 0.44 . . . . 1.33 111.464 -168.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.696 ' HA ' ' O ' ' A' ' 85' ' ' THR . 0.1 OUTLIER -79.33 128.39 33.27 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.454 -0.793 . . . . 4.27 111.128 -177.771 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.547 ' O ' ' HA ' ' A' ' 84' ' ' HIS . 45.9 pt -130.12 153.0 38.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.564 -0.744 . . . . 1.36 110.104 175.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.438 ' HB2' ' HB ' ' A' ' 82' ' ' THR . 4.3 p-10 -82.9 103.51 12.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.581 0.705 . . . . 1.69 110.071 175.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.7 m -90.85 -31.18 16.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.261 -0.881 . . . . 2.66 112.04 -170.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.441 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -150.21 155.47 39.81 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.627 0.251 . . . . 1.64 110.557 -178.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.526 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 41.0 t -108.1 108.68 19.87 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.345 -0.613 . . . . 1.59 109.345 176.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 17.7 m -109.21 159.1 8.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.901 -0.591 . . . . 1.52 110.344 -174.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.419 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 13.4 t -97.81 107.67 20.22 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.75 -0.833 . . . . 1.45 108.75 176.093 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 78' ' ' SER . 27.7 m -93.37 153.47 3.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.32 -0.4 . . . . 2.0 110.83 -175.241 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.553 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . 97.5 mt -102.08 141.78 34.39 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.08 -0.509 . . . . 1.86 110.687 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.2 t -122.66 138.59 54.55 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.741 -0.837 . . . . 3.01 108.741 170.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -80.19 -3.94 51.03 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 123.443 0.464 . . . . 7.46 111.915 -173.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt 57.82 36.19 26.18 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.904 -0.589 . . . . 4.91 111.155 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -80.15 151.84 29.54 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.15 -0.477 . . . . 4.73 111.014 -176.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 34.7 p -128.41 152.18 48.51 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.979 -0.555 . . . . 6.02 109.986 177.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 118' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.826 0 CA-C-O 118.964 -0.541 . . . . 9.37 110.877 -179.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 31.2 p . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 120.588 0.232 . . . . 14.21 110.712 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.407 ' C ' ' HG1' ' B' ' 3' ' ' THR . 48.8 m -132.58 55.2 1.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.604 -0.517 . . . . 12.86 109.604 175.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' THR . . . . . 0.407 ' HG1' ' C ' ' B' ' 2' ' ' SER . 34.6 p 56.97 168.33 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.428 1.091 . . . . 11.6 112.942 -178.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 17.4 t60 55.8 65.51 4.38 Favored Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 115.707 -0.679 . . . . 10.95 110.857 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -85.08 40.38 0.82 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.767 2.311 . . . . 8.15 112.369 -177.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 7.0 t 59.33 34.55 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 121.592 0.71 . . . . 7.04 109.864 -179.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 11.1 t80 57.4 41.01 26.97 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.304 -0.862 . . . . 7.83 109.663 -176.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 46.3 m80 61.25 57.31 2.46 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.206 -0.906 . . . . 8.41 109.989 -174.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 21.2 ptp 43.58 53.62 5.76 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 124.04 0.837 . . . . 5.62 111.373 -176.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -130.48 -159.18 9.58 Favored Glycine 0 N--CA 1.443 -0.894 0 CA-C-N 115.19 -0.914 . . . . 4.39 112.077 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 62.01 18.58 10.05 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.079 0.552 . . . . 4.62 111.536 -177.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' PHE . . . . . 0.469 ' HB2' ' O ' ' A' ' 112' ' ' LEU . 61.8 m-85 -72.18 131.99 43.53 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.621 -0.511 . . . . 4.01 109.621 175.313 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 22.9 m -79.72 126.09 30.49 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.625 -0.716 . . . . 2.58 111.699 -172.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 19.1 m -63.95 -27.87 43.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 115.733 -0.667 . . . . 1.81 110.23 173.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 48.0 t -135.55 129.27 32.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.818 -1.083 . . . . 1.75 108.172 173.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -56.72 136.33 55.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.0 0.429 . . . . 2.87 111.155 -177.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.402 ' HB3' ' HB3' ' B' ' 108' ' ' CYS . 29.7 p -140.49 145.62 37.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.121 -0.49 . . . . 1.91 111.062 -174.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.512 ' HB ' ' NE ' ' B' ' 59' ' ' ARG . 3.9 p -120.16 116.47 50.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.206 -0.452 . . . . 1.88 110.99 -178.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.42 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 50.6 m -88.44 121.52 30.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.319 -0.4 . . . . 1.95 110.313 177.305 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 50.7 t -118.88 142.12 35.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.977 -0.556 . . . . 1.55 110.403 -177.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -104.75 97.17 7.1 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.37 -0.604 . . . . 1.86 109.37 173.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 57.3 t -72.01 118.89 17.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.395 -0.82 . . . . 1.41 110.269 -177.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.47 ' HA2' ' CD1' ' B' ' 52' ' ' TYR . . . -88.16 -6.66 74.61 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.008 -0.615 . . . . 1.36 112.667 -177.036 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -158.87 84.63 0.81 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.059 0.457 . . . . 3.01 110.321 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -80.94 138.77 36.11 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.328 -0.619 . . . . 1.64 109.328 175.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 9.3 p -87.79 -64.46 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.247 0.462 . . . . 2.11 112.247 -174.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.1 p -135.01 149.48 50.18 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.956 0.408 . . . . 1.53 111.696 -175.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -149.38 166.76 28.07 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.003 -0.544 . . . . 1.29 110.564 177.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 7.0 m -100.79 118.77 37.54 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.984 -0.553 . . . . 1.52 110.579 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -71.81 158.13 36.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.619 -0.719 . . . . 1.84 109.479 175.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.8 tt -61.39 -18.58 18.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.905 -0.589 . . . . 1.74 111.715 -175.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -90.34 8.44 33.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.974 0.416 . . . . 2.65 110.807 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.72 23.24 53.81 Favored Glycine 0 N--CA 1.453 -0.2 0 CA-C-N 115.978 -0.555 . . . . 1.25 113.059 174.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -105.5 138.87 40.99 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.653 0.263 . . . . 2.58 111.197 -178.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -90.57 114.76 27.07 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.11 -0.7 . . . . 2.19 109.11 174.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 19.9 m -123.41 157.36 29.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.999 -0.546 . . . . 1.48 111.171 -174.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 26.0 m -84.26 124.58 31.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.498 -0.774 . . . . 1.5 109.771 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.41 ' HA ' HG21 ' B' ' 91' ' ' THR . 42.4 t -88.8 137.95 20.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 116.171 -0.468 . . . . 1.55 111.304 -172.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 69.3 mt -111.63 116.18 30.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.13 -0.486 . . . . 1.91 109.717 176.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.449 ' HA ' ' CE2' ' B' ' 53' ' ' PHE . . . -68.6 -23.09 64.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.447 0.641 . . . . 2.34 110.462 178.33 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -106.09 126.19 51.91 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.938 -1.028 . . . . 3.59 109.39 177.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.414 ' O ' HG23 ' B' ' 42' ' ' VAL . 19.1 m -90.11 98.8 8.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 121.904 0.859 . . . . 2.85 110.42 -178.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -85.73 97.52 10.19 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.206 -0.906 . . . . 3.25 109.39 178.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 53.0 mt -94.33 -70.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.781 -0.645 . . . . 2.98 109.428 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -164.39 95.15 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.519 -0.764 . . . . 3.91 109.155 175.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 10.1 t30 74.83 -45.67 0.58 Allowed 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.893 0.746 . . . . 5.31 111.313 -177.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 14.0 m -78.13 114.48 17.04 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.058 -0.349 . . . . 3.54 110.058 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 17.0 t -135.8 137.95 48.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.96 -0.564 . . . . 2.78 109.621 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -153.82 154.52 34.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.93 0.395 . . . . 4.84 111.015 177.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -117.75 135.2 54.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.639 -0.709 . . . . 5.38 109.999 176.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -120.9 -2.22 9.79 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.363 -0.606 . . . . 5.18 109.363 173.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' TYR . . . . . 0.47 ' CD1' ' HA2' ' B' ' 23' ' ' GLY . 13.5 m-30 70.75 175.74 0.29 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 114.777 -1.101 . . . . 2.96 110.463 -178.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . 0.449 ' CE2' ' HA ' ' B' ' 40' ' ' ALA . 91.5 m-85 -117.33 127.46 54.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.801 0.334 . . . . 1.28 111.036 179.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -84.69 110.64 18.91 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.81 -0.632 . . . . 4.41 110.856 -178.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -125.05 116.73 22.58 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.083 -0.508 . . . . 1.49 109.887 177.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' THR . . . . . 0.42 ' HA ' ' HA ' ' B' ' 19' ' ' SER . 52.7 m -100.6 110.44 22.58 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.101 0.477 . . . . 1.57 109.883 178.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -103.23 155.13 18.66 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.706 -0.679 . . . . 2.93 110.704 -172.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 75.7 m -79.62 123.33 27.53 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.901 -0.59 . . . . 1.77 111.124 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' ARG . . . . . 0.512 ' NE ' ' HB ' ' B' ' 18' ' ' VAL . 81.2 mtt180 -83.47 98.91 9.78 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.109 -0.701 . . . . 3.85 109.109 174.132 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . 64.59 -165.7 0.23 Allowed 'General case' 0 C--O 1.233 0.226 0 O-C-N 123.594 0.559 . . . . 2.96 110.125 -176.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 9.8 p -157.81 140.08 14.41 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 121.188 -0.205 . . . . 3.01 111.2 -179.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . 0.467 ' HA ' ' O ' ' B' ' 67' ' ' GLY . 12.6 m120 63.09 74.66 0.44 Allowed Pre-proline 0 N--CA 1.468 0.429 0 O-C-N 123.842 0.714 . . . . 2.59 111.774 176.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -65.52 -22.16 59.09 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.394 2.063 . . . . 2.81 112.055 176.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 35.4 m -129.06 158.65 41.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.03 -0.532 . . . . 2.53 110.062 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' B' ' 66' ' ' SER . 0.3 OUTLIER -83.53 80.8 8.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.134 0.493 . . . . 4.2 109.747 -178.211 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' SER . . . . . 0.432 ' HB2' ' O ' ' B' ' 65' ' ' GLU . 9.5 t 173.93 -36.53 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.88 -1.054 . . . . 4.07 108.426 178.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.513 ' HA3' ' HB2' ' B' ' 78' ' ' SER . . . 164.45 -95.59 0.12 Allowed Glycine 0 N--CA 1.442 -0.942 0 CA-C-N 115.432 -0.804 . . . . 2.7 112.045 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 65.3 m -124.83 168.26 13.49 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.657 -0.497 . . . . 1.76 109.657 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -61.51 120.82 11.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.343 . . . . 4.4 110.41 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 112.68 -32.86 5.95 Favored Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 111.483 -0.647 . . . . 1.61 111.483 -176.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 70' ' ' GLY . 30.0 mm -78.97 125.57 38.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 110.259 -0.274 . . . . 2.04 110.259 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -147.73 83.27 1.53 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.424 -0.584 . . . . 3.32 109.424 175.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 42.3 t -145.15 148.04 33.15 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.016 -0.538 . . . . 4.99 110.479 -175.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -96.43 -11.69 25.3 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.302 -0.629 . . . . 3.33 109.302 174.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -86.81 -28.98 22.61 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.512 -0.767 . . . . 4.16 109.856 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' TRP . . . . . 0.561 ' CE3' ' HB3' ' B' ' 112' ' ' LEU . 95.0 m95 -116.57 138.56 51.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.554 -0.748 . . . . 3.7 110.892 -177.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -115.9 133.25 56.22 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.111 -1.07 . . . . 3.0 108.111 167.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' SER . . . . . 0.513 ' HB2' ' HA3' ' B' ' 67' ' ' GLY . 1.4 m -120.55 149.94 41.64 Favored 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 120.345 -0.542 . . . . 2.16 110.78 -175.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -155.44 161.86 40.88 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.769 -0.65 . . . . 4.07 110.003 176.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . 0.533 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 9.0 m -84.45 115.16 22.41 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.364 -0.835 . . . . 1.67 110.44 -173.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 88.1 m -124.72 133.24 53.25 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.069 -0.514 . . . . 2.49 110.097 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' B' ' 107' ' ' ALA . 3.0 p -81.55 131.53 35.28 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-O 120.977 0.417 . . . . 3.09 111.282 178.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 15.6 p -76.61 123.54 26.26 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 116.136 -0.483 . . . . 3.17 109.735 176.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' HIS . . . . . 0.525 ' HA ' ' O ' ' B' ' 104' ' ' ILE . 31.5 m80 -105.31 115.76 30.81 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.809 -0.441 . . . . 4.39 109.809 -176.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' THR . . . . . 0.698 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 6.2 t -118.91 162.81 17.88 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.066 -0.346 . . . . 1.61 110.066 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -102.42 116.74 33.25 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.867 0.365 . . . . 2.52 110.212 -176.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 21.7 m -109.62 142.32 22.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.11 -0.496 . . . . 1.59 110.919 -178.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -77.74 103.16 7.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.61 -0.723 . . . . 4.22 110.849 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.09 147.95 50.99 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.417 -0.81 . . . . 1.57 110.32 -179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 15.6 tp -72.68 117.77 14.78 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.882 -0.784 . . . . 1.87 108.882 174.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' THR . . . . . 0.41 HG21 ' HA ' ' B' ' 38' ' ' VAL . 77.7 p -126.97 158.01 38.0 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.211 -0.449 . . . . 1.44 109.925 -178.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 12.0 t -120.32 121.32 38.36 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.763 0.792 . . . . 1.63 110.222 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -68.93 -43.79 74.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.975 -1.011 . . . . 2.46 110.461 177.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -165.57 -70.09 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.105 -0.498 . . . . 3.09 110.605 177.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -99.61 -30.48 12.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.874 0.368 . . . . 3.76 111.161 -178.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -108.19 151.07 26.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.826 0.346 . . . . 3.02 111.383 -176.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -114.85 135.13 54.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.756 -0.657 . . . . 1.8 109.662 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.03 158.87 43.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.752 0.31 . . . . 1.79 110.485 -177.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -74.12 114.99 13.08 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.119 -0.491 . . . . 2.87 110.474 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 74.6 mmt-85 -122.45 173.11 7.86 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.956 -0.566 . . . . 3.93 109.852 178.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -119.66 104.52 10.34 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.136 -0.69 . . . . 2.75 109.136 -174.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 30.2 pt -111.89 143.21 22.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.181 -0.463 . . . . 1.33 111.517 -168.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' ARG . . . . . 0.698 ' HA ' ' O ' ' B' ' 85' ' ' THR . 0.1 OUTLIER -79.34 128.55 33.47 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.529 -0.76 . . . . 4.28 111.122 -177.872 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' ILE . . . . . 0.525 ' O ' ' HA ' ' B' ' 84' ' ' HIS . 45.9 pt -130.22 153.05 38.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.447 -0.797 . . . . 1.36 110.098 175.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . 0.447 ' HB2' ' HB ' ' B' ' 82' ' ' THR . 4.9 p-10 -83.0 103.47 12.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.523 0.677 . . . . 1.69 109.988 176.029 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 8.6 m -90.8 -31.32 16.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.323 -0.853 . . . . 2.65 112.059 -170.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . 0.452 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -150.07 155.3 39.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.683 -0.235 . . . . 1.64 110.618 -178.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' CYS . . . . . 0.533 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 42.0 t -107.75 108.87 20.27 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.29 -0.633 . . . . 1.6 109.29 176.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 17.6 m -109.28 159.0 8.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.044 -0.525 . . . . 1.53 110.424 -175.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 13.6 t -97.73 107.58 20.11 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.727 -0.842 . . . . 1.45 108.727 176.195 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . 0.466 ' O ' ' HA ' ' B' ' 78' ' ' SER . 27.2 m -93.33 153.58 3.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.295 -0.411 . . . . 2.0 110.795 -175.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . 0.601 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 98.3 mt -102.03 142.25 33.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.973 -0.558 . . . . 1.86 110.638 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 32.7 t -123.1 138.51 54.65 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.713 -0.847 . . . . 3.01 108.713 170.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -80.07 -3.66 49.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 7.45 111.948 -173.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt 57.48 36.09 26.59 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.938 -0.574 . . . . 4.91 111.172 178.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -79.85 152.15 29.84 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.04 -0.527 . . . . 4.74 111.044 -176.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 32.8 p -128.99 151.46 49.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.07 -0.513 . . . . 6.02 110.224 177.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.963 0 CA-C-O 119.216 -0.421 . . . . 9.38 110.941 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 . . . . . 0 CA--C 1.521 -0.145 0 N-CA-C 109.846 -0.428 . . . . 3.65 109.846 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.8 t -121.45 175.37 6.22 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.822 -0.351 . . . . 2.42 110.488 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.2 m -61.78 -28.04 43.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.133 0.492 . . . . 1.41 110.839 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.5 t -135.47 156.8 48.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.512 -0.767 . . . . 1.75 109.269 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -96.5 115.47 27.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.21 0.528 . . . . 2.87 110.585 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.6 p -112.66 148.98 33.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.6 -0.727 . . . . 1.72 110.795 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -123.7 117.7 51.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.327 -0.397 . . . . 1.51 110.127 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.464 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 8.1 t -103.58 116.72 32.89 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.766 -0.457 . . . . 1.66 109.766 -178.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.3 t -119.93 138.16 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.089 -0.505 . . . . 1.03 110.51 -177.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -90.76 95.19 10.01 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.126 -0.694 . . . . 1.61 109.126 174.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.3 t -88.1 129.37 39.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.169 -0.923 . . . . 0.96 110.908 -173.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -114.44 -16.01 7.9 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 110.941 -0.864 . . . . 1.27 110.941 173.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -89.22 21.89 3.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.949 0.404 . . . . 3.02 110.878 -176.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.566 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 40.1 tttp -76.38 111.64 12.04 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.623 -0.88 . . . . 1.32 108.623 176.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.471 ' O ' ' HA ' ' A' ' 37' ' ' THR . 9.1 t -97.98 -17.23 19.3 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.564 0.221 . . . . 1.82 111.595 -173.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 p -144.52 139.72 28.41 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.763 0.316 . . . . 1.01 111.145 -178.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.464 ' HB1' ' HB ' ' A' ' 102' ' ' ILE . . . -154.0 153.73 32.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.694 -0.685 . . . . 0.79 110.021 176.044 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.0 m -95.21 121.1 36.5 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.544 -0.298 . . . . 1.02 110.679 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.449 ' OD1' ' HB3' ' A' ' 100' ' ' ARG . 21.5 t70 -67.39 161.18 25.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.926 -0.579 . . . . 1.85 109.67 175.046 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.0 tt -59.8 -25.44 32.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.306 -0.406 . . . . 1.33 111.6 -176.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -82.52 -2.43 53.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.933 0.397 . . . . 2.22 110.835 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.84 25.23 25.52 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.966 -0.635 . . . . 1.25 112.188 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -99.31 119.04 37.28 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.496 -0.187 . . . . 2.14 110.496 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -78.82 113.44 16.91 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.588 -0.893 . . . . 2.19 108.588 176.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.7 m -122.48 157.12 27.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-O 121.281 0.562 . . . . 1.02 111.462 -172.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.499 ' HB ' HG23 ' A' ' 92' ' ' THR . 31.7 m -86.25 119.09 26.15 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 115.215 -0.902 . . . . 1.04 109.797 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.566 ' HB ' ' O ' ' A' ' 25' ' ' LYS . 41.7 t -89.6 138.99 18.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.696 -0.684 . . . . 1.1 110.625 -176.023 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 42.5 mt -100.28 137.41 38.74 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.956 -0.565 . . . . 1.91 109.48 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.11 -28.82 67.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.495 0.664 . . . . 2.18 110.19 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -129.51 140.09 51.35 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.994 -1.003 . . . . 3.59 109.136 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.429 HG12 ' HB3' ' A' ' 90' ' ' LEU . 33.6 m -89.49 115.48 29.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.578 0.704 . . . . 2.4 110.48 -177.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -102.95 99.35 9.24 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.303 -0.862 . . . . 3.25 109.434 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.6 mt -82.64 -81.09 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.862 -0.422 . . . . 2.77 109.862 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -124.81 -68.09 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.48 -0.563 . . . . 3.84 109.48 173.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -130.35 33.58 4.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.871 -0.604 . . . . 4.76 109.965 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.8 m -139.89 124.1 17.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.841 -0.618 . . . . 3.33 109.856 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 40.8 t -118.39 118.41 57.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.337 -0.392 . . . . 2.37 110.666 -179.296 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -120.81 136.12 54.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.429 -0.35 . . . . 4.13 110.645 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -80.51 105.73 11.98 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.932 -0.766 . . . . 4.84 108.932 175.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.572 ' HB2' ' CD ' ' B' ' 88' ' ' LYS . 28.9 pt20 -82.68 -55.25 4.55 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.375 0.509 . . . . 4.56 112.375 -170.406 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 64.01 161.12 0.11 Allowed 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.452 0.644 . . . . 2.46 111.819 -176.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -134.56 131.54 38.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.96 -0.564 . . . . 1.16 110.686 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -84.43 94.94 8.63 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.468 0.652 . . . . 3.56 110.023 177.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.524 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 19.5 mt-10 -101.17 112.45 24.94 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.929 -0.578 . . . . 1.49 110.054 -179.234 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 19' ' ' SER . 19.8 m -99.88 104.86 16.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.166 -0.925 . . . . 1.07 110.133 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -103.39 165.04 11.27 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.857 -0.611 . . . . 2.48 110.376 -175.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 70.6 m -87.79 119.26 27.95 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.94 -0.573 . . . . 1.73 110.232 177.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -69.38 -31.04 69.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.517 0.675 . . . . 3.48 109.654 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -144.41 135.7 25.44 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.978 -1.01 . . . . 2.58 109.104 176.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.9 p -78.9 -21.75 46.95 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.273 0.559 . . . . 2.76 110.007 177.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -146.86 95.77 4.44 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 114.984 -1.007 . . . . 2.59 109.042 176.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.72 -33.55 88.0 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.47 2.113 . . . . 2.57 111.843 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.2 m -122.21 154.4 26.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.075 -0.511 . . . . 2.53 109.733 174.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -77.67 67.45 3.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.026 0.441 . . . . 4.19 110.825 -176.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.413 ' HB2' ' CB ' ' A' ' 73' ' ' SER . 81.5 p -179.5 -33.29 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.246 -0.888 . . . . 3.9 109.932 -179.26 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 169.05 -112.11 0.46 Allowed Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.811 -0.631 . . . . 2.6 111.68 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 95.7 m -117.29 161.01 20.19 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.976 -0.379 . . . . 1.73 109.976 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 69' ' ' ARG . 31.7 mtm180 -68.97 132.2 46.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.428 -0.351 . . . . 3.94 110.902 -176.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.55 -28.68 8.03 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.043 -0.599 . . . . 1.61 112.671 178.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.3 mm -69.89 134.64 29.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.835 0.35 . . . . 1.65 111.405 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -68.74 95.09 0.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.148 -0.686 . . . . 3.32 109.148 172.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.611 ' HA ' ' O ' ' A' ' 76' ' ' TRP . 15.8 m -78.24 9.18 4.01 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.12 -0.491 . . . . 4.63 111.599 -172.506 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -90.87 -39.77 12.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.18 0.514 . . . . 3.06 109.983 176.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -100.56 -27.86 13.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.749 -0.66 . . . . 3.51 110.389 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.611 ' O ' ' HA ' ' A' ' 73' ' ' SER . 99.6 m95 -117.63 122.85 44.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.226 0.536 . . . . 3.17 111.227 -178.479 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -93.04 135.07 34.55 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.153 -1.054 . . . . 2.69 108.153 170.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.471 ' HA ' ' O ' ' A' ' 111' ' ' VAL . 1.4 m -132.38 149.36 52.37 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.709 -0.396 . . . . 1.93 111.339 -172.69 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.9 p90 -158.25 152.33 24.05 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.821 -0.627 . . . . 3.73 109.66 170.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.606 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 38.2 m -88.34 115.02 25.54 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.6 -0.727 . . . . 1.67 110.859 -176.268 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.6 m -103.77 127.69 51.22 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.638 -0.71 . . . . 2.24 109.81 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.7 m -85.15 115.72 23.1 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.009 -0.367 . . . . 2.78 110.009 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.6 p -81.96 134.01 35.35 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 120.978 0.418 . . . . 2.69 110.972 -175.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -104.17 136.7 43.3 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.981 -0.554 . . . . 3.71 110.333 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.633 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 11.7 t -132.48 163.18 29.38 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.421 -0.585 . . . . 1.48 109.421 177.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.453 ' HB3' ' HB3' ' A' ' 101' ' ' PHE . 91.6 m-85 -107.34 116.87 32.7 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.918 0.39 . . . . 1.75 110.07 -176.137 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 101' ' ' PHE . 22.1 m -109.41 139.04 33.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.342 0.591 . . . . 1.08 111.764 -175.114 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.561 ' CD ' ' HB2' ' B' ' 51' ' ' GLN . 10.0 pttp -67.13 103.47 1.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.706 -1.133 . . . . 3.82 111.359 177.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.87 151.83 50.01 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.354 -0.839 . . . . 1.13 110.7 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.429 ' HB3' HG12 ' A' ' 42' ' ' VAL . 23.1 tp -81.8 109.91 16.62 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.831 -0.803 . . . . 1.45 108.831 172.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 47.6 p -128.51 155.39 44.93 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.092 -0.504 . . . . 1.14 110.381 -175.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.499 HG23 ' HB ' ' A' ' 37' ' ' THR . 9.7 t -117.65 123.43 46.1 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.25 0.548 . . . . 1.32 110.152 178.488 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -74.59 -19.09 60.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.956 -0.566 . . . . 2.47 110.108 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -166.11 -73.0 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.769 -0.651 . . . . 3.09 109.617 177.38 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -136.33 25.6 3.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 3.29 110.836 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -134.92 106.63 6.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.246 -0.434 . . . . 2.74 110.639 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.82 119.39 18.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.153 -0.476 . . . . 1.44 110.239 177.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -140.82 150.99 44.0 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.098 -0.501 . . . . 1.38 110.577 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -77.23 111.05 12.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.021 -0.536 . . . . 2.35 110.485 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.449 ' HB3' ' OD1' ' A' ' 30' ' ' ASP . 42.7 mmt-85 -125.04 178.13 5.69 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.836 -0.62 . . . . 3.48 110.069 -178.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.453 ' HB3' ' HB3' ' A' ' 86' ' ' PHE . 77.3 m-85 -117.4 108.97 16.21 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.253 -0.647 . . . . 1.98 109.253 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.464 ' HB ' ' HB1' ' A' ' 28' ' ' ALA . 32.4 pt -111.78 144.29 19.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.25 0.548 . . . . 0.86 111.358 -171.196 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.633 ' HA ' ' O ' ' A' ' 85' ' ' THR . 16.1 ptt180 -74.85 119.88 19.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.299 -0.864 . . . . 3.71 111.639 -176.182 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 40.9 pt -122.91 160.6 25.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.167 -0.924 . . . . 0.83 109.137 171.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.524 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 61.3 m-20 -81.46 113.32 19.44 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.103 -0.703 . . . . 1.69 109.103 176.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.4 t -95.47 -31.28 13.43 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.742 -0.383 . . . . 2.29 111.827 -172.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -157.05 166.08 34.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.107 0.48 . . . . 1.14 111.684 -176.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.606 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 44.3 t -124.93 106.29 9.87 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.746 -0.835 . . . . 1.56 108.746 176.25 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 18.8 m -105.46 142.29 18.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.045 0.45 . . . . 1.07 111.262 -172.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.424 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 40.9 t -89.82 114.01 25.68 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.864 -0.791 . . . . 1.45 108.864 173.49 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.471 ' O ' ' HA ' ' A' ' 78' ' ' SER . 32.9 m -94.6 144.81 9.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 C-N-CA 120.697 -0.401 . . . . 1.52 110.213 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.55 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . 85.4 mt -113.24 138.8 49.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.059 -0.519 . . . . 1.67 110.333 -178.422 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.6 t -133.07 148.58 52.18 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.786 -0.643 . . . . 2.62 109.389 175.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 . . . . . 0 C--N 1.323 -0.568 0 C-N-CA 121.275 -0.17 . . . . 6.73 110.866 179.263 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 . . . . . 0 CA--C 1.52 -0.198 0 N-CA-C 109.841 -0.429 . . . . 3.65 109.841 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 20.8 t -121.9 175.32 6.37 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 120.933 -0.307 . . . . 2.42 110.362 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 31.1 m -61.84 -28.0 43.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.14 0.495 . . . . 1.41 110.857 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 49.3 t -135.44 156.62 48.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.519 -0.764 . . . . 1.75 109.356 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -96.18 115.52 27.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.031 0.443 . . . . 2.87 110.612 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 20.1 p -112.59 149.25 33.04 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.768 -0.651 . . . . 1.72 110.656 -178.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -123.88 117.6 51.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.242 -0.435 . . . . 1.51 110.203 177.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.47 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 8.1 t -103.38 116.65 32.82 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.849 -0.426 . . . . 1.66 109.849 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 60.5 t -119.78 138.16 51.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.247 -0.433 . . . . 1.03 110.645 -177.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 81.4 m95 -90.93 95.14 9.97 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.591 0.71 . . . . 1.61 109.09 174.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 48.5 t -88.21 129.48 39.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.111 -0.95 . . . . 0.96 110.898 -173.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -114.49 -16.29 7.7 Favored Glycine 0 N--CA 1.444 -0.796 0 N-CA-C 110.917 -0.873 . . . . 1.27 110.917 173.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -88.62 21.66 2.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 3.01 110.843 -176.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.557 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 40.2 tttp -76.14 111.51 11.63 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.747 -0.834 . . . . 1.32 108.747 176.716 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.481 ' O ' ' HA ' ' B' ' 37' ' ' THR . 9.5 t -97.82 -17.57 19.25 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 111.549 0.204 . . . . 1.82 111.549 -173.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.4 p -144.13 139.79 29.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.795 0.331 . . . . 1.0 111.17 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.484 ' HB1' ' HB ' ' B' ' 102' ' ' ILE . . . -153.85 153.51 32.23 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.846 -0.616 . . . . 0.79 110.052 176.12 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 3.0 m -95.17 120.99 36.34 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.572 -0.286 . . . . 1.01 110.757 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ASP . . . . . 0.468 ' OD1' ' HB3' ' B' ' 100' ' ' ARG . 21.4 t70 -67.3 160.89 26.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.902 -0.59 . . . . 1.84 109.742 175.013 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.7 tt -59.69 -25.33 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.25 -0.432 . . . . 1.33 111.599 -176.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -82.89 -1.47 52.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.866 0.365 . . . . 2.22 110.923 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.31 24.56 28.63 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.827 -0.702 . . . . 1.25 112.217 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -98.98 118.73 36.43 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.892 -0.181 . . . . 2.14 110.555 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 28.7 tp10 -78.6 113.47 16.66 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.602 -0.888 . . . . 2.19 108.602 176.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 28.1 m -122.47 157.1 27.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-O 121.206 0.527 . . . . 1.01 111.432 -172.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' THR . . . . . 0.488 ' HB ' HG23 ' B' ' 92' ' ' THR . 32.3 m -86.39 118.95 26.15 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.201 -0.908 . . . . 1.04 109.697 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.557 ' HB ' ' O ' ' B' ' 25' ' ' LYS . 41.9 t -89.58 138.72 18.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 115.72 -0.673 . . . . 1.1 110.59 -175.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 42.5 mt -100.0 137.61 38.21 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.881 -0.599 . . . . 1.91 109.63 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.15 -29.11 67.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.648 0.737 . . . . 2.18 110.361 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -129.09 140.06 51.74 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.744 -1.117 . . . . 3.59 109.204 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.418 HG12 ' HB3' ' B' ' 90' ' ' LEU . 33.7 m -89.52 115.56 29.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.654 0.74 . . . . 2.39 110.479 -177.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -102.83 99.34 9.28 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.29 -0.868 . . . . 3.25 109.336 177.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 62.2 mt -82.69 -81.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.81 -0.441 . . . . 2.77 109.81 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -124.68 -68.6 0.84 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.303 -0.629 . . . . 3.84 109.303 173.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -129.92 33.51 4.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.854 -0.612 . . . . 4.76 109.959 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 20.1 m -139.73 124.33 18.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.843 -0.617 . . . . 3.33 109.793 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 40.9 t -118.57 118.84 59.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.34 -0.391 . . . . 2.38 110.544 -179.247 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -121.47 135.91 55.0 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.577 -0.283 . . . . 4.13 110.546 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 66.6 mtm180 -80.26 105.72 11.73 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.994 -0.743 . . . . 4.84 108.994 175.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.561 ' HB2' ' CD ' ' A' ' 88' ' ' LYS . 29.0 pt20 -82.57 -55.06 4.69 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.523 0.564 . . . . 4.56 112.523 -170.556 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 63.81 161.27 0.1 Allowed 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.605 0.717 . . . . 2.45 111.767 -176.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -134.79 131.52 37.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.849 -0.614 . . . . 1.16 110.706 177.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -84.36 94.97 8.6 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.477 0.656 . . . . 3.56 109.983 177.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' GLU . . . . . 0.523 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 19.8 mt-10 -101.07 112.62 25.13 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.927 -0.578 . . . . 1.49 110.033 -179.315 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.47 ' HA ' ' HA ' ' B' ' 19' ' ' SER . 19.5 m -99.93 104.99 16.66 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.254 -0.884 . . . . 1.07 110.194 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -103.39 165.21 11.17 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.755 -0.657 . . . . 2.48 110.388 -175.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 72.9 m -87.74 119.47 28.1 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.991 -0.55 . . . . 1.73 109.987 177.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -69.61 -31.05 68.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.375 0.607 . . . . 3.49 109.555 176.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -144.35 135.58 25.41 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.031 -0.986 . . . . 2.58 109.226 176.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 14.1 p -78.82 -21.73 47.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.267 0.556 . . . . 2.76 110.027 178.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -146.75 95.5 4.52 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.036 -0.984 . . . . 2.59 109.145 176.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' PRO . . . . . 0.406 ' HG2' ' HA ' ' B' ' 68' ' ' CYS . 12.1 Cg_endo -55.66 -32.85 85.3 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.451 2.101 . . . . 2.57 111.972 -179.078 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 23.7 m -122.63 154.68 27.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.024 -0.535 . . . . 2.53 109.765 174.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -78.19 67.68 4.06 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.925 0.393 . . . . 4.2 110.649 -176.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' SER . . . . . 0.425 ' HB2' ' CB ' ' B' ' 73' ' ' SER . 83.0 p -179.69 -33.21 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.253 -0.885 . . . . 3.9 110.071 -179.243 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 169.06 -112.22 0.46 Allowed Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.912 -0.585 . . . . 2.6 111.677 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.406 ' HA ' ' HG2' ' B' ' 63' ' ' PRO . 95.3 m -117.19 160.93 20.28 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.955 -0.387 . . . . 1.74 109.955 177.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 31.5 mtm180 -68.88 131.99 46.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.527 -0.306 . . . . 3.95 110.83 -176.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.58 -27.8 9.22 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.973 -0.632 . . . . 1.6 112.531 178.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 47.4 mm -70.55 134.33 30.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.883 0.373 . . . . 1.65 111.439 -177.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -68.64 95.29 0.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.127 -0.694 . . . . 3.32 109.127 172.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' SER . . . . . 0.599 ' HA ' ' O ' ' B' ' 76' ' ' TRP . 15.8 m -78.24 9.34 3.88 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.126 -0.488 . . . . 4.63 111.659 -172.527 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -91.2 -39.39 12.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.013 0.435 . . . . 3.06 110.001 176.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -100.69 -27.57 13.3 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.945 -0.57 . . . . 3.51 110.577 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' TRP . . . . . 0.599 ' O ' ' HA ' ' B' ' 73' ' ' SER . 99.7 m95 -117.94 122.71 43.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.222 0.534 . . . . 3.17 111.197 -178.435 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -92.93 135.13 34.42 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.193 -1.039 . . . . 2.7 108.193 170.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.467 ' HA ' ' O ' ' B' ' 111' ' ' VAL . 1.4 m -132.53 149.15 52.37 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.899 0.38 . . . . 1.93 111.419 -172.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -158.11 152.4 24.41 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.841 -0.618 . . . . 3.73 109.62 170.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.615 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 38.0 m -88.32 115.21 25.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.589 -0.732 . . . . 1.67 110.857 -176.308 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 12.4 m -103.92 127.66 51.44 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.788 -0.642 . . . . 2.25 109.753 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.7 m -85.24 115.65 23.13 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 110.026 -0.361 . . . . 2.78 110.026 177.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 19.7 p -81.89 134.1 35.37 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 120.971 0.415 . . . . 2.69 111.088 -175.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -104.11 136.96 42.76 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.031 -0.531 . . . . 3.71 110.27 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.618 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 11.4 t -132.69 162.97 30.01 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.37 -0.604 . . . . 1.48 109.37 177.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.443 ' HB3' ' HB3' ' B' ' 101' ' ' PHE . 91.4 m-85 -107.11 116.98 32.88 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.893 0.377 . . . . 1.75 110.191 -176.263 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 21.4 m -109.56 139.04 34.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.452 0.644 . . . . 1.08 111.723 -175.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' LYS . . . . . 0.572 ' CD ' ' HB2' ' A' ' 51' ' ' GLN . 9.9 pttp -67.14 103.44 1.21 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.704 -1.134 . . . . 3.82 111.331 177.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.83 151.84 49.97 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.404 -0.816 . . . . 1.13 110.759 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 90' ' ' LEU . . . . . 0.418 ' HB3' HG12 ' B' ' 42' ' ' VAL . 23.1 tp -81.72 109.98 16.63 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.87 -0.789 . . . . 1.45 108.87 173.007 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 47.5 p -128.66 155.35 45.15 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.195 -0.457 . . . . 1.15 110.537 -175.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 92' ' ' THR . . . . . 0.488 HG23 ' HB ' ' B' ' 37' ' ' THR . 9.8 t -117.61 123.38 46.02 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.227 0.537 . . . . 1.32 110.087 178.662 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -74.4 -19.51 60.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.015 -0.538 . . . . 2.46 110.184 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -165.75 -73.31 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.607 -0.724 . . . . 3.09 109.702 177.534 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -136.0 25.4 3.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.771 0.32 . . . . 3.3 110.972 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -134.77 106.46 6.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.306 -0.406 . . . . 2.74 110.752 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.46 119.77 19.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.076 -0.511 . . . . 1.44 110.214 177.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -141.04 150.91 43.58 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.211 -0.45 . . . . 1.39 110.62 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -77.27 111.3 12.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.987 -0.551 . . . . 2.35 110.464 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 100' ' ' ARG . . . . . 0.468 ' HB3' ' OD1' ' B' ' 30' ' ' ASP . 42.5 mmt-85 -125.25 178.17 5.73 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.757 -0.656 . . . . 3.48 110.167 -178.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.443 ' HB3' ' HB3' ' B' ' 86' ' ' PHE . 78.0 m-85 -117.52 108.94 16.11 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.181 -0.674 . . . . 1.98 109.181 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 102' ' ' ILE . . . . . 0.484 ' HB ' ' HB1' ' B' ' 28' ' ' ALA . 32.9 pt -111.66 144.28 19.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.138 0.494 . . . . 0.86 111.339 -171.262 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 103' ' ' ARG . . . . . 0.618 ' HA ' ' O ' ' B' ' 85' ' ' THR . 16.1 ptt180 -74.91 119.83 19.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.422 -0.808 . . . . 3.72 111.673 -176.171 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 41.3 pt -122.9 160.32 25.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.261 -0.882 . . . . 0.83 109.13 171.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 105' ' ' ASP . . . . . 0.523 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 61.1 m-20 -81.14 113.3 19.21 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.159 -0.682 . . . . 1.69 109.159 176.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 6.4 t -95.44 -31.39 13.4 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.861 -0.336 . . . . 2.29 111.777 -172.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -157.01 166.2 34.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.165 0.507 . . . . 1.15 111.644 -176.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 108' ' ' CYS . . . . . 0.615 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 44.2 t -124.98 106.28 9.84 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.728 -0.841 . . . . 1.56 108.728 176.263 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 18.9 m -105.47 142.37 18.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.04 0.448 . . . . 1.08 111.192 -172.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.429 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 40.6 t -89.94 113.93 25.66 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.879 -0.786 . . . . 1.45 108.879 173.473 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' B' ' 78' ' ' SER . 32.8 m -94.51 144.8 9.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 C-N-CA 120.711 -0.396 . . . . 1.52 110.179 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.559 ' HB3' ' CE3' ' B' ' 76' ' ' TRP . 85.4 mt -113.28 138.73 49.58 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.006 -0.543 . . . . 1.67 110.396 -178.479 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 42.1 t -133.07 148.37 52.19 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.166 -0.679 . . . . 2.62 109.166 175.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 . . . . . 0 C--N 1.325 -0.498 0 C-N-CA 121.202 -0.199 . . . . 6.72 110.872 179.181 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.492 ' HB2' ' O ' ' B' ' 112' ' ' LEU . 89.5 m-85 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.636 -0.505 . . . . 3.65 109.636 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.6 t -58.22 128.87 39.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.733 -0.667 . . . . 2.42 110.507 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.417 HG12 ' HG ' ' B' ' 112' ' ' LEU . 17.3 m -58.96 -32.74 48.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 CA-C-N 115.52 -0.764 . . . . 1.41 111.132 178.163 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.1 t -112.07 139.17 47.81 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.184 -0.462 . . . . 1.75 110.704 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -88.22 117.4 27.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.178 0.513 . . . . 2.87 109.677 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.8 p -130.81 164.05 26.03 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.019 -0.537 . . . . 1.72 110.859 -176.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 56' ' ' THR . 2.5 p -108.79 114.63 47.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.958 -0.565 . . . . 1.51 109.595 176.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 21.6 t -112.33 105.51 13.81 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.923 -0.581 . . . . 1.66 109.915 -176.695 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.4 t -128.15 141.8 45.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.965 -0.561 . . . . 1.03 110.85 -175.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.444 ' HA ' ' O ' ' A' ' 53' ' ' PHE . 83.7 m95 -85.64 95.55 9.39 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.589 -0.893 . . . . 1.61 108.589 171.018 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 81.7 t -90.76 118.04 35.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.272 -0.877 . . . . 0.96 111.222 -172.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.02 15.39 40.07 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.859 -0.686 . . . . 1.27 111.433 177.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -122.36 20.25 10.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.728 0.299 . . . . 3.02 110.931 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.449 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 84.1 tttt -78.25 101.68 7.25 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.254 -0.647 . . . . 1.32 109.254 177.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -93.13 -12.39 30.53 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.16 -0.473 . . . . 1.82 112.199 -171.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.6 p -134.84 132.64 38.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.098 0.475 . . . . 1.01 111.285 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.51 155.97 42.39 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.115 -0.493 . . . . 0.79 110.541 177.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.5 m -98.02 123.79 42.2 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.293 -0.412 . . . . 1.02 111.428 -177.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.456 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 13.0 t70 -65.76 158.63 27.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.637 -0.71 . . . . 1.85 109.234 174.079 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.403 ' HA ' ' CE2' ' A' ' 86' ' ' PHE . 16.5 tt -59.05 -18.86 14.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.985 -0.552 . . . . 1.33 111.932 -176.577 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -87.17 -11.19 50.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.81 0.338 . . . . 2.22 111.142 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.54 18.7 15.52 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.682 -0.77 . . . . 1.25 112.827 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -99.41 122.18 42.17 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.79 -0.241 . . . . 2.14 110.64 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -83.79 115.22 22.12 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.08 0.467 . . . . 2.19 109.821 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.5 m -118.09 161.42 17.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.799 -0.637 . . . . 1.02 111.166 -174.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.476 ' HB ' HG23 ' A' ' 92' ' ' THR . 17.8 m -87.22 116.95 25.65 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.274 -0.875 . . . . 1.04 110.074 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.508 ' HA ' HG22 ' A' ' 91' ' ' THR . 43.3 t -85.68 136.53 22.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.992 -0.549 . . . . 1.1 110.953 -175.152 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.4 mt -92.21 127.48 37.7 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.906 -0.775 . . . . 1.91 108.906 174.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.46 -9.32 58.47 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.138 0.422 . . . . 2.18 112.138 -171.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -140.0 113.1 8.25 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.567 0.698 . . . . 3.59 112.261 -177.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 p -155.34 96.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.127 -0.942 . . . . 2.4 109.42 169.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.492 ' H ' HG13 ' A' ' 48' ' ' VAL . 65.4 m-80 -144.03 116.43 8.55 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.791 -0.641 . . . . 3.25 110.931 -178.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 74.1 mt 70.42 132.78 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-O 121.551 0.691 . . . . 2.77 112.166 172.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -86.33 62.74 7.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.355 0.597 . . . . 3.84 109.872 176.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -167.33 -54.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.437 -0.801 . . . . 4.76 109.817 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.9 t -136.91 113.82 10.47 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.105 -0.702 . . . . 3.33 109.105 174.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.492 HG13 ' H ' ' A' ' 43' ' ' ASN . 82.0 t -99.66 116.73 43.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.159 -0.473 . . . . 2.37 111.632 -172.5 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -111.52 174.85 5.67 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.845 -0.616 . . . . 4.13 109.94 173.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -84.74 160.65 20.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.036 0.446 . . . . 4.84 111.196 -176.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.42 ' HB3' HD21 ' A' ' 43' ' ' ASN . 13.6 pt20 -128.21 165.3 20.72 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.862 -0.608 . . . . 4.56 110.545 -178.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -124.79 151.22 45.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.107 -0.497 . . . . 2.46 109.996 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.444 ' O ' ' HA ' ' A' ' 21' ' ' TRP . 85.0 m-85 -107.15 143.6 35.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.217 -0.447 . . . . 1.16 110.033 176.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -84.14 94.72 8.42 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.711 -0.478 . . . . 3.56 109.711 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.475 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 2.9 mm-40 -106.45 106.45 16.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.009 -0.541 . . . . 1.49 110.688 -176.465 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 29.4 m -111.73 99.08 7.86 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.796 -0.638 . . . . 1.07 109.717 177.074 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.4 ' HB2' ' HE3' ' A' ' 57' ' ' LYS . 38.0 ttmt -105.02 139.43 39.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.099 -0.5 . . . . 2.48 111.113 -173.033 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 66.0 m -74.75 110.83 9.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.611 -0.722 . . . . 1.73 110.624 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -102.52 6.07 39.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.988 -0.551 . . . . 3.48 110.751 -177.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -145.85 144.31 30.16 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.555 -0.748 . . . . 2.58 109.313 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.9 m -158.49 39.08 0.24 Allowed 'General case' 0 C--O 1.234 0.283 0 N-CA-C 111.858 0.318 . . . . 2.76 111.858 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.532 ' OD1' ' HB2' ' A' ' 66' ' ' SER . 3.1 p-10 -112.08 124.24 32.64 Favored Pre-proline 0 C--N 1.326 -0.453 0 C-N-CA 120.573 -0.451 . . . . 2.59 110.146 176.186 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.466 ' HA ' ' OG ' ' A' ' 78' ' ' SER . 37.2 Cg_exo -21.99 -64.16 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.713 1 C-N-CA 126.173 4.582 . . . . 2.57 116.706 -164.462 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.521 HG23 ' H ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER -95.91 -92.75 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 113.603 0.964 . . . . 2.53 113.603 -168.879 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.521 ' H ' HG23 ' A' ' 64' ' ' VAL . 10.5 pt-20 -49.74 -38.45 33.63 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 113.429 0.9 . . . . 4.19 113.429 -169.126 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.532 ' HB2' ' OD1' ' A' ' 62' ' ' ASN . 14.8 m -128.58 48.46 2.31 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.515 0.674 . . . . 3.9 109.847 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -138.25 -84.77 0.13 Allowed Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.195 -0.911 . . . . 2.6 111.029 177.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.481 ' SG ' ' HB2' ' A' ' 78' ' ' SER . 84.9 m -134.74 -25.4 1.44 Allowed 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.893 -0.323 . . . . 1.73 111.202 176.488 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 67.81 151.19 0.07 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.014 0.526 . . . . 3.94 111.323 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 77.24 -38.78 1.61 Allowed Glycine 0 CA--C 1.52 0.395 0 C-N-CA 121.018 -0.611 . . . . 1.61 112.834 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.4 mm -55.62 134.53 19.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 123.036 0.534 . . . . 1.65 111.324 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -76.19 114.86 15.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.985 -0.552 . . . . 3.32 110.155 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.3 p -79.67 -6.77 57.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.948 0.404 . . . . 4.63 111.66 -175.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -79.48 -47.62 15.32 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.58 -0.282 . . . . 3.06 110.374 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -96.73 -28.27 14.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.175 -0.466 . . . . 3.51 111.228 -178.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -121.54 157.43 30.72 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.437 0.637 . . . . 3.17 111.215 -176.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -124.9 133.16 53.17 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.319 -0.993 . . . . 2.69 108.319 169.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.481 ' HB2' ' SG ' ' A' ' 68' ' ' CYS . 2.1 p -104.17 133.86 48.39 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.103 0.478 . . . . 1.93 110.861 -177.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.464 ' O ' HG22 ' A' ' 111' ' ' VAL . 72.0 t80 -140.58 140.38 35.13 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.777 -0.647 . . . . 3.73 110.021 -178.14 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.502 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 66.8 m -95.14 119.06 32.99 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.266 -0.425 . . . . 1.67 110.207 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.1 m -110.37 131.89 54.66 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.36 -0.382 . . . . 2.24 110.611 -178.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.5 103.25 13.48 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 121.09 0.471 . . . . 2.78 111.22 177.089 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.0 m -76.35 130.52 38.2 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 109.229 -0.656 . . . . 2.69 109.229 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.503 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 64.5 m-70 -105.03 134.09 48.71 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.468 -0.333 . . . . 3.71 110.399 -176.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.649 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 3.0 t -108.8 162.79 13.85 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.899 -0.778 . . . . 1.48 108.899 175.443 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' A' ' 103' ' ' ARG . 97.3 m-85 -109.27 116.07 31.2 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.051 0.453 . . . . 1.75 110.598 -176.532 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.2 m -110.8 138.42 39.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.636 -0.711 . . . . 1.08 109.976 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.5 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 13.8 pttp -88.8 107.73 19.13 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.553 0.692 . . . . 3.82 110.575 -179.088 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.61 153.93 46.75 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.326 -0.852 . . . . 1.13 110.333 -177.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.4 ' HG ' ' HB1' ' A' ' 97' ' ' ALA . 19.4 tp -75.14 104.92 5.9 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.45 -0.574 . . . . 1.45 109.45 177.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.508 HG22 ' HA ' ' A' ' 38' ' ' VAL . 52.3 p -123.05 157.79 32.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.288 -0.415 . . . . 1.14 110.056 -178.14 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.476 HG23 ' HB ' ' A' ' 37' ' ' THR . 8.8 t -112.63 125.84 54.72 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.334 0.588 . . . . 1.32 110.375 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -68.06 -33.84 75.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.455 -0.793 . . . . 2.47 109.895 178.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -169.52 -40.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.676 -0.693 . . . . 3.09 110.355 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -131.85 -67.37 0.68 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.481 . . . . 3.29 110.644 -178.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -73.45 139.49 45.84 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.981 -0.554 . . . . 2.74 111.039 -177.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.4 ' HB1' ' HG ' ' A' ' 90' ' ' LEU . . . -95.98 131.06 42.75 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.727 -0.669 . . . . 1.44 110.087 178.7 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.94 150.66 40.04 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.401 -0.363 . . . . 1.38 110.432 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -69.7 109.7 4.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.106 -0.497 . . . . 2.35 110.292 177.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.5 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 34.2 mmt180 -113.82 153.06 29.77 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.092 -0.504 . . . . 3.48 109.871 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.456 ' O ' ' HA ' ' A' ' 30' ' ' ASP . 86.3 m-85 -92.37 103.58 16.01 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.927 -0.768 . . . . 1.98 108.927 174.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 30.6 pt -112.17 143.33 22.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.168 0.508 . . . . 0.86 110.756 -172.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.649 ' HA ' ' O ' ' A' ' 85' ' ' THR . 38.1 ptt180 -85.51 133.55 34.08 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.681 -0.69 . . . . 3.71 111.382 -175.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.503 ' O ' ' HA ' ' A' ' 84' ' ' HIS . 40.8 pt -122.61 152.84 27.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 CA-C-N 115.482 -0.781 . . . . 0.83 109.991 175.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.475 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 4.7 m-20 -72.51 100.75 2.8 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 108.628 -0.879 . . . . 1.69 108.628 178.027 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.23 -46.77 5.71 Favored 'General case' 0 C--N 1.315 -0.933 0 C-N-CA 120.605 -0.438 . . . . 2.29 112.069 -168.041 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -132.81 141.72 48.62 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.895 0.379 . . . . 1.14 111.239 -174.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.502 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 45.9 t -107.37 98.76 8.35 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.467 -0.938 . . . . 1.56 108.467 174.169 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 32.4 m -99.12 143.67 13.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.117 -0.492 . . . . 1.07 111.559 -171.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 35.1 t -86.7 113.25 22.4 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.777 -0.647 . . . . 1.45 109.423 174.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 79' ' ' TYR . 23.6 m -108.35 145.63 15.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.168 -0.469 . . . . 1.52 109.866 178.329 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.436 ' O ' ' HB2' ' B' ' 12' ' ' PHE . 67.7 mt -106.66 138.18 43.31 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.216 0.532 . . . . 1.67 110.705 178.238 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.3 t -114.95 138.78 50.43 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 108.721 -0.844 . . . . 2.62 108.721 173.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 . . . . . 0 C--N 1.326 -0.419 0 CA-C-O 121.187 0.518 . . . . 6.73 109.974 -179.2 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 12' ' ' PHE . . . . . 0.436 ' HB2' ' O ' ' A' ' 112' ' ' LEU . 89.6 m-85 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.606 -0.516 . . . . 3.65 109.606 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 48.4 t -58.29 128.97 39.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.725 -0.671 . . . . 2.42 110.346 -179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.4 m -58.9 -32.96 48.4 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.172 0 CA-C-N 115.707 -0.679 . . . . 1.41 111.193 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 50.7 t -111.9 138.99 47.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.219 -0.446 . . . . 1.75 110.639 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -87.84 117.36 26.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.081 -0.509 . . . . 2.87 109.696 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.4 p -130.82 164.19 25.73 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.055 -0.521 . . . . 1.72 110.642 -176.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' B' ' 56' ' ' THR . 2.5 p -108.86 114.65 47.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.558 -0.534 . . . . 1.51 109.558 176.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.411 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 20.9 t -112.27 105.93 14.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.931 -0.577 . . . . 1.66 109.871 -176.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 91.4 t -128.45 141.39 46.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.806 -0.634 . . . . 1.03 110.964 -175.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' TRP . . . . . 0.441 ' HA ' ' O ' ' B' ' 53' ' ' PHE . 84.4 m95 -85.1 95.41 9.11 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.769 -0.826 . . . . 1.61 108.769 170.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 82.5 t -90.77 117.89 34.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.237 -0.892 . . . . 0.96 111.224 -172.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.04 15.04 40.34 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.781 -0.723 . . . . 1.27 111.463 177.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -122.1 20.79 10.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.718 0.295 . . . . 3.01 110.872 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.448 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 84.2 tttt -78.55 102.34 7.87 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.181 -0.674 . . . . 1.32 109.181 177.695 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 9.9 t -94.05 -12.43 28.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.227 -0.442 . . . . 1.82 112.123 -171.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 6.6 p -134.6 132.57 39.19 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.87 0.367 . . . . 1.0 111.344 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.4 ' HB1' ' HB ' ' B' ' 102' ' ' ILE . . . -147.49 156.11 42.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.126 -0.488 . . . . 0.79 110.539 177.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 23.4 m -98.21 123.88 42.5 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.377 -0.374 . . . . 1.01 111.376 -177.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ASP . . . . . 0.451 ' HA ' ' O ' ' B' ' 101' ' ' PHE . 11.9 t70 -65.66 158.82 26.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.637 -0.711 . . . . 1.84 109.155 174.064 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 16.4 tt -59.47 -18.29 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.855 -0.612 . . . . 1.33 111.91 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 39.3 mttp -87.77 -10.67 50.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.816 0.341 . . . . 2.22 111.18 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.06 18.46 17.37 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.642 -0.789 . . . . 1.25 112.728 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -99.13 122.34 42.22 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.865 -0.197 . . . . 2.14 110.642 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -83.86 115.3 22.19 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.08 0.467 . . . . 2.19 109.79 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 m -118.2 161.59 16.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.649 -0.705 . . . . 1.01 111.274 -174.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' THR . . . . . 0.464 ' HB ' HG23 ' B' ' 92' ' ' THR . 18.6 m -87.69 116.56 25.92 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.365 -0.834 . . . . 1.04 110.023 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.515 ' HA ' HG22 ' B' ' 91' ' ' THR . 42.7 t -85.43 136.32 23.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.877 -0.601 . . . . 1.1 111.086 -175.055 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 68.1 mt -92.03 127.39 37.48 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.895 -0.78 . . . . 1.91 108.895 175.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.25 -9.24 58.38 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.176 0.435 . . . . 2.18 112.176 -171.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -140.01 113.09 8.24 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 121.654 0.74 . . . . 3.59 112.236 -177.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 p -155.4 96.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.161 -0.927 . . . . 2.39 109.308 169.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.51 ' H ' HG13 ' B' ' 48' ' ' VAL . 65.3 m-80 -144.13 116.14 8.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.876 -0.602 . . . . 3.25 110.948 -178.586 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 74.0 mt 70.47 132.81 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 121.589 0.709 . . . . 2.77 112.214 172.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -85.96 62.21 7.31 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.168 0.508 . . . . 3.84 110.0 176.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -166.72 -55.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.596 -0.729 . . . . 4.76 109.645 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 23.0 t -136.5 113.88 10.83 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.111 -0.7 . . . . 3.33 109.111 174.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.51 HG13 ' H ' ' B' ' 43' ' ' ASN . 84.5 t -99.65 116.81 43.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.201 -0.454 . . . . 2.38 111.706 -172.506 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -111.66 174.86 5.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.912 -0.585 . . . . 4.13 109.786 173.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -84.88 160.47 20.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.023 0.44 . . . . 4.84 111.262 -176.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.424 ' HB3' HD21 ' B' ' 43' ' ' ASN . 13.6 pt20 -128.03 165.0 21.15 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.757 -0.656 . . . . 4.56 110.605 -178.49 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -124.57 151.08 45.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.167 -0.47 . . . . 2.45 110.196 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' PHE . . . . . 0.441 ' O ' ' HA ' ' B' ' 21' ' ' TRP . 84.9 m-85 -107.04 143.76 34.68 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.122 -0.49 . . . . 1.16 110.016 176.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -84.38 94.9 8.59 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.692 -0.485 . . . . 3.56 109.692 -178.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' GLU . . . . . 0.458 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 2.9 mm-40 -106.75 106.34 16.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 1.49 110.571 -176.177 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.444 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 30.0 m -111.82 98.95 7.75 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.873 -0.603 . . . . 1.07 109.694 177.188 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -104.91 139.12 40.11 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.144 0.497 . . . . 2.48 111.226 -172.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 66.0 m -74.34 111.1 9.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.689 -0.687 . . . . 1.73 110.603 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -103.02 6.16 38.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.969 -0.559 . . . . 3.49 110.503 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -145.88 144.35 30.15 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.809 -0.632 . . . . 2.58 109.454 178.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 70.1 m -158.32 38.48 0.25 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.947 0.351 . . . . 2.76 111.947 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ASN . . . . . 0.543 ' OD1' ' HB2' ' B' ' 66' ' ' SER . 3.1 p-10 -111.85 124.26 32.74 Favored Pre-proline 0 C--N 1.326 -0.419 0 C-N-CA 120.351 -0.54 . . . . 2.59 110.192 176.354 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 63' ' ' PRO . . . . . 0.462 ' HA ' ' OG ' ' B' ' 78' ' ' SER . 36.4 Cg_exo -21.85 -64.47 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.692 1 C-N-CA 126.137 4.558 . . . . 2.57 116.706 -164.479 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 64' ' ' VAL . . . . . 0.529 HG23 ' H ' ' B' ' 65' ' ' GLU . 0.4 OUTLIER -95.46 -92.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 113.641 0.978 . . . . 2.53 113.641 -169.013 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 65' ' ' GLU . . . . . 0.529 ' H ' HG23 ' B' ' 64' ' ' VAL . 10.6 pt-20 -49.49 -38.85 31.69 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.292 0.849 . . . . 4.2 113.292 -169.183 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' SER . . . . . 0.543 ' HB2' ' OD1' ' B' ' 62' ' ' ASN . 14.2 m -128.46 48.15 2.35 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.563 0.696 . . . . 3.9 109.757 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -137.94 -85.02 0.14 Allowed Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.102 -0.954 . . . . 2.6 110.963 177.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.475 ' SG ' ' HB2' ' B' ' 78' ' ' SER . 84.0 m -134.49 -25.24 1.51 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.864 -0.334 . . . . 1.74 111.312 176.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 67.77 151.16 0.07 Allowed 'General case' 0 N--CA 1.472 0.626 0 O-C-N 123.557 0.535 . . . . 3.95 111.285 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 77.12 -38.37 1.57 Allowed Glycine 0 CA--C 1.519 0.311 0 C-N-CA 121.02 -0.61 . . . . 1.6 112.876 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 48.7 mm -55.76 135.21 19.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 122.958 0.503 . . . . 1.65 111.371 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -76.75 114.26 15.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.908 -0.587 . . . . 3.32 110.072 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 29.1 p -79.01 -7.07 57.79 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.162 -0.472 . . . . 4.63 111.759 -175.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -79.46 -47.49 15.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.985 0.421 . . . . 3.06 110.24 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -96.72 -28.59 14.23 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.041 -0.527 . . . . 3.51 111.224 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -121.08 157.41 30.12 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.329 0.585 . . . . 3.17 111.29 -176.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -124.77 133.17 53.24 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.285 -1.006 . . . . 2.7 108.285 169.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.475 ' HB2' ' SG ' ' B' ' 68' ' ' CYS . 2.0 p -104.24 134.1 48.05 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.104 0.478 . . . . 1.93 110.887 -177.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 79' ' ' TYR . . . . . 0.457 ' O ' HG22 ' B' ' 111' ' ' VAL . 73.2 t80 -140.91 140.34 34.49 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.618 -0.719 . . . . 3.73 110.04 -178.129 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.496 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 67.0 m -95.2 118.98 32.93 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.211 -0.45 . . . . 1.67 110.224 179.347 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 22.5 m -110.39 131.99 54.57 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.341 -0.391 . . . . 2.25 110.624 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.55 103.06 13.35 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.085 -0.507 . . . . 2.78 111.287 177.09 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 9.5 m -76.26 130.43 38.15 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 109.385 -0.598 . . . . 2.69 109.385 176.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' HIS . . . . . 0.493 ' HA ' ' O ' ' B' ' 104' ' ' ILE . 65.8 m-70 -105.04 133.91 49.02 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.398 -0.365 . . . . 3.71 110.464 -176.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.637 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 3.1 t -108.88 162.7 13.95 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.9 -0.778 . . . . 1.48 108.9 175.529 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.495 ' CE2' ' HB3' ' B' ' 103' ' ' ARG . 97.2 m-85 -109.15 115.94 30.99 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.095 0.474 . . . . 1.75 110.594 -176.498 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 27.3 m -110.76 138.51 38.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.662 -0.699 . . . . 1.08 109.94 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' LYS . . . . . 0.501 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 13.9 pttp -88.89 107.67 19.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.519 0.676 . . . . 3.82 110.511 -179.006 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.58 153.89 46.76 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.248 -0.887 . . . . 1.13 110.382 -177.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 19.1 tp -75.04 105.0 5.84 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.521 -0.548 . . . . 1.45 109.521 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 91' ' ' THR . . . . . 0.515 HG22 ' HA ' ' B' ' 38' ' ' VAL . 55.6 p -123.2 157.71 32.43 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.294 -0.412 . . . . 1.15 109.973 -178.132 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 92' ' ' THR . . . . . 0.464 HG23 ' HB ' ' B' ' 37' ' ' THR . 8.6 t -112.66 125.8 54.69 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.512 0.673 . . . . 1.32 110.413 -179.51 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -67.97 -33.87 75.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.395 -0.821 . . . . 2.46 110.004 178.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -169.78 -40.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.599 -0.728 . . . . 3.09 110.394 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -132.17 -67.93 0.64 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.213 -0.449 . . . . 3.3 110.533 -178.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -72.82 139.7 47.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.954 -0.566 . . . . 2.74 111.137 -178.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.54 130.85 43.64 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.658 -0.701 . . . . 1.44 110.176 178.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.65 150.84 40.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.395 -0.366 . . . . 1.39 110.525 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -69.83 110.01 4.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.139 -0.482 . . . . 2.35 110.198 177.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 100' ' ' ARG . . . . . 0.501 ' O ' ' HA ' ' B' ' 88' ' ' LYS . 34.0 mmt180 -114.06 153.3 29.68 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.961 -0.563 . . . . 3.48 109.806 179.291 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.451 ' O ' ' HA ' ' B' ' 30' ' ' ASP . 86.1 m-85 -92.66 103.51 15.88 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.891 -0.781 . . . . 1.98 108.891 174.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 102' ' ' ILE . . . . . 0.4 ' HB ' ' HB1' ' B' ' 28' ' ' ALA . 30.0 pt -112.13 143.4 21.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.136 0.493 . . . . 0.86 110.7 -172.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 103' ' ' ARG . . . . . 0.637 ' HA ' ' O ' ' B' ' 85' ' ' THR . 38.2 ptt180 -85.62 133.52 34.04 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.661 -0.699 . . . . 3.72 111.369 -175.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 104' ' ' ILE . . . . . 0.493 ' O ' ' HA ' ' B' ' 84' ' ' HIS . 40.9 pt -122.63 152.77 27.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.462 -0.79 . . . . 0.83 109.949 175.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 105' ' ' ASP . . . . . 0.458 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 4.5 m-20 -72.42 100.73 2.75 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 108.782 -0.821 . . . . 1.69 108.782 177.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.21 -46.69 5.74 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 120.681 -0.407 . . . . 2.29 111.989 -167.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -133.06 141.44 48.23 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.935 0.397 . . . . 1.15 111.333 -174.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 108' ' ' CYS . . . . . 0.496 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 46.0 t -107.29 98.58 8.19 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.554 -0.906 . . . . 1.56 108.554 174.209 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 32.5 m -98.96 143.75 12.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.976 -0.556 . . . . 1.08 111.596 -171.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 35.3 t -86.73 113.23 22.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.798 -0.637 . . . . 1.45 109.479 174.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.457 HG22 ' O ' ' B' ' 79' ' ' TYR . 23.0 m -108.28 145.58 15.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.148 -0.478 . . . . 1.52 109.97 178.228 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.492 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 67.7 mt -106.7 138.26 43.2 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.331 0.586 . . . . 1.67 110.613 178.228 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 40.1 t -115.15 138.35 51.0 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.299 -0.864 . . . . 2.62 108.692 173.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 . . . . . 0 C--N 1.325 -0.486 0 CA-C-O 121.229 0.537 . . . . 6.72 110.143 -179.417 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 121.224 0.535 . . . . 3.65 110.016 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.4 m -83.18 150.41 26.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.474 -0.785 . . . . 2.42 110.765 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.0 m -59.74 -36.99 69.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 121.132 0.491 . . . . 1.41 111.016 174.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.444 ' HA ' ' HG3' ' A' ' 63' ' ' PRO . 45.1 t -122.76 151.99 41.06 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.615 -0.513 . . . . 1.75 109.615 176.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -88.41 114.2 24.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.199 0.523 . . . . 2.87 110.431 -175.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.415 ' OG ' ' HB3' ' A' ' 108' ' ' CYS . 25.4 m -105.6 154.25 20.67 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.708 -0.678 . . . . 1.72 110.56 -177.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 56' ' ' THR . 4.2 p -120.62 114.32 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.022 0.439 . . . . 1.51 110.602 174.306 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.1 m -97.41 116.83 30.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.264 -0.426 . . . . 1.66 110.454 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.7 t -119.36 138.09 51.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.185 -0.462 . . . . 1.03 110.696 -178.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -102.76 96.32 6.78 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.137 -0.69 . . . . 1.61 109.137 173.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.5 t -77.46 123.07 33.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.386 -0.824 . . . . 0.96 110.618 -175.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.86 -11.54 54.77 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.568 -0.825 . . . . 1.27 111.73 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -138.82 79.46 1.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.159 0.504 . . . . 3.02 110.461 -178.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -97.95 136.7 37.86 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.89 -0.781 . . . . 1.32 108.89 175.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.9 t -111.48 -27.08 8.75 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.662 0.616 . . . . 1.82 112.662 -173.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.2 p -137.24 142.6 42.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.04 0.448 . . . . 1.01 111.895 -178.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.438 ' HB1' ' HB ' ' A' ' 102' ' ' ILE . . . -150.84 171.34 17.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.748 -0.66 . . . . 0.79 110.109 175.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.3 m -117.87 121.2 40.11 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.602 0.239 . . . . 1.02 110.392 177.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.462 ' OD2' ' HB3' ' A' ' 100' ' ' ARG . 17.5 t70 -74.19 163.67 27.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.944 -0.571 . . . . 1.85 110.029 178.692 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.9 tt -63.93 -21.31 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.34 -0.391 . . . . 1.33 111.261 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -75.39 -13.13 60.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.028 0.442 . . . . 2.22 110.61 176.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.9 18.37 34.77 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 111.486 -0.646 . . . . 1.25 111.486 -178.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -92.12 134.86 34.46 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.678 0.275 . . . . 2.14 110.93 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -84.2 114.32 21.72 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.528 -0.915 . . . . 2.19 108.528 172.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.4 m -115.58 149.79 17.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-O 121.196 0.522 . . . . 1.02 111.342 -172.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.46 ' HB ' ' CG2' ' A' ' 92' ' ' THR . 30.4 m -85.83 115.81 23.7 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.209 -0.905 . . . . 1.04 109.239 175.381 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.558 ' HA ' HG22 ' A' ' 91' ' ' THR . 46.6 t -81.79 139.8 17.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.105 -0.498 . . . . 1.1 110.203 -178.042 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 66.8 mt -96.88 121.78 39.12 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.537 -0.542 . . . . 1.91 109.537 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.26 -39.3 92.45 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.317 0.58 . . . . 2.18 109.457 177.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -106.45 114.84 29.2 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.154 -0.93 . . . . 3.59 108.793 175.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 49' ' ' PHE . 31.0 m -90.59 121.78 41.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.366 0.603 . . . . 2.4 110.203 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -92.72 102.6 15.01 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.639 -0.71 . . . . 3.25 110.369 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.7 mt -100.2 62.35 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 108.921 -0.77 . . . . 2.77 108.921 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 67.27 -79.43 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.035 -0.984 . . . . 3.84 111.369 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -103.67 -10.46 18.36 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.891 0.33 . . . . 4.76 111.891 -175.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.7 t -122.8 115.68 22.43 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.885 0.374 . . . . 3.33 110.477 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 23.0 t -115.51 122.04 68.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.008 -0.542 . . . . 2.37 109.606 177.621 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.486 ' O ' HG22 ' A' ' 42' ' ' VAL . 43.9 p90 -163.13 171.35 16.48 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.686 0.279 . . . . 4.13 110.306 -177.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -105.88 117.31 33.7 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.218 0.532 . . . . 4.84 110.104 175.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -84.06 -8.58 59.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.677 -0.692 . . . . 4.56 111.196 -176.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 69.34 150.9 0.09 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.499 -0.773 . . . . 2.46 111.401 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -123.96 119.7 30.34 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.892 -0.595 . . . . 1.16 110.04 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.441 ' O ' HD12 ' A' ' 104' ' ' ILE . 29.0 p90 -84.28 116.88 23.21 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.321 0.581 . . . . 3.56 110.8 -177.525 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -123.48 111.76 16.7 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.903 -0.589 . . . . 1.49 109.807 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.461 ' HB ' ' O ' ' A' ' 106' ' ' THR . 44.4 m -99.49 102.25 13.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.179 0.514 . . . . 1.07 109.65 175.435 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -104.48 172.38 6.83 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.491 -0.777 . . . . 2.48 111.299 -171.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 72.7 m -96.68 107.43 19.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.336 -0.847 . . . . 1.73 109.961 175.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -93.7 8.59 40.37 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.557 0.694 . . . . 3.48 109.639 174.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -154.45 117.46 4.45 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.859 -1.064 . . . . 2.58 108.977 175.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.3 p -74.31 -26.62 60.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.066 0.46 . . . . 2.76 110.07 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -148.62 109.13 3.57 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.29 -0.868 . . . . 2.59 109.217 174.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.444 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 25.2 Cg_endo -60.91 -37.23 78.88 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.486 2.124 . . . . 2.57 111.732 -178.537 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.5 m -134.86 157.79 41.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.636 -0.711 . . . . 2.53 109.173 177.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -75.95 -8.75 57.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.746 0.308 . . . . 4.19 111.407 -175.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.9 m -89.02 -6.01 57.5 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.376 -0.374 . . . . 3.9 110.865 176.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.09 -121.89 3.51 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.737 -0.744 . . . . 2.6 112.294 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 71.9 m -118.05 56.38 0.86 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.665 -0.315 . . . . 1.73 111.185 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 63.21 89.89 0.08 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.86 -0.609 . . . . 3.94 111.849 173.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.89 -27.69 11.63 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.603 -0.808 . . . . 1.61 112.428 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.1 mm -58.68 137.85 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.682 0.277 . . . . 1.65 110.917 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -83.81 116.96 22.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.995 -0.548 . . . . 3.32 110.289 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.1 m -73.05 -6.04 42.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.005 -0.543 . . . . 4.63 112.329 -173.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -93.15 -26.6 17.35 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.007 0.432 . . . . 3.06 110.647 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -104.91 -34.52 8.01 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.175 -0.466 . . . . 3.51 111.379 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.544 ' CE3' ' HB3' ' A' ' 112' ' ' LEU . 99.1 m95 -130.1 138.45 50.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.188 0.518 . . . . 3.17 111.609 -175.284 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.423 ' HB3' ' OG ' ' A' ' 113' ' ' SER . 27.5 t-20 -106.93 134.14 50.53 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 107.943 -1.132 . . . . 2.69 107.943 167.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.589 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 9.9 m -114.55 151.3 33.6 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.909 0.385 . . . . 1.93 111.385 -172.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.439 ' O ' HG22 ' A' ' 111' ' ' VAL . 79.5 t80 -153.06 134.63 14.44 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.843 -0.617 . . . . 3.73 110.016 175.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.688 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 76.4 m -87.94 126.39 35.03 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.108 0.48 . . . . 1.67 110.988 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.412 ' O ' HG22 ' A' ' 109' ' ' VAL . 43.1 m -126.13 132.58 51.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.723 -0.672 . . . . 2.24 109.873 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.4 t -79.83 132.84 36.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.2 0.524 . . . . 2.78 110.157 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.2 p -86.62 155.87 20.26 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.953 -0.567 . . . . 2.69 110.428 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.448 ' HB2' ' HB2' ' A' ' 103' ' ' ARG . 19.0 p80 -124.07 120.13 31.49 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.8 0.333 . . . . 3.71 110.854 -178.711 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.686 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 10.8 t -112.03 160.24 17.68 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.375 -0.602 . . . . 1.48 109.375 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.446 ' HA ' ' O ' ' A' ' 102' ' ' ILE . 88.4 m-85 -109.25 116.23 31.5 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.002 0.43 . . . . 1.75 110.482 -177.01 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.9 m -115.22 155.16 16.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.83 -0.623 . . . . 1.08 110.824 -178.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.463 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 46.1 mtpt -83.0 107.94 15.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.178 -0.464 . . . . 3.82 110.334 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.71 140.25 52.19 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.789 -0.642 . . . . 1.13 110.259 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.7 tp -74.1 104.44 4.92 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.058 -0.719 . . . . 1.45 109.058 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.558 HG22 ' HA ' ' A' ' 38' ' ' VAL . 66.5 p -129.32 166.48 19.4 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.927 -0.578 . . . . 1.14 109.732 -176.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.46 ' CG2' ' HB ' ' A' ' 37' ' ' THR . 8.8 t -118.3 116.11 26.09 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.311 0.577 . . . . 1.32 110.252 177.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -94.42 -24.92 17.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.91 -0.586 . . . . 2.47 111.038 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -124.74 -90.6 0.56 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.741 -0.209 . . . . 3.09 110.651 176.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -134.63 3.53 3.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.699 0.285 . . . . 3.29 111.618 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -124.97 159.52 31.06 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.064 -0.347 . . . . 2.74 110.064 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.48 128.49 44.29 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.271 -0.422 . . . . 1.44 110.026 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.13 152.56 41.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.316 -0.402 . . . . 1.38 110.46 -178.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -75.49 100.06 4.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.157 -0.474 . . . . 2.35 110.274 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.463 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 33.1 mmt180 -99.89 165.86 11.35 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.694 -0.685 . . . . 3.48 110.102 -178.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -104.64 101.78 11.4 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.572 -0.899 . . . . 1.98 108.572 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.446 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 44.7 pt -112.12 144.81 19.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.048 0.451 . . . . 0.86 111.348 -170.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.686 ' HA ' ' O ' ' A' ' 85' ' ' THR . 13.9 ptm180 -79.61 123.79 27.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.149 -0.932 . . . . 3.71 111.203 -179.351 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.441 HD12 ' O ' ' A' ' 54' ' ' PHE . 35.5 pt -125.29 158.05 33.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.481 -0.781 . . . . 0.83 110.015 173.62 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -65.79 118.29 9.43 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.729 -0.668 . . . . 1.69 110.031 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.461 ' O ' ' HB ' ' A' ' 56' ' ' THR . 1.7 m -93.07 -57.03 2.76 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.776 -0.647 . . . . 2.29 111.217 -172.762 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -159.35 155.81 27.45 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.824 -0.625 . . . . 1.14 110.054 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.688 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 35.5 t -96.17 108.95 21.47 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.479 -0.563 . . . . 1.56 109.479 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 81' ' ' THR . 21.9 m -99.45 150.32 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.963 -0.562 . . . . 1.07 110.663 -174.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.589 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 54.0 t -101.06 115.25 30.05 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.584 -0.524 . . . . 1.45 109.584 177.016 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 79' ' ' TYR . 15.3 m -89.59 149.12 4.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.705 -0.48 . . . . 1.52 109.705 177.525 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.544 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . 93.9 mt -118.91 139.54 51.47 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.004 0.431 . . . . 1.67 110.545 -178.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.423 ' OG ' ' HB3' ' A' ' 77' ' ' ASN . 28.8 p -131.46 150.0 52.32 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.187 -0.46 . . . . 2.62 110.023 175.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 116.379 -0.373 . . . . 6.73 111.891 -178.358 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 . . . . . 0 N--CA 1.456 -0.155 0 CA-C-O 121.192 0.52 . . . . 3.65 110.062 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 4.4 m -82.81 150.45 26.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.531 -0.758 . . . . 2.42 110.815 -177.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.8 m -59.72 -37.17 69.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 121.13 0.491 . . . . 1.41 110.918 174.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.446 ' HA ' ' HG3' ' B' ' 63' ' ' PRO . 45.7 t -122.58 152.1 40.76 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.529 -0.545 . . . . 1.75 109.529 176.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -88.44 114.21 24.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.143 0.497 . . . . 2.87 110.339 -175.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' SER . . . . . 0.42 ' OG ' ' HB3' ' B' ' 108' ' ' CYS . 26.0 m -105.35 154.78 19.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.72 -0.673 . . . . 1.72 110.58 -177.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' B' ' 56' ' ' THR . 4.3 p -121.22 114.3 42.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.069 0.461 . . . . 1.51 110.587 174.113 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 48.3 m -97.09 116.67 29.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.219 -0.446 . . . . 1.66 110.371 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 60.9 t -119.34 137.94 51.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.346 -0.388 . . . . 1.03 110.687 -178.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 86.2 m95 -102.52 96.45 6.92 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.144 -0.688 . . . . 1.61 109.144 173.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 43.4 t -77.56 123.25 33.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.405 -0.816 . . . . 0.96 110.467 -175.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.02 -11.56 54.42 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.539 -0.839 . . . . 1.27 111.697 178.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -138.59 80.0 1.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.111 0.482 . . . . 3.01 110.352 -178.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -98.34 136.56 38.33 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.852 -0.796 . . . . 1.32 108.852 174.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 14.2 t -111.49 -26.86 8.85 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.671 0.619 . . . . 1.82 112.671 -173.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 6.8 p -137.25 142.67 42.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 121.92 -0.488 . . . . 1.0 111.892 -178.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.434 ' HB1' ' HB ' ' B' ' 102' ' ' ILE . . . -150.75 171.28 17.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.903 -0.59 . . . . 0.79 110.269 175.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 16.9 m -117.74 121.36 40.62 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.685 0.279 . . . . 1.01 110.445 177.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ASP . . . . . 0.483 ' OD2' ' HB3' ' B' ' 100' ' ' ARG . 17.4 t70 -74.2 163.65 27.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.864 -0.607 . . . . 1.84 109.885 178.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.0 tt -63.87 -21.43 28.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.063 0.459 . . . . 1.33 111.233 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -75.21 -13.4 60.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.427 -0.351 . . . . 2.22 110.502 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.19 17.87 35.69 Favored Glycine 0 N--CA 1.45 -0.417 0 N-CA-C 111.546 -0.621 . . . . 1.25 111.546 -178.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -91.68 135.09 34.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.677 0.275 . . . . 2.14 110.982 -178.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -84.52 114.28 21.83 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.517 -0.92 . . . . 2.19 108.517 172.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 m -115.51 149.91 17.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-O 121.174 0.511 . . . . 1.01 111.362 -172.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' THR . . . . . 0.452 ' HB ' ' CG2' ' B' ' 92' ' ' THR . 27.9 m -85.96 115.89 23.85 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 115.222 -0.899 . . . . 1.04 109.297 175.417 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.582 ' HA ' HG22 ' B' ' 91' ' ' THR . 47.2 t -81.99 140.14 16.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.06 -0.518 . . . . 1.1 109.992 -177.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 66.9 mt -97.27 121.88 39.67 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.573 -0.528 . . . . 1.91 109.573 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.19 92.26 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.928 -0.578 . . . . 2.18 109.544 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -106.37 114.66 28.92 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.224 -0.898 . . . . 3.59 108.93 175.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.481 HG22 ' O ' ' B' ' 49' ' ' PHE . 32.0 m -90.58 121.92 41.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.368 0.604 . . . . 2.39 110.149 -178.547 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -92.56 102.41 14.85 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.517 0.675 . . . . 3.25 110.408 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 14.5 mt -100.3 62.24 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 108.976 -0.75 . . . . 2.77 108.976 177.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 67.27 -79.25 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 114.944 -1.025 . . . . 3.84 111.311 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -103.48 -10.78 18.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.416 -0.356 . . . . 4.76 111.822 -175.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 20.5 t -122.81 115.48 22.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.963 0.411 . . . . 3.33 110.425 -176.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.472 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 22.8 t -114.94 122.79 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.932 -0.576 . . . . 2.38 109.466 177.365 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' PHE . . . . . 0.481 ' O ' HG22 ' B' ' 42' ' ' VAL . 43.7 p90 -163.78 171.21 15.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.722 0.296 . . . . 4.13 110.506 -178.251 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -105.64 116.9 32.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.087 0.47 . . . . 4.84 110.246 175.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -83.83 -8.53 59.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.826 -0.624 . . . . 4.56 111.19 -176.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 69.2 150.84 0.08 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.443 -0.798 . . . . 2.45 111.368 -178.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -124.0 119.57 29.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.875 -0.602 . . . . 1.16 110.017 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' PHE . . . . . 0.457 ' O ' HD12 ' B' ' 104' ' ' ILE . 29.2 p90 -84.17 116.85 23.14 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.226 0.536 . . . . 3.56 110.772 -177.531 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -123.31 111.71 16.74 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.868 -0.605 . . . . 1.49 109.862 177.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.461 ' HB ' ' O ' ' B' ' 106' ' ' THR . 45.7 m -99.49 102.12 13.57 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.485 -0.561 . . . . 1.07 109.485 175.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -104.46 172.13 6.96 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.613 -0.721 . . . . 2.48 111.242 -171.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 70.3 m -96.32 107.34 19.69 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.394 -0.821 . . . . 1.73 110.007 175.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -93.57 8.45 40.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.529 0.681 . . . . 3.49 109.684 174.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -154.41 117.21 4.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.847 -1.069 . . . . 2.58 109.154 175.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 17.5 p -74.26 -26.29 60.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.164 0.507 . . . . 2.76 110.208 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -148.58 109.52 3.59 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.233 -0.894 . . . . 2.59 109.046 174.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' PRO . . . . . 0.446 ' HG3' ' HA ' ' B' ' 15' ' ' CYS . 25.4 Cg_endo -61.4 -36.66 77.05 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.523 2.149 . . . . 2.57 111.789 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 31.5 m -135.24 158.2 40.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.662 -0.699 . . . . 2.53 109.226 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -76.32 -8.87 58.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.675 0.274 . . . . 4.2 111.295 -175.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 9.2 m -89.12 -6.09 57.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.274 -0.421 . . . . 3.9 110.855 176.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.35 -121.78 3.43 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.731 . . . . 2.6 112.323 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 71.9 m -118.26 55.9 0.88 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.596 0.236 . . . . 1.74 111.236 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 63.75 89.64 0.09 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.76 -0.654 . . . . 3.95 111.849 173.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.85 -27.07 12.56 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.618 -0.801 . . . . 1.6 112.405 177.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 49.0 mm -59.31 137.63 21.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.728 0.299 . . . . 1.65 111.053 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -83.52 117.0 22.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.142 -0.481 . . . . 3.32 110.351 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 4.8 m -73.07 -6.21 44.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.912 -0.585 . . . . 4.63 112.239 -173.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -93.38 -26.27 17.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.097 0.475 . . . . 3.06 110.789 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -105.23 -34.14 8.0 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.113 -0.494 . . . . 3.51 111.417 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' TRP . . . . . 0.558 ' CE3' ' HB3' ' B' ' 112' ' ' LEU . 99.1 m95 -130.28 138.37 50.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.32 0.581 . . . . 3.17 111.57 -175.305 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' ASN . . . . . 0.425 ' HB3' ' OG ' ' B' ' 113' ' ' SER . 27.5 t-20 -107.04 134.22 50.51 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.918 -1.141 . . . . 2.7 107.918 168.028 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.592 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 9.0 m -114.79 151.28 34.07 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.914 0.388 . . . . 1.93 111.515 -172.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' TYR . . . . . 0.432 ' O ' HG22 ' B' ' 111' ' ' VAL . 79.6 t80 -153.17 134.6 14.32 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.788 -0.642 . . . . 3.73 109.971 176.026 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.691 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 76.3 m -88.02 126.25 34.98 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.22 0.533 . . . . 1.67 111.028 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.418 ' O ' HG22 ' B' ' 109' ' ' VAL . 36.5 m -125.93 132.44 52.1 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.707 -0.679 . . . . 2.25 109.95 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.2 t -80.02 132.56 36.02 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.005 0.431 . . . . 2.78 110.273 178.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 6.4 p -86.52 155.44 20.5 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.037 -0.528 . . . . 2.69 110.517 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' HIS . . . . . 0.47 ' HB2' ' HB2' ' B' ' 103' ' ' ARG . 19.1 p80 -123.35 120.63 33.61 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.8 0.333 . . . . 3.71 110.916 -178.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.691 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 10.3 t -112.37 160.13 18.01 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.381 -0.6 . . . . 1.48 109.381 178.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.452 ' HA ' ' O ' ' B' ' 102' ' ' ILE . 87.2 m-85 -109.06 116.25 31.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.926 0.393 . . . . 1.75 110.431 -176.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 29.8 m -115.25 155.19 16.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.937 -0.574 . . . . 1.08 110.756 -178.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' LYS . . . . . 0.454 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 46.1 mtpt -82.93 107.79 15.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 3.82 110.333 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.74 140.11 52.27 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.788 -0.642 . . . . 1.13 110.221 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 18.8 tp -73.9 104.5 4.79 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 109.039 -0.726 . . . . 1.45 109.039 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 91' ' ' THR . . . . . 0.582 HG22 ' HA ' ' B' ' 38' ' ' VAL . 65.3 p -129.5 166.24 20.04 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.982 -0.554 . . . . 1.15 109.625 -176.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 92' ' ' THR . . . . . 0.452 ' CG2' ' HB ' ' B' ' 37' ' ' THR . 8.8 t -118.17 116.03 25.99 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.398 0.618 . . . . 1.32 110.137 178.031 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -94.25 -25.22 17.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.841 -0.618 . . . . 2.46 110.926 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -124.73 -91.03 0.55 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.739 -0.21 . . . . 3.09 110.501 176.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -134.29 3.48 3.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.756 0.312 . . . . 3.3 111.563 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -124.97 159.47 31.17 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.085 -0.339 . . . . 2.74 110.085 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.2 128.25 43.92 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.236 -0.438 . . . . 1.44 110.178 178.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.75 152.57 42.45 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.327 -0.397 . . . . 1.39 110.648 -178.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -75.37 100.46 4.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.125 0.488 . . . . 2.35 110.136 178.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 100' ' ' ARG . . . . . 0.483 ' HB3' ' OD2' ' B' ' 30' ' ' ASP . 33.2 mmt180 -100.26 165.42 11.49 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.587 -0.733 . . . . 3.48 110.137 -179.104 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -104.2 101.79 11.52 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.662 -0.866 . . . . 1.98 108.662 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 102' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' B' ' 86' ' ' PHE . 44.9 pt -112.15 144.9 19.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.117 0.484 . . . . 0.86 111.334 -170.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 103' ' ' ARG . . . . . 0.691 ' HA ' ' O ' ' B' ' 85' ' ' THR . 13.9 ptm180 -79.56 123.79 27.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.143 -0.935 . . . . 3.72 111.227 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 104' ' ' ILE . . . . . 0.457 HD12 ' O ' ' B' ' 54' ' ' PHE . 35.7 pt -125.34 157.97 33.99 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 CA-C-N 115.502 -0.772 . . . . 0.83 110.011 173.562 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -65.53 118.35 9.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.73 -0.668 . . . . 1.69 110.075 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 106' ' ' THR . . . . . 0.461 ' O ' ' HB ' ' B' ' 56' ' ' THR . 1.7 m -93.32 -56.81 2.81 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.834 -0.621 . . . . 2.29 111.238 -172.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -159.63 155.7 26.63 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.829 -0.623 . . . . 1.15 109.974 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 108' ' ' CYS . . . . . 0.691 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 35.7 t -96.14 108.89 21.4 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.351 -0.611 . . . . 1.56 109.351 178.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.418 HG22 ' O ' ' B' ' 81' ' ' THR . 21.9 m -99.39 150.15 5.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.984 -0.553 . . . . 1.08 110.77 -174.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.592 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 54.0 t -100.95 115.24 29.98 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.567 -0.531 . . . . 1.45 109.567 177.008 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.432 HG22 ' O ' ' B' ' 79' ' ' TYR . 15.6 m -89.75 149.31 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 N-CA-C 109.642 -0.503 . . . . 1.52 109.642 177.584 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.558 ' HB3' ' CE3' ' B' ' 76' ' ' TRP . 94.2 mt -118.88 139.65 51.28 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.984 0.421 . . . . 1.67 110.604 -178.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.425 ' OG ' ' HB3' ' B' ' 77' ' ' ASN . 29.7 p -131.45 150.27 52.21 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.241 -0.436 . . . . 2.62 110.082 175.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 116.402 -0.363 . . . . 6.72 111.658 -178.24 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 . . . . . 0 N--CA 1.463 0.18 0 CA-C-O 121.156 0.503 . . . . 3.65 111.489 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.5 m -123.75 137.54 54.67 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.715 -0.675 . . . . 2.42 110.159 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.5 m -63.79 -23.33 33.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 121.165 0.507 . . . . 1.41 110.6 176.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.7 t -132.47 133.61 44.05 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.584 -0.895 . . . . 1.75 108.584 173.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -67.26 130.31 42.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.301 0.572 . . . . 2.87 110.996 -175.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.43 ' HB2' HG22 ' A' ' 56' ' ' THR . 32.8 p -123.91 148.15 47.09 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.689 -0.687 . . . . 1.72 110.34 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.47 115.35 49.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.244 0.545 . . . . 1.51 110.21 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.6 p -94.72 113.82 25.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.673 -0.694 . . . . 1.66 110.179 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.5 t -121.61 138.19 52.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.039 -0.528 . . . . 1.03 110.666 -176.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 86.9 m95 -90.82 95.57 10.2 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.42 -0.955 . . . . 1.61 108.42 169.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.1 t -69.57 117.84 12.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.634 -0.712 . . . . 0.96 109.765 -176.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.493 ' HA2' ' CD1' ' A' ' 52' ' ' TYR . . . -73.87 -35.04 55.11 Favored Glycine 0 N--CA 1.44 -1.042 0 CA-C-N 115.561 -0.745 . . . . 1.27 112.659 -175.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -138.23 71.68 1.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.805 0.302 . . . . 3.02 111.397 -175.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.8 tttp -71.83 131.57 43.23 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.031 -0.729 . . . . 1.32 109.031 173.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 37' ' ' THR . 11.5 t -102.54 -33.21 9.57 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.847 0.684 . . . . 1.82 112.847 -171.04 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.7 p -141.63 144.0 33.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.031 -0.418 . . . . 1.01 111.742 -176.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.47 159.47 38.67 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.837 -0.62 . . . . 0.79 110.512 175.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.7 m -96.03 120.64 36.68 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.406 -0.361 . . . . 1.02 110.649 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -67.81 160.64 27.87 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.914 -0.585 . . . . 1.85 109.788 174.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.5 tt -54.9 -30.84 23.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.765 0.317 . . . . 1.33 111.515 -177.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -80.06 2.56 23.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.528 -0.306 . . . . 2.22 111.539 -177.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.37 28.49 27.39 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.936 -0.649 . . . . 1.25 112.011 178.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -101.92 113.06 25.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.483 0.182 . . . . 2.14 110.686 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -76.55 113.91 14.69 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.308 -0.997 . . . . 2.19 108.308 173.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.0 m -130.44 159.41 42.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-O 121.185 0.517 . . . . 1.02 111.811 -171.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.408 ' HB ' ' CG2' ' A' ' 92' ' ' THR . 26.0 m -81.81 115.46 21.03 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.017 -0.992 . . . . 1.04 110.01 178.027 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.4 t -85.27 140.36 16.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.645 -0.707 . . . . 1.1 110.367 -177.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.7 mt -105.59 123.53 48.06 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.484 -0.561 . . . . 1.91 109.484 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.33 -20.05 57.63 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.985 -0.552 . . . . 2.18 110.453 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -105.42 115.54 30.43 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.451 -0.944 . . . . 3.59 108.451 178.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.474 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 20.9 m -97.86 129.62 47.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 C-N-CA 120.459 -0.497 . . . . 2.4 110.751 -176.717 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.418 ' H ' HD22 ' A' ' 90' ' ' LEU . 2.4 p-10 -104.12 115.7 30.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.533 0.682 . . . . 3.25 110.319 177.048 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 70.3 mt -109.11 95.09 3.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.529 -0.76 . . . . 2.77 109.042 174.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 67.76 -83.2 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.312 -0.858 . . . . 3.84 110.326 -176.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -136.28 24.89 3.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.051 0.453 . . . . 4.76 110.614 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.5 t -123.12 114.37 20.24 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.512 -0.551 . . . . 3.33 109.512 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.474 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 41.8 t -112.93 122.68 67.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.094 -0.503 . . . . 2.37 110.424 -179.258 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.451 ' O ' HG22 ' A' ' 42' ' ' VAL . 42.1 p90 -149.89 152.09 34.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.415 -0.357 . . . . 4.13 110.675 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.16 146.99 35.89 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.539 -0.541 . . . . 4.84 109.539 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.05 1.26 2.45 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.939 -0.304 . . . . 4.56 111.435 -178.583 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.493 ' CD1' ' HA2' ' A' ' 23' ' ' GLY . 7.1 m-85 68.27 176.21 0.26 Allowed 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.856 0.723 . . . . 2.46 111.122 178.301 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -127.16 125.07 40.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 1.16 110.602 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -84.39 108.53 17.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.772 0.32 . . . . 3.56 110.621 -177.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -123.5 136.73 54.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.161 -0.472 . . . . 1.49 110.407 178.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.43 HG22 ' HB2' ' A' ' 17' ' ' SER . 32.5 m -117.03 110.02 17.71 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.052 -0.522 . . . . 1.07 109.606 178.422 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -104.03 146.38 28.79 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.234 -0.439 . . . . 2.48 110.63 -173.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.543 ' SG ' HG23 ' A' ' 82' ' ' THR . 73.1 m -72.23 122.33 20.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.299 -0.41 . . . . 1.73 110.332 176.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -79.15 86.04 4.99 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.439 -0.578 . . . . 3.48 109.439 176.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 72.89 139.96 0.06 Allowed 'General case' 0 N--CA 1.465 0.296 0 O-C-N 124.082 0.864 . . . . 2.58 110.195 -171.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 41.4 m -76.21 -4.32 41.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.068 -0.515 . . . . 2.76 112.04 -174.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -149.26 104.9 3.33 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.435 -0.348 . . . . 2.59 110.112 177.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.78 -34.48 61.45 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.278 1.985 . . . . 2.57 111.558 175.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.8 m -121.4 154.65 25.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.863 -0.608 . . . . 2.53 109.574 176.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -79.1 65.05 4.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.313 0.578 . . . . 4.19 110.779 -175.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 76.0 p -177.87 -28.15 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.979 -1.009 . . . . 3.9 109.412 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.448 ' CA ' ' HB2' ' A' ' 78' ' ' SER . . . 162.13 -114.34 0.6 Allowed Glycine 0 N--CA 1.442 -0.966 0 CA-C-N 115.418 -0.81 . . . . 2.6 112.055 179.047 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 73.8 m -116.66 166.34 12.23 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.108 -0.33 . . . . 1.73 110.108 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.442 HH11 ' HD3' ' A' ' 69' ' ' ARG . 33.2 mtm180 -72.67 131.88 42.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.491 -0.322 . . . . 3.94 110.523 -178.403 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.52 -34.57 4.65 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.773 -0.727 . . . . 1.61 112.494 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.2 mm -63.94 132.57 29.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.907 0.384 . . . . 1.65 111.578 -177.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -67.77 105.93 2.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.711 -0.677 . . . . 3.32 109.432 173.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.493 ' HA ' ' O ' ' A' ' 76' ' ' TRP . 19.9 m -79.16 1.2 25.3 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.042 -0.526 . . . . 4.63 111.645 -173.558 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -90.13 -41.23 11.76 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.542 -0.54 . . . . 3.06 109.542 177.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -86.45 -31.28 21.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.471 -0.786 . . . . 3.51 111.245 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.493 ' O ' ' HA ' ' A' ' 73' ' ' SER . 84.6 m95 -137.28 130.77 31.33 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.847 0.314 . . . . 3.17 111.847 -175.022 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.573 ' HB3' ' O ' ' A' ' 113' ' ' SER . 28.0 t-20 -92.53 135.34 34.14 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 107.368 -1.345 . . . . 2.69 107.368 167.155 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.805 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 0.9 OUTLIER -111.37 151.14 28.8 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.112 0.482 . . . . 1.93 111.728 -170.473 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -147.25 133.79 19.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.375 -0.829 . . . . 3.73 109.064 177.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.468 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 34.6 m -81.33 123.43 28.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.841 0.353 . . . . 1.67 110.422 -178.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.8 m -128.13 129.13 46.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.168 -0.469 . . . . 2.24 109.926 -177.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.543 HG23 ' SG ' ' A' ' 58' ' ' CYS . 1.2 p -80.41 134.12 35.97 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.016 0.436 . . . . 2.78 111.442 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.9 p -76.79 137.46 39.27 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 121.324 0.583 . . . . 2.69 110.69 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -103.45 119.93 39.85 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.152 -0.931 . . . . 3.71 111.07 -173.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.549 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 13.2 t -125.99 161.9 26.49 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.555 -0.535 . . . . 1.48 109.555 176.533 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -110.33 119.63 39.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.838 0.352 . . . . 1.75 110.458 -177.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.6 m -113.85 153.51 15.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.061 -0.518 . . . . 1.08 111.303 -178.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.445 ' HG2' ' CE2' ' A' ' 101' ' ' PHE . 89.0 mttt -80.01 105.96 11.68 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.244 -0.889 . . . . 3.82 110.166 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.82 144.37 51.09 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.183 -0.462 . . . . 1.13 110.541 -178.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.418 HD22 ' H ' ' A' ' 43' ' ' ASN . 29.1 tp -80.83 133.06 35.54 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.232 -0.655 . . . . 1.45 109.232 178.216 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 67.4 p -129.29 160.63 32.39 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.882 -0.414 . . . . 1.14 109.882 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.408 ' CG2' ' HB ' ' A' ' 37' ' ' THR . 4.7 t -99.77 110.22 22.61 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.465 0.65 . . . . 1.32 109.429 175.213 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -69.15 -33.94 74.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.395 -0.82 . . . . 2.47 109.895 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -175.82 -73.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.257 -0.883 . . . . 3.09 108.768 176.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.433 ' HB2' ' NE2' ' A' ' 96' ' ' GLN . 52.6 mttp -108.82 -24.66 11.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.848 -0.615 . . . . 3.29 109.694 174.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.433 ' NE2' ' HB2' ' A' ' 95' ' ' LYS . 22.2 mp0 -103.03 152.0 21.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.563 -0.744 . . . . 2.74 110.431 -176.526 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -98.83 125.47 44.22 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.065 -0.516 . . . . 1.44 110.123 176.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -129.08 141.92 51.06 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.31 -0.405 . . . . 1.38 110.664 -177.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -77.65 126.38 30.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.071 -0.513 . . . . 2.35 110.542 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -122.73 172.19 8.61 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.278 -0.419 . . . . 3.48 110.105 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.445 ' CE2' ' HG2' ' A' ' 88' ' ' LYS . 89.8 m-85 -113.36 106.6 14.78 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.348 -0.982 . . . . 1.98 108.348 176.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 39.6 pt -111.94 143.94 20.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.235 0.54 . . . . 0.86 111.351 -170.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.549 ' HA ' ' O ' ' A' ' 85' ' ' THR . 38.0 ptt180 -77.47 123.9 27.18 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.079 -0.964 . . . . 3.71 110.48 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 45.5 pt -123.27 151.91 27.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.989 -0.551 . . . . 0.83 110.319 174.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.425 ' HB3' ' HB ' ' A' ' 82' ' ' THR . 13.4 m-20 -79.14 100.6 7.5 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.362 -0.977 . . . . 1.69 108.362 175.256 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.474 HG21 ' OG1' ' B' ' 106' ' ' THR . 8.9 t -94.29 -18.67 21.41 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 112.394 0.516 . . . . 2.29 112.394 -169.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -160.96 171.73 18.18 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.855 -0.424 . . . . 1.14 109.855 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 51.8 t -125.39 119.92 29.64 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.881 0.372 . . . . 1.56 110.203 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.0 m -112.39 175.67 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.003 -0.544 . . . . 1.07 109.693 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.805 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 42.3 t -124.76 117.72 24.81 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 110.012 -0.366 . . . . 1.45 110.012 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 78' ' ' SER . 23.4 m -85.62 148.27 4.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.614 -0.513 . . . . 1.52 109.614 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.1 mt -119.4 136.7 54.17 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.819 -0.352 . . . . 1.67 110.782 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.573 ' O ' ' HB3' ' A' ' 77' ' ' ASN . 27.4 p -178.64 99.06 0.03 OUTLIER 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.01 -0.541 . . . . 2.62 110.839 176.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.41 ' N ' ' H ' ' A' ' 77' ' ' ASN . 26.6 tpt180 . . . . . 0 C--N 1.322 -0.59 0 CA-C-O 121.929 0.871 . . . . 6.73 108.864 167.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 . . . . . 0 CA--C 1.519 -0.229 0 CA-C-O 121.201 0.524 . . . . 3.65 111.651 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 10.6 m -123.65 137.41 54.73 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.706 -0.679 . . . . 2.42 110.144 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.0 m -63.74 -23.2 32.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 121.299 0.571 . . . . 1.41 110.612 176.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 43.5 t -132.62 133.75 44.02 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.54 -0.911 . . . . 1.75 108.54 173.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -67.48 130.69 43.83 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.201 0.524 . . . . 2.87 111.03 -175.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' SER . . . . . 0.439 ' HB2' HG22 ' B' ' 56' ' ' THR . 31.8 p -123.97 148.45 46.93 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.675 -0.693 . . . . 1.72 110.229 -178.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.75 115.23 48.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.228 0.537 . . . . 1.51 110.128 177.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 17.2 p -94.59 114.1 26.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.753 -0.658 . . . . 1.66 110.115 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 60.0 t -122.03 138.18 53.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.113 -0.494 . . . . 1.03 110.61 -176.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -91.09 95.49 10.11 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.364 -0.976 . . . . 1.61 108.364 169.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 51.2 t -69.54 118.11 13.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.607 -0.724 . . . . 0.96 109.651 -176.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.491 ' HA2' ' CD1' ' B' ' 52' ' ' TYR . . . -74.04 -35.05 54.5 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-N 115.499 -0.773 . . . . 1.27 112.621 -176.013 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -138.4 71.74 1.4 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.862 0.331 . . . . 3.01 111.382 -175.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -71.95 131.69 43.3 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.072 -0.714 . . . . 1.32 109.072 173.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 10.3 t -102.41 -33.15 9.65 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.781 0.66 . . . . 1.82 112.781 -170.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 7.8 p -141.66 144.23 34.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.952 0.406 . . . . 1.0 111.806 -176.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.43 159.46 38.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.921 -0.581 . . . . 0.79 110.459 175.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 8.1 m -95.89 120.56 36.38 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.306 -0.406 . . . . 1.01 110.701 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -68.09 160.66 28.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.856 -0.611 . . . . 1.84 109.872 174.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 13.4 tt -54.7 -31.0 23.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-O 120.806 0.336 . . . . 1.33 111.681 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -79.98 2.74 22.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.44 -0.346 . . . . 2.22 111.421 -177.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.0 28.55 28.22 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.795 -0.717 . . . . 1.25 112.036 178.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -101.85 113.16 26.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.498 0.189 . . . . 2.14 110.745 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -76.46 114.05 14.74 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.291 -1.003 . . . . 2.19 108.291 173.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 13.9 m -130.73 159.46 42.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.144 0.497 . . . . 1.01 111.891 -171.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' THR . . . . . 0.428 ' HB ' ' CG2' ' B' ' 92' ' ' THR . 23.7 m -81.52 115.62 20.91 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.94 -1.027 . . . . 1.04 110.024 178.013 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 58.6 t -85.33 140.44 15.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.743 -0.662 . . . . 1.1 110.219 -177.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 65.4 mt -105.68 123.32 47.74 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.529 -0.545 . . . . 1.91 109.529 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.83 -20.03 58.46 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.368 0.604 . . . . 2.18 110.653 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -105.42 115.58 30.5 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.419 -0.956 . . . . 3.59 108.419 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.486 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 21.1 m -97.97 129.74 47.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 C-N-CA 120.324 -0.55 . . . . 2.39 110.733 -176.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.427 ' H ' HD22 ' B' ' 90' ' ' LEU . 2.4 p-10 -104.22 115.6 30.68 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.478 0.656 . . . . 3.25 110.233 177.134 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 70.6 mt -108.9 95.15 3.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 108.919 -0.771 . . . . 2.77 108.919 174.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 67.63 -83.07 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.356 -0.838 . . . . 3.84 110.409 -176.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -136.71 25.61 3.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.946 0.403 . . . . 4.76 110.528 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 43.5 t -123.61 114.15 19.63 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.452 -0.574 . . . . 3.33 109.452 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 42.2 t -112.64 123.17 68.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.054 -0.521 . . . . 2.38 110.214 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' PHE . . . . . 0.441 ' O ' HG22 ' B' ' 42' ' ' VAL . 41.5 p90 -150.19 152.44 34.64 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.294 -0.412 . . . . 4.13 110.523 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.7 146.92 36.67 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.408 -0.59 . . . . 4.84 109.408 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.08 1.6 2.48 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.931 -0.308 . . . . 4.56 111.434 -178.578 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' TYR . . . . . 0.491 ' CD1' ' HA2' ' B' ' 23' ' ' GLY . 7.0 m-85 68.15 176.44 0.26 Allowed 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.736 0.648 . . . . 2.45 111.177 178.199 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -127.46 124.95 39.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.229 -0.441 . . . . 1.16 110.562 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -84.23 108.37 17.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.682 0.277 . . . . 3.56 110.595 -177.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -123.48 136.72 54.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.365 -0.379 . . . . 1.49 110.443 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.439 HG22 ' HB2' ' B' ' 17' ' ' SER . 32.0 m -116.93 110.26 18.09 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.091 -0.504 . . . . 1.07 109.723 178.318 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -104.25 146.26 29.04 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.227 -0.442 . . . . 2.48 110.571 -173.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' CYS . . . . . 0.551 ' SG ' HG23 ' B' ' 82' ' ' THR . 73.0 m -72.37 121.95 20.38 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.191 -0.459 . . . . 1.73 110.329 177.028 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -78.71 85.98 4.7 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.481 -0.563 . . . . 3.49 109.481 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . 72.91 139.94 0.06 Allowed 'General case' 0 N--CA 1.464 0.256 0 O-C-N 124.206 0.941 . . . . 2.58 110.315 -171.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 45.9 m -76.23 -4.46 42.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.127 -0.488 . . . . 2.76 112.098 -174.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -148.85 105.37 3.42 Favored Pre-proline 0 C--O 1.234 0.248 0 CA-C-N 116.378 -0.373 . . . . 2.59 110.084 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -64.01 -34.6 58.32 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.225 1.95 . . . . 2.57 111.491 175.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 28.3 m -121.39 154.75 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.907 -0.588 . . . . 2.53 109.567 176.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -78.93 64.57 3.91 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.357 0.599 . . . . 4.2 110.827 -176.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 73.4 p -177.6 -28.05 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.168 -0.924 . . . . 3.9 109.404 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.452 ' CA ' ' HB2' ' B' ' 78' ' ' SER . . . 161.95 -114.44 0.61 Allowed Glycine 0 N--CA 1.44 -1.073 0 CA-C-N 115.519 -0.764 . . . . 2.6 112.03 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 73.8 m -116.9 166.08 12.58 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.15 -0.315 . . . . 1.74 110.15 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 33.3 mtm180 -72.63 131.96 43.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.618 -0.265 . . . . 3.95 110.421 -178.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.65 -34.02 4.99 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.855 -0.688 . . . . 1.6 112.296 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 49.2 mm -64.55 132.39 30.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.902 0.382 . . . . 1.65 111.653 -177.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -67.53 105.86 1.97 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.671 -0.695 . . . . 3.32 109.372 173.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' SER . . . . . 0.479 ' HA ' ' O ' ' B' ' 76' ' ' TRP . 20.1 m -79.33 1.58 24.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.06 -0.518 . . . . 4.63 111.772 -173.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -90.48 -41.18 11.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.349 0.595 . . . . 3.06 109.49 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 30.9 m-70 -86.35 -31.53 21.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.378 -0.828 . . . . 3.51 111.12 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' TRP . . . . . 0.479 ' O ' ' HA ' ' B' ' 73' ' ' SER . 84.6 m95 -137.1 130.79 31.75 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.87 0.322 . . . . 3.17 111.87 -174.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' ASN . . . . . 0.575 ' HB3' ' O ' ' B' ' 113' ' ' SER . 28.1 t-20 -92.54 135.22 34.26 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.416 -1.327 . . . . 2.7 107.416 167.088 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.8 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 0.9 OUTLIER -111.39 151.1 28.87 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.167 0.508 . . . . 1.93 111.767 -170.473 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -147.3 133.9 19.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.383 -0.826 . . . . 3.73 109.221 177.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.465 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 34.7 m -81.32 123.26 28.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.833 0.349 . . . . 1.67 110.388 -178.757 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 26.3 m -127.91 129.36 46.72 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.206 -0.452 . . . . 2.25 110.014 -177.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.551 HG23 ' SG ' ' B' ' 58' ' ' CYS . 1.2 p -80.37 133.91 35.97 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.967 0.413 . . . . 2.78 111.466 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 7.1 p -76.65 137.73 39.61 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 121.215 0.531 . . . . 2.69 110.842 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -103.57 120.3 40.6 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.209 -0.905 . . . . 3.71 110.937 -172.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.563 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 13.5 t -126.28 161.91 26.69 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.568 -0.531 . . . . 1.48 109.568 176.478 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -110.42 119.58 39.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.816 0.341 . . . . 1.75 110.484 -177.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 18.7 m -113.75 153.57 15.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.116 -0.493 . . . . 1.08 111.351 -178.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' LYS . . . . . 0.454 ' HG2' ' CE2' ' B' ' 101' ' ' PHE . 89.1 mttt -80.03 105.81 11.58 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.29 -0.868 . . . . 3.82 110.179 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.77 144.38 51.09 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.141 -0.481 . . . . 1.13 110.523 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 90' ' ' LEU . . . . . 0.427 HD22 ' H ' ' B' ' 43' ' ' ASN . 29.3 tp -80.95 133.1 35.46 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.164 -0.68 . . . . 1.45 109.164 178.267 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 66.8 p -129.31 160.44 33.01 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.936 -0.394 . . . . 1.15 109.936 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 92' ' ' THR . . . . . 0.428 ' CG2' ' HB ' ' B' ' 37' ' ' THR . 4.9 t -99.52 110.47 22.93 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.435 0.636 . . . . 1.32 109.393 175.047 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -69.16 -34.32 74.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.438 -0.801 . . . . 2.46 109.817 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -175.81 -72.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.235 -0.893 . . . . 3.09 109.062 176.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 95' ' ' LYS . . . . . 0.432 ' HB2' ' NE2' ' B' ' 96' ' ' GLN . 52.8 mttp -109.58 -23.33 11.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.856 -0.611 . . . . 3.3 109.848 174.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 96' ' ' GLN . . . . . 0.432 ' NE2' ' HB2' ' B' ' 95' ' ' LYS . 22.2 mp0 -104.07 152.01 22.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.644 -0.707 . . . . 2.74 110.495 -176.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -98.98 125.27 44.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.056 -0.52 . . . . 1.44 110.092 176.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -128.83 142.0 51.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.167 -0.47 . . . . 1.39 110.528 -177.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -77.56 126.72 31.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.217 -0.447 . . . . 2.35 110.496 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -123.13 172.13 8.8 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.04 -0.527 . . . . 3.48 110.256 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.454 ' CE2' ' HG2' ' B' ' 88' ' ' LYS . 89.9 m-85 -113.38 106.48 14.63 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.407 -0.96 . . . . 1.98 108.407 177.016 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 39.7 pt -111.89 143.95 20.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.221 0.534 . . . . 0.86 111.306 -169.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 103' ' ' ARG . . . . . 0.563 ' HA ' ' O ' ' B' ' 85' ' ' THR . 37.9 ptt180 -77.48 124.04 27.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.074 -0.966 . . . . 3.72 110.34 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 45.3 pt -123.28 151.9 27.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-N 116.026 -0.534 . . . . 0.83 110.27 174.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 105' ' ' ASP . . . . . 0.411 ' HB3' ' HB ' ' B' ' 82' ' ' THR . 15.1 m-20 -78.94 100.59 7.32 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.401 -0.962 . . . . 1.69 108.401 175.197 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 106' ' ' THR . . . . . 0.474 ' OG1' HG21 ' A' ' 106' ' ' THR . 9.0 t -94.17 -18.83 21.33 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 112.349 0.5 . . . . 2.29 112.349 -169.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 107' ' ' ALA . . . . . 0.416 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -160.81 172.05 17.71 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.912 -0.403 . . . . 1.15 109.912 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 108' ' ' CYS . . . . . 0.465 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 51.1 t -125.44 119.94 29.63 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.872 0.368 . . . . 1.56 110.205 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 20.9 m -112.45 175.83 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.048 -0.524 . . . . 1.08 109.747 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.8 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 42.4 t -124.85 117.72 24.76 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 110.028 -0.36 . . . . 1.45 110.028 -179.137 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' B' ' 78' ' ' SER . 23.7 m -85.64 148.26 4.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.56 -0.533 . . . . 1.52 109.56 178.502 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.405 ' HB3' ' HB3' ' B' ' 76' ' ' TRP . 65.0 mt -119.38 136.77 54.13 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.851 -0.34 . . . . 1.67 110.836 -177.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.575 ' O ' ' HB3' ' B' ' 77' ' ' ASN . 32.5 p -178.76 99.01 0.03 OUTLIER 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 116.109 -0.496 . . . . 2.62 110.804 176.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 114' ' ' ARG . . . . . 0.403 ' N ' ' H ' ' B' ' 77' ' ' ASN . 26.4 tpt180 . . . . . 0 C--N 1.323 -0.581 0 CA-C-O 121.927 0.87 . . . . 6.72 108.746 167.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.761 -0.459 . . . . 3.65 109.761 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.1 p -60.18 132.89 55.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.984 -0.553 . . . . 2.42 110.555 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.5 m -57.03 -25.04 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 115.664 -0.698 . . . . 1.41 111.52 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.451 ' HA ' ' HG3' ' A' ' 63' ' ' PRO . 46.7 t -131.72 137.95 48.45 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.448 -0.575 . . . . 1.75 109.448 175.209 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -70.57 116.05 10.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.194 0.521 . . . . 2.87 110.229 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.0 m -121.15 135.33 55.18 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.964 -0.562 . . . . 1.72 110.785 -176.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 56' ' ' THR . 7.4 p -109.39 117.1 53.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.946 0.403 . . . . 1.51 110.366 178.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.463 ' HB2' ' CE2' ' A' ' 54' ' ' PHE . 29.1 p -100.06 121.57 41.6 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.254 -0.43 . . . . 1.66 110.396 -179.523 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.6 t -119.86 138.01 51.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.42 -0.355 . . . . 1.03 110.929 -177.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -97.5 95.84 7.92 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.635 -0.876 . . . . 1.61 108.635 171.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.471 HG12 ' H ' ' A' ' 24' ' ' ASP . 49.0 t -82.84 115.86 26.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.823 -0.626 . . . . 0.96 110.949 -174.413 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -97.66 14.41 63.11 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.703 -0.761 . . . . 1.27 111.934 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.471 ' H ' HG12 ' A' ' 22' ' ' VAL . 36.6 t70 -159.19 76.7 0.71 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.166 0.508 . . . . 3.02 110.472 179.025 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.675 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 59.1 tttp -99.84 110.61 22.97 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.593 -0.892 . . . . 1.32 108.593 173.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.435 ' O ' ' HA ' ' A' ' 37' ' ' THR . 14.7 t -82.47 -29.95 30.27 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.185 0.439 . . . . 1.82 112.185 -170.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.9 p -140.96 145.32 35.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.22 0.533 . . . . 1.01 112.015 -176.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.34 162.49 38.06 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.704 -0.68 . . . . 0.79 110.012 175.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.4 m -95.07 118.75 32.4 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 116.171 -0.468 . . . . 1.02 110.565 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -65.99 157.9 29.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.02 -0.991 . . . . 1.85 108.958 175.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.3 tt -62.38 -20.19 24.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.254 0.55 . . . . 1.33 110.467 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -75.25 -8.72 57.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.649 -0.705 . . . . 2.22 110.495 176.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.83 17.74 55.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.165 -0.54 . . . . 1.25 111.799 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -103.24 159.16 15.8 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.616 0.246 . . . . 2.14 110.746 -177.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -99.2 116.7 32.01 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.887 -0.412 . . . . 2.19 109.887 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.3 m -117.97 154.59 19.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.23 -0.441 . . . . 1.02 111.186 -177.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 26' ' ' THR . 36.0 m -89.01 115.86 26.88 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.658 -0.701 . . . . 1.04 110.28 -179.463 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.675 ' HB ' ' O ' ' A' ' 25' ' ' LYS . 39.7 t -86.07 140.09 16.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.214 -0.448 . . . . 1.1 110.65 -174.605 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 46.8 mt -109.28 121.76 45.88 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.851 -0.426 . . . . 1.91 109.851 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' A' ' 50' ' ' ARG . . . -75.58 -32.38 60.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.321 0.581 . . . . 2.18 109.874 177.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -106.25 115.35 30.06 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.042 -0.981 . . . . 3.59 108.603 175.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 16.9 m -96.97 126.64 49.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.299 0.571 . . . . 2.4 110.844 -175.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -103.71 99.67 9.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.645 -0.707 . . . . 3.25 109.482 178.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 53.5 mt -95.81 -78.47 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.968 -0.293 . . . . 2.77 111.185 -176.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -123.91 65.59 1.04 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.555 -0.535 . . . . 3.84 109.555 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 61.23 24.11 14.25 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.367 -0.833 . . . . 4.76 110.36 -175.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.3 m -124.57 114.98 20.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.257 -0.883 . . . . 3.33 108.643 178.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.499 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 26.3 t -98.5 113.03 32.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 120.919 0.39 . . . . 2.37 110.788 -176.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.431 ' O ' HG22 ' A' ' 42' ' ' VAL . 95.0 m-85 -113.62 151.93 31.05 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.86 -0.609 . . . . 4.13 109.406 177.14 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 3.1 ptp180 -124.89 153.53 42.49 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.074 0.464 . . . . 4.84 111.031 -177.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.495 ' HB3' ' HD3' ' B' ' 88' ' ' LYS . 8.6 pt20 -142.37 133.83 26.5 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.51 -0.768 . . . . 4.56 110.457 177.064 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -91.86 123.77 35.48 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.16 -0.682 . . . . 2.46 109.16 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -80.75 113.67 19.11 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.075 0.464 . . . . 1.16 110.289 -175.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.463 ' CE2' ' HB2' ' A' ' 19' ' ' SER . 90.7 t80 -83.35 98.55 9.52 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.405 -0.816 . . . . 3.56 109.893 -176.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.562 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 29.8 mt-10 -111.16 117.36 33.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.783 -0.644 . . . . 1.49 110.072 -178.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.528 ' HB ' ' HA ' ' A' ' 107' ' ' ALA . 34.6 m -104.34 118.11 35.83 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.133 -0.485 . . . . 1.07 109.995 176.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -112.02 156.01 22.86 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.019 -0.537 . . . . 2.48 110.856 -175.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 62.8 m -80.55 122.75 27.43 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.721 -0.672 . . . . 1.73 110.159 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.421 ' O ' ' HB3' ' A' ' 60' ' ' ALA . 81.7 mtp180 -82.01 82.78 7.49 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.982 -0.747 . . . . 3.48 108.982 175.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 59' ' ' ARG . . . 76.31 131.35 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 O-C-N 124.383 1.052 . . . . 2.58 110.033 -172.235 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.4 p -65.42 -19.68 66.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.74 -0.664 . . . . 2.76 111.839 -175.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -137.67 88.8 15.99 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.022 -0.536 . . . . 2.59 109.698 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.451 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 9.2 Cg_endo -54.3 -38.91 88.78 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.835 2.357 . . . . 2.57 112.442 -178.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.2 m -118.62 157.12 20.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.887 -0.412 . . . . 2.53 109.887 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -79.43 71.52 6.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.27 0.557 . . . . 4.19 110.288 -177.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.7 t 175.69 -25.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.689 -1.141 . . . . 3.9 108.772 -178.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.85 -109.42 0.46 Allowed Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.381 -0.827 . . . . 2.6 111.412 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 72.8 m -110.71 167.53 10.16 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.661 0.267 . . . . 1.73 110.517 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -68.39 127.09 31.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.185 -0.462 . . . . 3.94 109.976 -178.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.59 -22.73 39.45 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.925 -0.655 . . . . 1.61 112.163 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 40.6 mm -81.05 117.47 27.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-O 120.999 0.428 . . . . 1.65 110.663 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -146.62 96.53 2.77 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.873 -0.603 . . . . 3.32 109.955 176.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.502 ' HB3' ' HB2' ' A' ' 76' ' ' TRP . 45.8 t -155.42 145.41 21.57 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.003 -0.544 . . . . 4.63 110.103 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -74.58 -11.15 60.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.499 -0.773 . . . . 3.06 110.952 -177.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.413 ' O ' ' HD2' ' A' ' 114' ' ' ARG . 53.0 m80 -123.59 19.63 9.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.138 -0.483 . . . . 3.51 111.679 -179.46 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.502 ' HB2' ' HB3' ' A' ' 73' ' ' SER . 46.7 m95 -136.98 117.17 13.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.086 0.469 . . . . 3.17 110.978 175.191 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -113.95 133.57 55.39 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.291 -1.004 . . . . 2.69 108.291 171.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.462 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 1.3 m -101.98 144.91 30.0 Favored 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 120.694 -0.403 . . . . 1.93 111.128 -174.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -139.21 135.44 33.96 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.539 -0.541 . . . . 3.73 109.539 170.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.694 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 65.5 m -88.66 129.58 35.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.73 -0.668 . . . . 1.67 110.363 -178.364 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.432 ' O ' HG22 ' A' ' 109' ' ' VAL . 60.5 m -135.22 132.8 38.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.179 -0.464 . . . . 2.24 110.131 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.3 p -80.71 132.68 35.58 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.131 0.491 . . . . 2.78 111.194 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.1 m -76.79 126.65 31.35 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.726 -0.67 . . . . 2.69 109.852 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.503 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 75.5 m80 -106.66 121.74 44.95 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.298 -0.41 . . . . 3.71 110.255 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.631 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 6.5 t -112.42 160.44 17.73 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.428 -0.582 . . . . 1.48 109.428 177.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.444 ' CE2' ' HB3' ' A' ' 103' ' ' ARG . 78.9 m-85 -108.31 115.55 30.32 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.911 0.386 . . . . 1.75 110.36 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.7 m -116.41 134.65 59.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.917 -0.583 . . . . 1.08 110.375 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.563 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 5.2 ptmm? -80.61 94.98 6.41 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.509 0.671 . . . . 3.82 110.958 178.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -111.26 155.06 23.56 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.081 -0.963 . . . . 1.13 109.468 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.5 tp -72.78 104.62 4.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.184 0.516 . . . . 1.45 109.94 -177.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.497 HG22 ' HA ' ' A' ' 38' ' ' VAL . 43.8 p -122.34 156.84 33.08 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.033 -0.728 . . . . 1.14 109.033 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.4 t -111.29 119.81 40.14 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.436 0.636 . . . . 1.32 110.399 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -69.94 -29.44 66.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.103 -0.953 . . . . 2.47 110.512 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -170.7 -72.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.992 -0.549 . . . . 3.09 109.881 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -112.99 -26.94 8.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.82 0.343 . . . . 3.29 110.97 177.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -92.25 138.93 31.11 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.394 -0.366 . . . . 2.74 110.688 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.22 127.44 47.8 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.323 -0.621 . . . . 1.44 109.323 172.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -146.23 151.3 37.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.723 0.297 . . . . 1.38 110.672 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -76.4 91.84 3.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.079 -0.51 . . . . 2.35 110.243 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.563 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 36.6 mmt180 -95.26 147.32 23.6 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.871 -0.604 . . . . 3.48 110.075 -176.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -81.71 105.23 12.68 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.087 -0.506 . . . . 1.98 109.761 177.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 36.3 pt -113.41 146.87 17.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.317 -0.401 . . . . 0.86 110.836 -176.383 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.631 ' HA ' ' O ' ' A' ' 85' ' ' THR . 38.2 ptt180 -84.25 124.92 31.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.666 -0.697 . . . . 3.71 111.151 -177.358 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.503 ' O ' ' HA ' ' A' ' 84' ' ' HIS . 40.4 pt -123.71 152.43 28.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.909 -0.587 . . . . 0.83 110.78 176.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.562 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 4.4 m-20 -83.1 110.58 18.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.716 -0.675 . . . . 1.69 109.743 178.598 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.511 ' HB ' ' HB ' ' B' ' 106' ' ' THR . 24.5 p -90.49 -44.06 9.84 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.144 0.424 . . . . 2.29 112.144 -175.168 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.528 ' HA ' ' HB ' ' A' ' 56' ' ' THR . . . -155.74 155.54 33.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.433 -0.348 . . . . 1.14 110.652 -177.594 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.694 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 42.4 t -100.31 113.69 26.59 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.363 -0.606 . . . . 1.56 109.363 176.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 81' ' ' THR . 18.2 m -102.79 146.37 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.972 0.415 . . . . 1.07 110.627 -176.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.462 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 41.7 t -96.43 115.89 28.16 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.867 -0.606 . . . . 1.45 109.453 176.282 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 9.6 m -115.43 145.54 21.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 116.312 -0.403 . . . . 1.52 110.024 178.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.6 mt -101.25 156.45 17.43 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.281 0.562 . . . . 1.67 110.916 -174.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.5 p -127.97 139.51 52.53 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.136 -0.938 . . . . 2.62 108.786 173.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.413 ' HD2' ' O ' ' A' ' 75' ' ' HIS . 28.3 tpt180 . . . . . 0 C--N 1.326 -0.44 0 CA-C-O 120.946 0.403 . . . . 6.73 110.762 -173.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.676 -0.49 . . . . 3.65 109.676 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 10.9 p -60.05 132.88 55.3 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.032 -0.531 . . . . 2.42 110.508 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.1 m -57.18 -25.02 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 CA-C-N 115.661 -0.7 . . . . 1.41 111.524 -178.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.441 ' HA ' ' HG3' ' B' ' 63' ' ' PRO . 45.3 t -131.65 137.89 48.52 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.391 -0.596 . . . . 1.75 109.391 175.038 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -70.02 116.01 9.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.117 0.484 . . . . 2.87 110.182 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 19.4 m -120.94 135.93 55.08 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.042 -0.527 . . . . 1.72 110.733 -176.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' B' ' 56' ' ' THR . 7.6 p -109.97 117.07 53.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.131 0.491 . . . . 1.51 110.343 178.431 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.451 ' HB2' ' CE2' ' B' ' 54' ' ' PHE . 25.5 p -100.3 121.11 40.97 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.155 -0.475 . . . . 1.66 110.51 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 44.7 t -119.78 138.06 51.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.765 0.317 . . . . 1.03 110.874 -177.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -97.54 95.93 7.96 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.594 -0.891 . . . . 1.61 108.594 171.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.489 HG12 ' H ' ' B' ' 24' ' ' ASP . 48.8 t -82.76 116.02 26.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.907 -0.588 . . . . 0.96 110.939 -174.363 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -97.83 14.67 62.68 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.695 -0.764 . . . . 1.27 112.015 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.489 ' H ' HG12 ' B' ' 22' ' ' VAL . 36.7 t70 -159.51 76.43 0.67 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.245 0.545 . . . . 3.01 110.52 178.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.657 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 59.0 tttp -99.36 111.45 23.81 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.581 -0.896 . . . . 1.32 108.581 173.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.445 ' O ' ' HA ' ' B' ' 37' ' ' THR . 14.5 t -83.2 -29.8 28.26 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.263 0.468 . . . . 1.82 112.263 -170.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 11.4 p -140.99 145.54 36.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.056 0.455 . . . . 1.0 111.829 -176.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.61 162.63 38.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.699 -0.682 . . . . 0.79 109.966 174.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 16.9 m -95.12 118.82 32.58 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.222 -0.444 . . . . 1.01 110.498 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ASP . . . . . 0.421 ' OD2' ' HB3' ' B' ' 100' ' ' ARG . 10.5 t70 -65.98 157.56 30.52 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.094 -0.957 . . . . 1.84 108.963 175.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 17.5 tt -61.95 -20.41 23.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.13 0.49 . . . . 1.33 110.432 178.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -75.02 -8.83 57.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.848 -0.615 . . . . 2.22 110.488 176.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.82 17.95 55.42 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.105 -0.569 . . . . 1.25 111.848 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -103.41 159.19 15.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.697 0.284 . . . . 2.14 110.69 -176.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -99.33 116.7 32.11 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.857 -0.423 . . . . 2.19 109.857 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 31.6 m -117.86 154.58 19.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 120.943 0.401 . . . . 1.01 111.268 -177.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' B' ' 26' ' ' THR . 29.7 m -88.65 115.98 26.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.646 -0.707 . . . . 1.04 110.293 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.657 ' HB ' ' O ' ' B' ' 25' ' ' LYS . 39.6 t -86.25 140.15 16.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.29 -0.414 . . . . 1.1 110.667 -174.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 47.1 mt -109.36 121.5 45.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.192 -0.458 . . . . 1.91 109.917 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.42 -32.03 60.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.214 0.531 . . . . 2.18 109.936 177.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -106.67 115.31 29.99 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.395 -0.965 . . . . 3.59 108.395 176.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.493 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 17.1 m -96.9 126.5 49.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.282 0.563 . . . . 2.39 110.901 -175.612 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -103.3 99.48 9.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.742 -0.663 . . . . 3.25 109.656 178.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 54.2 mt -95.65 -78.34 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.756 -0.378 . . . . 2.77 110.982 -176.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -124.08 65.78 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.366 -0.605 . . . . 3.84 109.366 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 60.87 24.27 14.26 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.528 -0.76 . . . . 4.76 110.416 -175.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 13.2 m -124.86 114.93 19.86 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.117 -0.947 . . . . 3.33 108.588 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 26.3 t -98.62 113.28 32.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.062 0.458 . . . . 2.38 110.635 -177.018 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' PHE . . . . . 0.417 ' O ' HG22 ' B' ' 42' ' ' VAL . 94.9 m-85 -113.63 151.99 30.99 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.619 -0.719 . . . . 4.13 109.36 177.115 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -124.92 153.46 42.64 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.99 0.424 . . . . 4.84 111.191 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.492 ' HB3' ' HD3' ' A' ' 88' ' ' LYS . 8.6 pt20 -142.33 133.95 26.74 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.666 -0.697 . . . . 4.56 110.457 177.007 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -91.97 123.77 35.58 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 109.147 -0.686 . . . . 2.45 109.147 178.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -80.72 113.54 18.99 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.147 0.499 . . . . 1.16 110.368 -175.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' PHE . . . . . 0.451 ' CE2' ' HB2' ' B' ' 19' ' ' SER . 90.6 t80 -83.26 98.56 9.47 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.408 -0.815 . . . . 3.56 109.895 -176.715 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' GLU . . . . . 0.566 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 30.3 mt-10 -111.18 117.17 32.48 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.769 -0.651 . . . . 1.49 110.175 -178.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.498 ' HB ' ' HA ' ' B' ' 107' ' ' ALA . 35.7 m -104.45 118.09 35.76 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.255 -0.43 . . . . 1.07 109.981 177.112 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -111.93 156.23 22.41 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.117 -0.492 . . . . 2.48 110.853 -175.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 63.3 m -80.89 122.14 26.85 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.576 -0.738 . . . . 1.73 110.278 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' ARG . . . . . 0.428 ' O ' ' HB3' ' B' ' 60' ' ' ALA . 81.6 mtp180 -81.49 82.68 7.2 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.081 -0.711 . . . . 3.49 109.081 175.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' B' ' 59' ' ' ARG . . . 76.45 131.54 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 O-C-N 124.522 1.139 . . . . 2.58 110.086 -172.213 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 29.9 p -65.65 -19.62 65.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.852 -0.613 . . . . 2.76 111.802 -175.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -137.69 88.84 15.93 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.032 -0.531 . . . . 2.59 109.763 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' PRO . . . . . 0.441 ' HG3' ' HA ' ' B' ' 15' ' ' CYS . 9.3 Cg_endo -54.51 -38.34 90.11 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.813 2.342 . . . . 2.57 112.532 -178.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 35.3 m -119.07 157.1 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.717 -0.475 . . . . 2.53 109.717 177.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -79.24 72.36 5.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.166 0.507 . . . . 4.2 110.27 -177.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 22.8 t 174.7 -25.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.856 -1.065 . . . . 3.9 108.698 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.79 -109.49 0.47 Allowed Glycine 0 N--CA 1.445 -0.764 0 CA-C-N 115.387 -0.824 . . . . 2.6 111.455 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 72.5 m -110.55 167.63 10.07 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.681 0.277 . . . . 1.74 110.392 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' B' ' 69' ' ' ARG . 45.4 mtt180 -68.34 127.25 32.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 3.95 110.083 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.11 -22.44 40.88 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.844 -0.693 . . . . 1.6 112.216 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 40.9 mm -81.42 117.21 27.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.359 . . . . 1.65 110.608 -179.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -146.63 96.92 2.84 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.818 -0.628 . . . . 3.32 109.876 176.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' SER . . . . . 0.488 ' HB3' ' HB2' ' B' ' 76' ' ' TRP . 46.2 t -155.76 145.39 21.12 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.093 -0.503 . . . . 4.63 109.87 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -74.08 -12.22 60.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.473 -0.785 . . . . 3.06 110.826 -176.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' HIS . . . . . 0.407 ' O ' ' HD2' ' B' ' 114' ' ' ARG . 52.8 m80 -122.88 19.71 10.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.356 -0.384 . . . . 3.51 111.604 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' TRP . . . . . 0.488 ' HB2' ' HB3' ' B' ' 73' ' ' SER . 47.2 m95 -136.75 117.09 13.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.899 0.38 . . . . 3.17 111.088 175.212 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -113.81 133.82 55.16 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.258 -1.015 . . . . 2.7 108.258 171.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.452 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 1.3 m -102.26 145.09 29.94 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.478 -0.489 . . . . 1.93 111.036 -174.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -139.29 135.2 33.59 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.662 -0.496 . . . . 3.73 109.662 170.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.688 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 64.1 m -88.21 129.69 35.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.694 -0.685 . . . . 1.67 110.527 -178.572 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.423 ' O ' HG22 ' B' ' 109' ' ' VAL . 56.1 m -135.32 132.92 38.27 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.294 -0.412 . . . . 2.25 110.334 -179.163 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 20.9 p -80.86 132.5 35.46 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.153 0.501 . . . . 2.78 111.41 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 22.6 m -76.67 126.64 31.33 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.785 -0.643 . . . . 2.69 109.739 177.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' HIS . . . . . 0.488 ' HA ' ' O ' ' B' ' 104' ' ' ILE . 76.0 m80 -106.76 122.05 45.59 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.288 -0.414 . . . . 3.71 110.144 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.638 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 6.5 t -112.65 160.56 17.77 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.431 -0.581 . . . . 1.48 109.431 177.54 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.435 ' CE2' ' HB3' ' B' ' 103' ' ' ARG . 78.5 m-85 -108.5 115.59 30.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.0 0.428 . . . . 1.75 110.317 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 23.6 m -116.47 134.5 59.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.865 -0.607 . . . . 1.08 110.418 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' LYS . . . . . 0.573 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 5.2 ptmm? -80.43 95.23 6.37 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.523 0.677 . . . . 3.82 110.833 178.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -111.54 155.09 23.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.075 -0.966 . . . . 1.13 109.432 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 18.5 tp -72.6 104.52 3.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.064 0.459 . . . . 1.45 109.862 -177.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 91' ' ' THR . . . . . 0.507 HG22 ' HA ' ' B' ' 38' ' ' VAL . 43.7 p -122.45 157.02 32.84 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.079 -0.711 . . . . 1.15 109.079 178.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 10.2 t -111.58 119.32 38.31 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.623 0.725 . . . . 1.32 110.6 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -69.63 -29.42 66.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.299 -0.864 . . . . 2.46 110.381 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -170.95 -71.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.975 -0.557 . . . . 3.09 110.011 178.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -113.62 -26.11 8.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.819 0.343 . . . . 3.3 110.923 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -93.12 138.98 31.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.385 -0.37 . . . . 2.74 110.492 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.27 127.62 47.79 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.179 -0.674 . . . . 1.44 109.179 172.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -146.37 151.36 37.34 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.769 0.318 . . . . 1.39 110.639 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 75.0 m95 -76.47 92.36 3.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.119 -0.491 . . . . 2.35 110.045 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 100' ' ' ARG . . . . . 0.573 ' O ' ' HA ' ' B' ' 88' ' ' LYS . 36.6 mmt180 -95.63 147.18 23.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.709 -0.678 . . . . 3.48 110.027 -177.164 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -81.71 105.48 12.88 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.631 -0.507 . . . . 1.98 109.631 177.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 36.2 pt -113.5 146.94 17.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.217 -0.447 . . . . 0.86 110.908 -176.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 103' ' ' ARG . . . . . 0.638 ' HA ' ' O ' ' B' ' 85' ' ' THR . 38.3 ptt180 -84.28 124.65 31.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.694 -0.685 . . . . 3.72 111.319 -177.442 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 104' ' ' ILE . . . . . 0.488 ' O ' ' HA ' ' B' ' 84' ' ' HIS . 40.5 pt -123.64 152.34 28.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.036 -0.529 . . . . 0.83 110.783 176.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 105' ' ' ASP . . . . . 0.566 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 4.3 m-20 -82.99 110.67 18.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.587 -0.733 . . . . 1.69 109.851 178.585 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 106' ' ' THR . . . . . 0.511 ' HB ' ' HB ' ' A' ' 106' ' ' THR . 24.4 p -90.42 -43.98 9.93 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.074 0.398 . . . . 2.29 112.074 -175.098 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 107' ' ' ALA . . . . . 0.498 ' HA ' ' HB ' ' B' ' 56' ' ' THR . . . -155.89 155.5 32.99 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.553 -0.294 . . . . 1.15 110.686 -177.519 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 108' ' ' CYS . . . . . 0.688 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 42.1 t -100.38 113.36 26.05 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.406 -0.59 . . . . 1.56 109.406 176.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.423 HG22 ' O ' ' B' ' 81' ' ' THR . 18.2 m -102.58 146.31 10.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.979 0.418 . . . . 1.08 110.631 -176.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 41.7 t -96.32 115.97 28.28 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.845 -0.616 . . . . 1.45 109.478 176.201 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 9.9 m -115.52 145.57 21.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.363 -0.38 . . . . 1.52 110.145 178.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 61.4 mt -101.18 156.28 17.52 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.975 -0.557 . . . . 1.67 110.871 -174.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 15.4 p -127.82 139.74 52.46 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.157 -0.928 . . . . 2.62 108.768 173.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 114' ' ' ARG . . . . . 0.407 ' HD2' ' O ' ' B' ' 75' ' ' HIS . 28.5 tpt180 . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 116.309 -0.405 . . . . 6.72 110.656 -173.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 . . . . . 0 CA--C 1.52 -0.176 0 CA-C-O 120.767 0.318 . . . . 3.65 110.365 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.1 t -151.97 161.61 42.37 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.131 -0.486 . . . . 2.42 109.876 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 m -75.57 -17.35 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.954 -0.566 . . . . 1.41 110.711 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 97.7 m -123.15 124.64 43.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.785 -0.643 . . . . 1.75 109.876 176.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.97 115.49 2.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 2.87 110.566 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.5 m -124.96 130.21 51.9 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.129 -0.487 . . . . 1.72 110.415 -177.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' A' ' 56' ' ' THR . 7.1 p -112.47 115.54 50.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.133 0.492 . . . . 1.51 110.716 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 47.9 m -89.87 117.43 28.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.303 -0.408 . . . . 1.66 110.067 177.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.2 t -118.97 138.41 49.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.141 -0.482 . . . . 1.03 110.066 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -102.69 95.79 6.45 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.241 -0.652 . . . . 1.61 109.241 175.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.0 t -93.69 108.68 20.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.5 -0.773 . . . . 0.96 110.487 -175.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.39 11.25 58.24 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.404 -0.903 . . . . 1.27 112.032 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -132.71 29.58 4.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.709 0.29 . . . . 3.02 110.838 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.634 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 85.6 tttt -75.92 108.5 8.84 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.122 -0.695 . . . . 1.32 109.122 177.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.1 t -95.05 -7.79 38.58 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.037 0.384 . . . . 1.82 112.037 -173.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.4 p -141.54 134.17 28.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.723 0.297 . . . . 1.01 110.966 177.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.49 161.26 40.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.184 -0.462 . . . . 0.79 110.507 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.0 m -96.34 116.98 29.91 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.175 0.512 . . . . 1.02 110.788 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.409 ' CG ' HH21 ' A' ' 100' ' ' ARG . 20.8 t70 -65.72 164.89 13.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.079 -0.964 . . . . 1.85 110.758 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.464 ' HA ' ' CE2' ' A' ' 86' ' ' PHE . 16.0 tt -61.05 -28.89 44.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.671 0.272 . . . . 1.33 111.199 -179.558 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -78.22 -11.45 59.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.454 -0.339 . . . . 2.22 110.87 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.57 14.92 36.19 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.753 -0.736 . . . . 1.25 112.565 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -94.3 141.61 28.37 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.433 -0.21 . . . . 2.14 110.433 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -85.74 115.19 23.25 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.909 -0.775 . . . . 2.19 108.909 173.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 m -115.54 153.62 17.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.057 -0.52 . . . . 1.02 111.002 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.7 m -88.69 108.63 19.57 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.384 -0.825 . . . . 1.04 110.515 -177.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.634 ' HB ' ' O ' ' A' ' 25' ' ' LYS . 15.6 t -79.4 136.87 22.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.089 -0.708 . . . . 1.1 109.089 178.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.0 mt -82.35 2.82 30.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.723 -0.217 . . . . 1.91 111.42 -176.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.568 ' H ' HG12 ' A' ' 38' ' ' VAL . . . 69.64 -45.97 0.58 Allowed 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.926 0.89 . . . . 2.18 111.677 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -127.09 149.82 49.76 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.386 -0.598 . . . . 3.59 109.386 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.7 m -96.85 124.68 49.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.545 -0.539 . . . . 2.4 109.545 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -78.43 149.2 33.32 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.519 -0.549 . . . . 3.25 109.519 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.464 ' HB ' ' HB ' ' A' ' 48' ' ' VAL . 14.6 tt -71.45 77.05 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-O 122.061 0.934 . . . . 2.77 112.66 -171.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -90.1 -3.67 57.78 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.71 -1.219 . . . . 3.84 107.71 163.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.417 ' HB2' ' HB2' ' B' ' 46' ' ' ASN . 2.7 t-20 -163.98 -46.93 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 113.862 -1.517 . . . . 4.76 108.371 176.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.6 p -147.18 159.25 43.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.534 -0.757 . . . . 3.33 109.566 177.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.464 ' HB ' ' HB ' ' A' ' 44' ' ' ILE . 4.1 p -123.81 112.62 33.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.473 0.654 . . . . 2.37 110.776 177.659 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -145.8 140.31 27.02 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.472 -0.786 . . . . 4.13 110.094 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 50' ' ' ARG . 13.1 ttm180 -78.26 127.89 32.91 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.35 -0.611 . . . . 4.84 109.35 173.236 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.85 90.02 6.89 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.26 -0.427 . . . . 4.56 110.46 -175.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -75.38 122.28 23.53 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.233 -0.655 . . . . 2.46 109.233 173.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -96.74 118.84 34.06 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.039 -0.528 . . . . 1.16 110.173 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -83.9 93.74 8.09 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.543 0.687 . . . . 3.56 109.422 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.455 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 16.6 mt-10 -108.67 107.92 18.57 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.653 -0.703 . . . . 1.49 110.137 -176.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.533 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 42.3 m -96.02 104.66 16.62 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.599 -0.728 . . . . 1.07 109.568 176.359 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -102.75 151.75 22.03 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.561 -0.745 . . . . 2.48 110.331 -174.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.6 t -89.82 125.27 35.26 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.065 -0.516 . . . . 1.73 110.581 -176.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -96.99 16.02 20.71 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.037 -0.529 . . . . 3.48 110.372 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -146.76 172.41 13.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.787 -0.642 . . . . 2.58 110.331 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.1 m -140.45 -48.51 0.44 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.457 -0.571 . . . . 2.76 109.457 176.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -137.04 89.75 16.44 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 108.826 -0.805 . . . . 2.59 108.826 173.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -50.03 -31.26 27.16 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 123.456 2.771 . . . . 2.57 113.567 -177.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 36.0 m -124.49 -177.95 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.981 -0.287 . . . . 2.53 110.542 174.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -46.87 -45.02 20.06 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 113.023 0.749 . . . . 4.19 113.023 -175.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.459 ' HB3' ' OG ' ' A' ' 73' ' ' SER . 21.2 t -146.44 54.7 1.13 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.144 0.497 . . . . 3.9 110.401 -178.515 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.87 -156.02 26.84 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.405 -0.902 . . . . 2.6 112.617 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 71.7 m -100.55 160.92 13.96 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.316 -0.253 . . . . 1.73 110.316 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 33.8 mtm-85 -67.66 126.48 29.51 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.835 0.35 . . . . 3.94 110.8 -177.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.77 -29.76 11.82 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.992 -0.623 . . . . 1.61 111.903 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.2 mm -73.43 137.47 23.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 122.63 0.372 . . . . 1.65 111.228 -176.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -70.91 96.38 1.27 Allowed 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.115 -0.493 . . . . 3.32 110.596 175.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.575 ' HA ' ' O ' ' A' ' 76' ' ' TRP . 11.1 t -63.87 -16.29 61.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.211 0.529 . . . . 4.63 110.635 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -66.05 -28.79 69.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 3.06 111.391 176.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 61.6 t-80 -119.83 -27.76 5.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.727 0.299 . . . . 3.51 110.969 -176.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.575 ' O ' ' HA ' ' A' ' 73' ' ' SER . 97.3 m95 -124.73 133.7 53.09 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.083 0.468 . . . . 3.17 111.327 -175.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -103.44 134.48 46.74 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.643 -1.243 . . . . 2.69 107.643 167.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.703 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 1.3 m -128.11 147.95 50.56 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.72 0.295 . . . . 1.93 111.207 -171.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.474 ' O ' HG22 ' A' ' 111' ' ' VAL . 75.1 t80 -143.45 135.33 26.62 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.912 -0.586 . . . . 3.73 109.685 176.275 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.799 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 64.4 m -81.72 111.84 18.34 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.997 -0.547 . . . . 1.67 110.494 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.0 m -116.98 128.41 55.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.856 -0.611 . . . . 2.24 110.418 -176.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.1 m -87.42 119.61 27.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.952 0.406 . . . . 2.78 110.895 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.3 m -77.47 143.54 38.43 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.59 -0.522 . . . . 2.69 109.59 174.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -118.87 137.43 53.44 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.777 -0.453 . . . . 3.71 109.777 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.67 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 13.3 t -118.79 172.13 7.74 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.827 -0.435 . . . . 1.48 109.827 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.535 ' CE2' ' HB3' ' A' ' 103' ' ' ARG . 97.5 m-85 -119.42 124.94 47.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.791 0.329 . . . . 1.75 111.009 -174.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.3 m -120.35 145.36 26.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.998 -0.546 . . . . 1.08 110.658 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -83.43 113.66 20.91 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.523 0.678 . . . . 3.82 110.697 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.7 157.0 42.58 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.6 -0.727 . . . . 1.13 110.517 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.8 tp -83.13 106.91 15.32 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.436 -0.579 . . . . 1.45 109.436 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.6 p -118.16 147.67 43.11 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.737 -0.665 . . . . 1.14 110.535 -176.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 96' ' ' GLN . 9.0 t -105.0 118.56 36.84 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.68 0.752 . . . . 1.32 111.01 -178.483 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -86.66 88.53 7.68 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.455 -0.943 . . . . 2.47 108.455 174.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 69.23 -70.01 0.15 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.08 -0.963 . . . . 3.09 110.913 -173.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -137.08 2.29 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.668 0.247 . . . . 3.29 111.668 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' A' ' 92' ' ' THR . 57.9 tp60 -102.64 108.56 19.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.621 0.248 . . . . 2.74 110.959 -177.232 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.24 108.63 15.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.46 -0.337 . . . . 1.44 110.391 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -135.7 151.26 50.0 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.23 -0.441 . . . . 1.38 110.871 -177.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 81.9 m95 -77.44 118.45 19.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.986 -0.552 . . . . 2.35 110.199 178.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.409 HH21 ' CG ' ' A' ' 30' ' ' ASP . 17.1 mtp180 -129.27 162.84 26.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.203 -0.453 . . . . 3.48 110.365 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -97.79 111.81 23.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.061 -0.518 . . . . 1.98 109.857 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 23.2 pt -113.57 149.04 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.156 -0.475 . . . . 0.86 110.617 -176.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.67 ' HA ' ' O ' ' A' ' 85' ' ' THR . 19.5 ptp180 -89.13 137.69 32.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.312 0.577 . . . . 3.71 111.381 -174.169 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 30.2 pt -131.5 151.59 35.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.328 -0.851 . . . . 0.83 110.236 176.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.455 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 1.6 m-20 -64.82 121.3 14.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.771 -0.65 . . . . 1.69 109.509 177.301 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.514 ' O ' ' HB ' ' A' ' 56' ' ' THR . 2.3 m -97.65 -53.0 3.57 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.338 -0.392 . . . . 2.29 111.689 -172.481 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -166.78 157.86 12.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.386 -0.37 . . . . 1.14 110.186 -178.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.799 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 51.7 t -105.5 117.8 34.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.861 0.363 . . . . 1.56 110.036 177.697 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 26.3 m -105.02 150.25 7.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.111 -0.495 . . . . 1.07 110.533 -177.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.703 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 43.3 t -97.56 101.73 13.33 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.298 -0.63 . . . . 1.45 109.298 177.077 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.598 ' O ' ' HA ' ' A' ' 78' ' ' SER . 25.8 m -76.39 134.75 28.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.33 -0.395 . . . . 1.52 110.097 -178.415 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 97.3 mt -107.92 138.27 44.47 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.993 0.425 . . . . 1.67 110.476 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.2 p -134.4 146.96 50.36 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.684 -0.689 . . . . 2.62 109.172 174.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 . . . . . 0 C--N 1.325 -0.481 0 CA-C-O 120.954 0.407 . . . . 6.73 110.676 -175.939 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 120.714 0.293 . . . . 3.65 110.261 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 28.9 t -151.98 161.71 42.22 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.757 -0.46 . . . . 2.42 109.757 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 m -75.82 -17.06 15.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.897 -0.592 . . . . 1.41 110.683 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 97.1 m -123.22 124.48 43.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.814 -0.63 . . . . 1.75 109.9 176.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.06 115.27 2.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 2.87 110.511 -178.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 21.1 m -124.58 130.72 52.98 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.959 -0.564 . . . . 1.72 110.406 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' B' ' 56' ' ' THR . 7.1 p -112.78 115.52 50.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.101 0.477 . . . . 1.51 110.55 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.421 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 50.3 m -89.66 117.37 28.48 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.206 -0.452 . . . . 1.66 110.151 177.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 56.8 t -118.88 138.28 50.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.205 -0.452 . . . . 1.03 110.086 -179.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 83.7 m95 -102.6 95.71 6.41 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.386 -0.598 . . . . 1.61 109.386 175.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 21.9 t -93.76 108.69 20.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.441 -0.799 . . . . 0.96 110.468 -175.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.53 11.52 58.07 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.489 -0.862 . . . . 1.27 112.107 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -133.16 29.54 4.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.705 0.288 . . . . 3.01 110.865 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.634 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 85.7 tttt -75.78 108.46 8.66 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.089 -0.708 . . . . 1.32 109.089 177.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 11.3 t -95.15 -7.87 37.99 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.021 0.378 . . . . 1.82 112.021 -173.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.3 p -141.37 134.42 29.16 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.696 0.284 . . . . 1.0 110.931 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.77 160.91 41.66 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.286 -0.416 . . . . 0.79 110.577 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 16.9 m -95.94 117.07 29.9 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.122 0.487 . . . . 1.01 110.842 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ASP . . . . . 0.428 ' CG ' HH21 ' B' ' 100' ' ' ARG . 21.6 t70 -65.97 164.76 14.51 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.025 -0.989 . . . . 1.84 110.711 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.464 ' HA ' ' CE2' ' B' ' 86' ' ' PHE . 16.2 tt -60.71 -28.98 44.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.842 0.353 . . . . 1.33 111.158 -179.529 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -78.28 -11.21 59.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.936 0.398 . . . . 2.22 111.064 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.89 13.79 38.94 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.798 -0.715 . . . . 1.25 112.604 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -93.7 141.5 28.42 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.357 -0.238 . . . . 2.14 110.357 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -85.42 115.53 23.21 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.87 -0.789 . . . . 2.19 108.87 173.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 29.8 m -116.03 153.78 17.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-O 121.047 0.451 . . . . 1.01 111.085 -176.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 22.8 m -88.61 108.42 19.43 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.425 -0.807 . . . . 1.04 110.48 -177.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.634 ' HB ' ' O ' ' B' ' 25' ' ' LYS . 15.4 t -79.34 136.91 22.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.156 -0.683 . . . . 1.1 109.156 178.597 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 97.1 mt -82.29 2.55 31.51 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.623 -0.262 . . . . 1.91 111.282 -176.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.574 ' H ' HG12 ' B' ' 38' ' ' VAL . . . 69.81 -46.17 0.59 Allowed 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.89 0.876 . . . . 2.18 111.65 -178.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -127.02 149.87 49.7 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.355 -0.609 . . . . 3.59 109.355 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 16.9 m -96.95 124.8 49.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.557 -0.535 . . . . 2.39 109.557 177.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -78.44 149.31 33.29 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.51 -0.552 . . . . 3.25 109.51 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.484 ' HB ' ' HB ' ' B' ' 48' ' ' VAL . 14.4 tt -71.66 76.73 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-O 122.143 0.973 . . . . 2.77 112.836 -172.024 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -90.02 -3.5 57.94 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.712 -1.218 . . . . 3.84 107.712 164.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.417 ' HB2' ' HB2' ' A' ' 46' ' ' ASN . 2.8 t-20 -164.14 -46.92 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 113.931 -1.486 . . . . 4.76 108.375 176.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 18.2 p -147.28 159.08 44.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.527 -0.76 . . . . 3.33 109.645 177.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.484 ' HB ' ' HB ' ' B' ' 44' ' ' ILE . 4.3 p -123.74 112.64 33.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.472 0.653 . . . . 2.38 110.878 177.643 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -145.83 140.95 27.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.47 -0.787 . . . . 4.13 110.085 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' B' ' 50' ' ' ARG . 13.0 ttm180 -79.18 127.81 32.5 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.188 -0.671 . . . . 4.84 109.188 173.686 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.69 89.99 6.8 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.333 -0.394 . . . . 4.56 110.429 -175.381 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -75.31 122.12 23.23 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.248 -0.649 . . . . 2.45 109.248 173.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -96.6 118.89 34.04 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.128 -0.487 . . . . 1.16 110.154 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -83.95 93.75 8.11 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.515 0.674 . . . . 3.56 109.608 176.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' GLU . . . . . 0.454 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 16.8 mt-10 -108.58 107.82 18.47 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.709 -0.678 . . . . 1.49 110.157 -176.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.522 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 43.9 m -96.04 104.79 16.75 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.602 -0.726 . . . . 1.07 109.462 176.455 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -102.88 151.91 21.9 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.695 -0.684 . . . . 2.48 110.223 -174.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 4.6 t -90.06 125.66 35.5 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.112 0.482 . . . . 1.73 110.473 -176.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -97.23 15.98 21.19 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.812 -0.631 . . . . 3.49 110.3 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -146.93 172.46 13.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.828 -0.623 . . . . 2.58 110.268 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 42.8 m -140.78 -48.32 0.42 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.515 -0.55 . . . . 2.76 109.515 176.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -137.36 89.8 15.75 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 108.73 -0.841 . . . . 2.59 108.73 173.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -50.11 -31.16 27.38 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.543 2.829 . . . . 2.57 113.613 -177.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 35.8 m -124.54 -177.99 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.985 -0.286 . . . . 2.53 110.529 174.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -46.72 -45.39 19.54 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.887 0.699 . . . . 4.2 112.887 -175.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' SER . . . . . 0.454 ' HB3' ' OG ' ' B' ' 73' ' ' SER . 22.2 t -146.09 54.8 1.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.321 0.581 . . . . 3.9 110.376 -178.388 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.86 -156.03 26.84 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.329 -0.939 . . . . 2.6 112.595 177.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 71.4 m -100.44 161.05 13.86 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.281 -0.266 . . . . 1.74 110.281 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 33.9 mtm-85 -67.95 126.33 29.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.83 0.348 . . . . 3.95 110.841 -177.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.81 -29.64 12.07 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.937 -0.649 . . . . 1.6 112.05 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 49.3 mm -73.47 137.78 22.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 122.454 0.302 . . . . 1.65 111.206 -177.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -71.2 96.45 1.39 Allowed 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.085 -0.507 . . . . 3.32 110.661 175.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' SER . . . . . 0.586 ' HA ' ' O ' ' B' ' 76' ' ' TRP . 11.0 t -63.9 -16.27 61.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.295 0.569 . . . . 4.63 110.588 178.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -65.84 -29.22 69.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.079 -0.51 . . . . 3.06 111.487 176.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -119.6 -27.51 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.785 0.326 . . . . 3.51 111.067 -176.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' TRP . . . . . 0.586 ' O ' ' HA ' ' B' ' 73' ' ' SER . 97.5 m95 -124.79 133.77 53.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.116 0.484 . . . . 3.17 111.333 -176.084 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -103.37 134.45 46.73 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.735 -1.209 . . . . 2.7 107.735 167.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.693 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 1.3 m -128.12 148.13 50.57 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.769 0.319 . . . . 1.93 111.328 -171.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 79' ' ' TYR . . . . . 0.464 ' O ' HG22 ' B' ' 111' ' ' VAL . 74.9 t80 -143.53 135.36 26.51 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.793 -0.639 . . . . 3.73 109.717 176.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.792 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 64.7 m -81.91 111.48 18.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.094 -0.503 . . . . 1.67 110.496 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 24.8 m -116.84 128.12 54.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.825 -0.625 . . . . 2.25 110.3 -176.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 23.0 m -86.6 120.17 27.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.865 0.364 . . . . 2.78 111.12 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 13.6 m -77.91 143.44 37.71 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.569 -0.53 . . . . 2.69 109.569 174.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -118.85 137.34 53.49 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.83 -0.433 . . . . 3.71 109.83 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.657 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 13.4 t -118.53 172.28 7.59 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.753 -0.462 . . . . 1.48 109.753 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.535 ' CE2' ' HB3' ' B' ' 103' ' ' ARG . 97.4 m-85 -119.51 124.91 47.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.827 0.346 . . . . 1.75 110.977 -174.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 m -120.26 145.54 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.926 -0.579 . . . . 1.08 110.756 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -83.59 113.61 20.95 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 121.593 0.711 . . . . 3.82 110.736 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.74 157.04 42.51 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.589 -0.732 . . . . 1.13 110.553 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 31.7 tp -83.06 106.92 15.26 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.416 -0.587 . . . . 1.45 109.416 177.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 52.8 p -118.26 147.51 43.36 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.738 -0.665 . . . . 1.15 110.447 -176.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 92' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' B' ' 96' ' ' GLN . 9.3 t -104.74 118.71 37.23 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.505 0.669 . . . . 1.32 110.979 -178.47 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -86.88 88.91 7.8 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.453 -0.943 . . . . 2.46 108.453 173.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 68.95 -69.68 0.15 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.084 -0.962 . . . . 3.09 111.052 -173.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -137.59 2.5 2.45 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.7 0.259 . . . . 3.3 111.7 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 96' ' ' GLN . . . . . 0.455 ' O ' ' HA ' ' B' ' 92' ' ' THR . 57.8 tp60 -103.04 108.38 19.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.565 0.222 . . . . 2.74 110.873 -177.204 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.22 108.83 15.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.34 -0.391 . . . . 1.44 110.202 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -135.76 151.19 49.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.203 -0.453 . . . . 1.39 110.88 -177.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 80.9 m95 -77.27 118.92 20.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.93 -0.577 . . . . 2.35 110.186 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 100' ' ' ARG . . . . . 0.428 HH21 ' CG ' ' B' ' 30' ' ' ASP . 17.1 mtp180 -129.72 162.4 28.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.227 -0.442 . . . . 3.48 110.503 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -97.31 111.96 23.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.099 -0.501 . . . . 1.98 109.931 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 23.5 pt -113.71 149.13 16.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.236 -0.438 . . . . 0.86 110.513 -176.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 103' ' ' ARG . . . . . 0.657 ' HA ' ' O ' ' B' ' 85' ' ' THR . 19.4 ptp180 -89.11 137.73 32.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.277 0.56 . . . . 3.72 111.457 -174.274 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 30.4 pt -131.62 151.47 35.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.349 -0.841 . . . . 0.83 110.299 175.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 105' ' ' ASP . . . . . 0.454 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 1.6 m-20 -64.61 121.03 13.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.805 -0.634 . . . . 1.69 109.577 177.251 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 106' ' ' THR . . . . . 0.522 ' O ' ' HB ' ' B' ' 56' ' ' THR . 2.4 m -97.53 -53.05 3.56 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.403 -0.362 . . . . 2.29 111.658 -172.396 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -166.51 157.99 13.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 1.15 110.269 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 108' ' ' CYS . . . . . 0.792 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 51.5 t -105.56 117.74 34.78 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.951 0.405 . . . . 1.56 110.018 177.618 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 26.3 m -104.93 150.31 7.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.074 -0.512 . . . . 1.08 110.625 -177.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.693 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 43.5 t -97.66 101.7 13.28 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.243 -0.651 . . . . 1.45 109.243 177.13 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.595 ' O ' ' HA ' ' B' ' 78' ' ' SER . 25.2 m -76.28 135.19 27.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.31 -0.404 . . . . 1.52 110.091 -178.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 96.9 mt -108.3 138.21 44.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.875 0.369 . . . . 1.67 110.399 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 24.4 p -134.33 146.82 50.32 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.213 -0.662 . . . . 2.62 109.213 174.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 . . . . . 0 C--N 1.325 -0.488 0 CA-C-O 120.909 0.385 . . . . 6.72 110.755 -175.943 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.224 -0.658 . . . . 3.65 109.224 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.3 p -75.01 133.69 41.61 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.109 -0.951 . . . . 2.42 110.419 -178.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.436 ' O ' ' HB2' ' A' ' 68' ' ' CYS . 28.3 m -59.82 -24.19 28.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.037 -0.529 . . . . 1.41 110.879 177.511 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.569 ' SG ' ' HB2' ' A' ' 110' ' ' CYS . 62.7 m -129.06 118.98 23.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.435 -0.802 . . . . 1.75 109.178 175.287 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -54.99 118.22 4.11 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 123.438 0.461 . . . . 2.87 110.76 -178.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.421 ' HB3' HG22 ' A' ' 56' ' ' THR . 30.6 m -126.72 149.6 49.5 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.082 -0.508 . . . . 1.72 110.516 -177.633 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.538 ' O ' ' HA ' ' A' ' 56' ' ' THR . 7.1 p -122.3 132.0 72.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.411 -0.359 . . . . 1.51 111.06 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.8 m -91.48 124.03 35.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.788 0.328 . . . . 1.66 110.265 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.0 t -125.54 138.25 55.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.354 -0.384 . . . . 1.03 110.913 -175.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 93.9 m95 -103.11 96.51 6.84 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.037 -0.727 . . . . 1.61 109.037 172.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.6 t -84.71 109.03 17.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.861 -0.608 . . . . 0.96 110.566 -176.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.35 19.14 55.1 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.681 -0.771 . . . . 1.27 111.971 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -174.1 84.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.652 -0.499 . . . . 3.02 109.652 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -89.89 -17.15 28.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.517 -0.311 . . . . 1.32 111.441 -175.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.7 p 63.42 -54.24 0.2 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.053 1.341 . . . . 1.82 113.669 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.3 p -134.4 143.31 47.53 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.81 0.338 . . . . 1.01 111.099 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.453 ' HB1' ' HB ' ' A' ' 102' ' ' ILE . . . -151.17 156.29 40.65 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.208 -0.451 . . . . 0.79 110.717 177.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 56.4 m -99.92 120.52 39.92 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.082 -0.508 . . . . 1.02 111.237 -176.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.434 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 21.5 t70 -71.71 164.02 26.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.212 -0.904 . . . . 1.85 110.264 178.09 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.4 tt -57.64 -22.84 18.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 122.944 0.498 . . . . 1.33 111.834 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.407 ' HG3' ' OD1' ' A' ' 30' ' ' ASP . 35.8 mttp -82.46 -2.75 54.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.956 0.408 . . . . 2.22 110.912 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.56 17.79 57.93 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.963 -0.637 . . . . 1.25 111.746 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -93.77 131.26 39.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.699 0.285 . . . . 2.14 110.935 -178.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -86.61 114.71 23.55 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.846 -0.798 . . . . 2.19 108.846 176.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.4 m -122.9 156.98 28.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.118 0.485 . . . . 1.02 111.711 -174.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.5 m -83.45 117.96 23.42 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.307 -0.861 . . . . 1.04 110.41 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.401 ' HA ' HG22 ' A' ' 91' ' ' THR . 89.4 t -87.37 130.74 36.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.941 -0.572 . . . . 1.1 110.64 -177.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.4 mt -88.38 113.6 24.15 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.523 -0.547 . . . . 1.91 109.523 177.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.15 -31.19 72.25 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.462 0.649 . . . . 2.18 109.684 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.514 ' HA ' ' HA ' ' A' ' 50' ' ' ARG . 39.0 mt-10 -115.74 115.29 26.07 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 114.922 -1.035 . . . . 3.59 108.756 174.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.508 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 25.6 m -93.06 139.1 18.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.244 0.545 . . . . 2.4 111.253 -173.214 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -101.08 99.64 10.11 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.368 -0.833 . . . . 3.25 109.721 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 52.5 mt -106.8 86.69 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.973 0.416 . . . . 2.77 110.256 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 55.9 t30 61.27 63.71 1.18 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.572 -0.74 . . . . 3.84 110.449 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.7 m120 64.03 20.61 12.27 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.283 -0.871 . . . . 4.76 111.6 176.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.9 t -129.4 118.4 22.12 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.358 -0.608 . . . . 3.33 109.358 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.508 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 39.5 t -101.37 130.59 50.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.051 0.453 . . . . 2.37 111.527 -174.575 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.427 ' O ' HG22 ' A' ' 42' ' ' VAL . 79.6 m-85 -137.07 133.55 35.55 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.75 -0.659 . . . . 4.13 109.287 174.341 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.514 ' HA ' ' HA ' ' A' ' 41' ' ' GLU . 27.8 ptt180 -82.51 145.06 29.99 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.32 -0.552 . . . . 4.84 109.878 179.318 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.448 ' OE1' ' HE3' ' B' ' 88' ' ' LYS . 86.8 mm-40 -120.12 154.46 34.68 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.001 -0.545 . . . . 4.56 111.536 -172.095 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -122.82 151.35 41.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.579 -0.737 . . . . 2.46 109.378 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -122.71 123.23 40.63 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.995 -0.372 . . . . 1.16 109.995 176.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -85.1 103.16 13.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.982 0.42 . . . . 3.56 110.388 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -100.91 162.78 12.66 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.411 0.624 . . . . 1.49 110.123 175.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.572 ' HB ' ' C ' ' A' ' 106' ' ' THR . 50.7 m -140.89 100.44 3.83 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 107.687 -1.227 . . . . 1.07 107.687 169.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -101.71 147.36 26.55 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.1 -0.954 . . . . 2.48 109.74 -165.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.86 116.05 21.34 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.317 0.579 . . . . 1.73 110.54 -173.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -75.93 -34.52 59.89 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.411 -0.813 . . . . 3.48 110.296 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -135.62 113.61 11.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.798 -0.637 . . . . 2.58 110.853 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.9 t -69.88 -24.65 63.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.079 -0.51 . . . . 2.76 110.032 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -147.79 87.92 5.74 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.64 -0.709 . . . . 2.59 109.58 174.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.434 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 52.9 Cg_exo -53.46 -38.41 83.09 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.069 2.513 . . . . 2.57 112.876 -177.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.8 m -118.09 154.92 20.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.734 -0.469 . . . . 2.53 109.734 178.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 66' ' ' SER . 36.4 tt0 -81.2 70.92 8.15 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.992 0.425 . . . . 4.19 111.072 -173.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.433 ' HB2' ' O ' ' A' ' 65' ' ' GLU . 4.9 t 175.75 -39.29 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.362 -0.835 . . . . 3.9 109.043 178.19 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -169.72 -118.4 0.45 Allowed Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.447 -0.797 . . . . 2.6 111.161 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 14' ' ' VAL . 24.7 p -126.48 -178.6 4.41 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.408 -0.59 . . . . 1.73 109.408 174.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -72.19 132.37 44.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.74 0.305 . . . . 3.94 111.055 -175.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.38 -42.76 2.19 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.891 -0.671 . . . . 1.61 113.693 173.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.3 mm -59.9 132.97 25.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 112.209 0.448 . . . . 1.65 112.209 -175.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.412 ' OD1' ' HB3' ' A' ' 74' ' ' LYS . 21.5 t70 -71.44 99.76 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.864 -0.607 . . . . 3.32 109.416 172.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.701 ' HA ' ' O ' ' A' ' 76' ' ' TRP . 5.2 t -77.76 -4.29 45.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.911 -0.586 . . . . 4.63 111.037 -174.58 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.412 ' HB3' ' OD1' ' A' ' 72' ' ' ASP . 38.8 ttmt -66.3 -40.74 90.2 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.421 0.629 . . . . 3.06 109.534 174.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -96.82 -38.36 9.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.657 -0.702 . . . . 3.51 110.951 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.701 ' O ' ' HA ' ' A' ' 73' ' ' SER . 87.9 m95 -118.52 134.19 55.28 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.189 0.519 . . . . 3.17 112.032 -171.1 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -95.38 134.74 37.84 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.803 -1.184 . . . . 2.69 107.803 169.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.69 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 3.7 m -125.64 147.8 49.2 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.362 -0.535 . . . . 1.93 112.179 -170.121 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -151.21 147.82 27.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.338 -0.846 . . . . 3.73 108.95 170.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.641 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 35.4 m -94.45 130.71 40.71 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.155 -0.475 . . . . 1.67 111.082 -174.238 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.0 m -126.97 135.3 50.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.902 -0.59 . . . . 2.24 109.716 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 108' ' ' CYS . 21.1 p -79.54 134.21 36.48 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 121.21 0.529 . . . . 2.78 111.809 -177.536 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.6 m -92.14 124.53 36.29 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.547 -0.751 . . . . 2.69 109.136 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.429 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 2.3 p-80 -119.67 136.26 54.48 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.08 0.467 . . . . 3.71 111.47 -176.56 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.574 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 14.6 t -111.85 164.27 13.27 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.43 -0.804 . . . . 1.48 109.402 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -103.27 116.78 33.11 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.917 0.389 . . . . 1.75 109.973 -177.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.468 HG12 HG12 ' B' ' 87' ' ' VAL . 26.9 m -109.83 152.74 11.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.999 -0.546 . . . . 1.08 111.046 -176.432 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.439 ' HE3' ' OE1' ' B' ' 51' ' ' GLN . 42.8 mttp -86.26 109.56 19.02 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.452 -0.794 . . . . 3.82 110.197 -177.184 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.5 139.1 52.5 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.114 -0.494 . . . . 1.13 110.945 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 35.6 tp -75.35 114.74 14.23 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.233 -0.654 . . . . 1.45 109.233 176.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.401 HG22 ' HA ' ' A' ' 38' ' ' VAL . 77.5 p -122.37 166.7 14.29 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.048 -0.523 . . . . 1.14 110.56 -175.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.1 t -123.27 110.54 15.34 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.444 0.64 . . . . 1.32 110.049 176.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -77.41 -45.77 24.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.775 -0.648 . . . . 2.47 110.234 -178.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -125.32 -76.05 0.59 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.252 -0.431 . . . . 3.09 110.784 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -123.07 -48.6 1.99 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.865 0.364 . . . . 3.29 111.107 -177.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -78.34 177.03 8.77 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.118 -0.492 . . . . 2.74 110.869 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -122.07 132.41 54.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.095 -0.502 . . . . 1.44 110.848 -177.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -141.78 146.74 36.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.917 -0.583 . . . . 1.38 110.37 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 17.2 m-90 -74.73 119.34 18.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.147 -0.479 . . . . 2.35 111.276 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -110.17 169.5 8.69 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.628 -0.715 . . . . 3.48 109.789 176.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.434 ' O ' ' HA ' ' A' ' 30' ' ' ASP . 27.3 m-85 -111.32 101.95 10.38 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.316 -0.994 . . . . 1.98 108.316 179.241 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.453 ' HB ' ' HB1' ' A' ' 28' ' ' ALA . 37.8 pt -111.5 142.91 22.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.079 0.466 . . . . 0.86 111.062 -168.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.574 ' HA ' ' O ' ' A' ' 85' ' ' THR . 35.9 ptt180 -83.82 125.45 31.96 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.79 -0.641 . . . . 3.71 111.395 -174.648 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.429 ' O ' ' HA ' ' A' ' 84' ' ' HIS . 42.8 pt -121.88 134.25 65.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.723 -0.672 . . . . 0.83 109.668 173.131 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.424 ' HB3' ' HB ' ' A' ' 82' ' ' THR . 17.6 m-20 -80.09 113.44 18.26 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.371 -0.603 . . . . 1.69 109.371 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.572 ' C ' ' HB ' ' A' ' 56' ' ' THR . 7.4 t -123.08 22.72 9.46 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.096 0.474 . . . . 2.29 111.048 -171.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -174.76 156.24 2.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.006 -0.543 . . . . 1.14 109.982 176.541 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.641 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 48.5 t -130.71 113.47 14.19 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.227 -0.657 . . . . 1.56 109.227 172.387 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.0 m -106.46 145.91 13.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.959 -0.564 . . . . 1.07 110.866 -174.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.69 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 42.7 t -92.74 116.28 28.88 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.328 -0.619 . . . . 1.45 109.328 177.089 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.2 m -98.14 152.41 4.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 110.0 -0.371 . . . . 1.52 110.0 -179.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 62.7 mt -112.35 139.79 47.61 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.238 0.542 . . . . 1.67 111.716 -174.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 38.0 t -121.44 140.23 52.43 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.869 -0.789 . . . . 2.62 108.869 172.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 . . . . . 0 C--N 1.324 -0.535 0 CA-C-O 120.944 0.402 . . . . 6.73 110.898 -176.206 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.306 -0.627 . . . . 3.65 109.306 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 12.3 p -74.83 133.71 41.85 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.068 -0.969 . . . . 2.42 110.445 -178.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.43 ' O ' ' HG2' ' B' ' 63' ' ' PRO . 28.0 m -59.76 -24.32 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 115.837 -0.62 . . . . 1.41 110.936 177.536 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.573 ' SG ' ' HB2' ' B' ' 110' ' ' CYS . 62.6 m -128.87 119.0 23.65 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.323 -0.853 . . . . 1.75 109.236 175.227 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -55.05 117.85 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.833 0.349 . . . . 2.87 110.734 -178.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' SER . . . . . 0.414 ' HB3' HG22 ' B' ' 56' ' ' THR . 31.7 m -126.45 149.72 49.13 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.206 -0.452 . . . . 1.72 110.518 -177.638 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.524 ' O ' ' HA ' ' B' ' 56' ' ' THR . 7.1 p -122.27 131.65 72.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.815 0.341 . . . . 1.51 111.057 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 28.6 m -91.1 124.01 35.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.843 0.354 . . . . 1.66 110.223 178.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 42.7 t -125.57 138.62 53.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.277 -0.419 . . . . 1.03 110.851 -175.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -103.56 96.29 6.63 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.032 -0.729 . . . . 1.61 109.032 172.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 47.1 t -84.5 108.96 17.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.776 -0.647 . . . . 0.96 110.642 -176.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.24 19.07 55.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.688 -0.768 . . . . 1.27 112.062 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -174.13 84.8 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.557 -0.534 . . . . 3.01 109.557 -179.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -89.78 -17.24 28.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.441 -0.345 . . . . 1.32 111.307 -176.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 68.2 p 63.54 -54.36 0.21 Allowed 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.968 1.307 . . . . 1.82 113.631 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.3 p -134.0 143.92 48.42 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.004 0.431 . . . . 1.0 111.158 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.447 ' HB1' ' HB ' ' B' ' 102' ' ' ILE . . . -151.81 156.59 40.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.073 -0.512 . . . . 0.79 110.719 177.426 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 46.0 m -100.17 120.53 40.02 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.026 -0.534 . . . . 1.01 111.205 -176.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ASP . . . . . 0.428 ' HA ' ' O ' ' B' ' 101' ' ' PHE . 20.8 t70 -71.64 164.2 26.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.169 -0.923 . . . . 1.84 110.228 178.132 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 14.3 tt -57.7 -23.4 20.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 C-N-CA 122.96 0.504 . . . . 1.33 111.768 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.415 ' HG3' ' OD1' ' B' ' 30' ' ' ASP . 36.1 mttp -81.52 -3.85 54.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.941 0.4 . . . . 2.22 110.958 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.47 17.45 57.02 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 121.091 -0.575 . . . . 1.25 111.841 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -93.49 131.79 38.38 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.627 0.251 . . . . 2.14 110.851 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -87.34 114.62 24.12 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.788 -0.819 . . . . 2.19 108.788 176.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 27.5 m -122.7 157.18 27.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.106 0.479 . . . . 1.01 111.682 -174.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 20.1 m -83.97 117.85 23.64 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.344 -0.843 . . . . 1.04 110.22 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.42 ' HA ' HG22 ' B' ' 91' ' ' THR . 94.2 t -87.19 130.62 36.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.912 -0.585 . . . . 1.1 110.513 -177.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 84.2 mt -88.34 113.61 24.12 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.532 -0.544 . . . . 1.91 109.532 177.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.17 -31.16 72.2 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.441 0.639 . . . . 2.18 109.718 178.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.505 ' HA ' ' HA ' ' B' ' 50' ' ' ARG . 36.7 mt-10 -115.67 115.22 26.01 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.946 -1.025 . . . . 3.59 108.934 174.682 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 26.0 m -92.94 139.07 18.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.179 0.514 . . . . 2.39 111.201 -173.053 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -100.98 99.65 10.15 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.413 -0.812 . . . . 3.25 109.753 178.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 52.3 mt -106.91 87.64 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.35 -0.386 . . . . 2.77 110.05 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 57.5 t30 60.32 63.91 1.31 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.517 -0.765 . . . . 3.84 110.443 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 13.5 m120 64.0 20.6 12.27 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.214 -0.903 . . . . 4.76 111.565 175.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 23.7 t -129.22 118.29 22.12 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.337 -0.616 . . . . 3.33 109.337 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 39.1 t -100.95 131.04 49.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.273 -0.422 . . . . 2.38 111.497 -174.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' PHE . . . . . 0.422 ' O ' HG22 ' B' ' 42' ' ' VAL . 79.8 m-85 -137.36 134.04 35.54 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.326 -0.62 . . . . 4.13 109.326 174.062 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.505 ' HA ' ' HA ' ' B' ' 41' ' ' GLU . 27.6 ptt180 -82.7 145.07 29.8 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.276 -0.57 . . . . 4.84 109.86 179.337 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.439 ' OE1' ' HE3' ' A' ' 88' ' ' LYS . 86.5 mm-40 -120.2 154.95 34.11 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.934 -0.576 . . . . 4.56 111.453 -172.347 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -123.14 151.36 42.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.551 -0.749 . . . . 2.45 109.314 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -122.87 123.21 40.46 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 110.077 -0.342 . . . . 1.16 110.077 176.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -85.06 103.05 13.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.966 0.413 . . . . 3.56 110.379 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -100.73 162.65 12.77 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.436 0.636 . . . . 1.49 110.093 175.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.572 ' HB ' ' C ' ' B' ' 106' ' ' THR . 50.8 m -140.93 100.23 3.78 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 107.707 -1.22 . . . . 1.07 107.707 169.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -101.38 147.28 26.52 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.935 -1.029 . . . . 2.48 109.822 -165.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.78 115.94 21.24 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.111 0.481 . . . . 1.73 110.577 -173.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -75.92 -34.79 59.93 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.498 -0.774 . . . . 3.49 110.176 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -135.33 113.45 11.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.869 -0.605 . . . . 2.58 110.899 -178.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 22.8 t -69.98 -24.37 63.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 2.76 110.066 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -147.96 88.26 5.59 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.426 -0.806 . . . . 2.59 109.367 174.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' PRO . . . . . 0.43 ' HG2' ' O ' ' B' ' 14' ' ' VAL . 51.1 Cg_exo -53.57 -38.57 83.89 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.043 2.495 . . . . 2.57 113.05 -178.125 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 31.3 m -118.09 154.51 20.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.837 -0.431 . . . . 2.53 109.837 178.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' B' ' 66' ' ' SER . 35.9 tt0 -80.85 71.07 7.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.908 0.385 . . . . 4.2 111.172 -173.71 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' SER . . . . . 0.436 ' HB2' ' O ' ' B' ' 65' ' ' GLU . 4.8 t 175.64 -39.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.453 -0.794 . . . . 3.9 109.094 178.407 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -170.18 -118.53 0.46 Allowed Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.994 -0.842 . . . . 2.6 110.994 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' B' ' 14' ' ' VAL . 24.7 p -126.27 -178.4 4.31 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.401 -0.592 . . . . 1.74 109.401 174.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -72.36 132.17 43.61 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 121.08 -0.248 . . . . 3.95 111.094 -175.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.98 -43.09 2.07 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 121.019 -0.61 . . . . 1.6 113.427 172.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 47.3 mm -59.89 132.71 25.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.029 0.442 . . . . 1.65 112.187 -175.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -71.14 99.39 1.86 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.688 -0.687 . . . . 3.32 109.475 172.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' SER . . . . . 0.697 ' HA ' ' O ' ' B' ' 76' ' ' TRP . 5.3 t -77.36 -4.39 44.92 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.049 -0.523 . . . . 4.63 110.954 -174.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -66.28 -41.03 90.43 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.383 -0.599 . . . . 3.06 109.383 174.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -96.62 -38.41 9.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.749 -0.659 . . . . 3.51 110.926 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' TRP . . . . . 0.697 ' O ' ' HA ' ' B' ' 73' ' ' SER . 87.5 m95 -118.26 134.23 55.21 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.126 0.489 . . . . 3.17 112.023 -171.223 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -95.2 134.78 37.56 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 107.827 -1.175 . . . . 2.7 107.827 169.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.695 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 3.7 m -125.81 147.48 49.41 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.32 -0.552 . . . . 1.93 112.121 -170.083 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -150.96 147.94 27.78 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.304 -0.862 . . . . 3.73 108.838 170.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.649 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 35.2 m -94.49 130.62 40.8 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.019 -0.537 . . . . 1.67 111.041 -174.27 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 59.3 m -126.81 134.97 50.44 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.757 -0.656 . . . . 2.25 109.792 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.468 ' HA ' ' HA ' ' B' ' 108' ' ' CYS . 21.4 p -79.31 134.05 36.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.156 0.503 . . . . 2.78 111.823 -177.674 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 5.8 m -92.06 124.33 36.08 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.547 -0.751 . . . . 2.69 109.187 176.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' HIS . . . . . 0.441 ' HA ' ' O ' ' B' ' 104' ' ' ILE . 2.2 p-80 -119.67 136.03 54.57 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.915 0.388 . . . . 3.71 111.217 -176.293 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.574 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 14.7 t -111.76 164.28 13.22 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.508 -0.769 . . . . 1.48 109.297 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -103.31 116.61 32.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.098 0.475 . . . . 1.75 110.171 -177.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' VAL . . . . . 0.468 HG12 HG12 ' A' ' 87' ' ' VAL . 27.1 m -109.87 152.77 11.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.835 -0.62 . . . . 1.08 110.855 -176.071 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 88' ' ' LYS . . . . . 0.448 ' HE3' ' OE1' ' A' ' 51' ' ' GLN . 42.8 mttp -86.47 109.42 19.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.398 -0.819 . . . . 3.82 110.173 -177.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.36 139.01 52.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.072 -0.513 . . . . 1.13 111.029 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 35.1 tp -75.31 114.65 14.08 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.285 -0.635 . . . . 1.45 109.285 176.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 91' ' ' THR . . . . . 0.42 HG22 ' HA ' ' B' ' 38' ' ' VAL . 79.3 p -122.23 166.98 13.76 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.901 -0.591 . . . . 1.15 110.612 -175.67 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 6.8 t -123.68 110.99 15.66 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.46 0.648 . . . . 1.32 109.954 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -78.0 -45.15 24.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.666 -0.697 . . . . 2.46 110.325 -178.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -125.74 -75.79 0.59 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.26 -0.427 . . . . 3.09 110.946 177.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -123.23 -49.32 1.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.953 0.406 . . . . 3.3 111.138 -178.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -77.66 176.67 8.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.169 -0.468 . . . . 2.74 110.94 -178.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -121.78 133.1 54.91 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.288 -0.414 . . . . 1.44 110.899 -177.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.24 146.63 35.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.888 -0.596 . . . . 1.39 110.259 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 17.2 m-90 -74.64 119.63 19.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.109 0.48 . . . . 2.35 111.267 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -110.34 169.54 8.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.57 -0.741 . . . . 3.48 109.894 176.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.428 ' O ' ' HA ' ' B' ' 30' ' ' ASP . 27.7 m-85 -111.34 101.89 10.32 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.354 -0.98 . . . . 1.98 108.354 179.262 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 102' ' ' ILE . . . . . 0.447 ' HB ' ' HB1' ' B' ' 28' ' ' ALA . 36.7 pt -111.55 142.93 22.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.07 0.462 . . . . 0.86 111.103 -168.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 103' ' ' ARG . . . . . 0.574 ' HA ' ' O ' ' B' ' 85' ' ' THR . 35.8 ptt180 -83.66 125.52 31.93 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.802 -0.635 . . . . 3.72 111.353 -174.605 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 104' ' ' ILE . . . . . 0.441 ' O ' ' HA ' ' B' ' 84' ' ' HIS . 42.9 pt -121.91 134.22 65.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.813 -0.63 . . . . 0.83 109.857 172.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 105' ' ' ASP . . . . . 0.412 ' HB3' ' HB ' ' B' ' 82' ' ' THR . 16.1 m-20 -80.16 113.47 18.35 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.298 -0.631 . . . . 1.69 109.298 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 106' ' ' THR . . . . . 0.572 ' C ' ' HB ' ' B' ' 56' ' ' THR . 7.0 t -123.06 22.85 9.44 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.292 -0.413 . . . . 2.29 111.014 -171.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 107' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -175.16 156.16 2.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.016 -0.538 . . . . 1.15 109.96 176.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 108' ' ' CYS . . . . . 0.649 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 48.5 t -130.67 113.4 14.13 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.191 -0.67 . . . . 1.56 109.191 172.469 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 29.7 m -106.43 145.75 13.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.068 -0.514 . . . . 1.08 110.924 -174.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.695 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 42.8 t -92.55 116.44 29.0 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.212 -0.662 . . . . 1.45 109.212 177.053 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 18.1 m -98.22 152.38 4.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.993 -0.373 . . . . 1.52 109.993 -179.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 62.7 mt -112.3 139.73 47.61 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.278 0.561 . . . . 1.67 111.711 -174.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 38.6 t -121.38 140.53 52.0 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.793 -0.817 . . . . 2.62 108.793 172.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 . . . . . 0 C--N 1.324 -0.521 0 CA-C-O 121.092 0.472 . . . . 6.72 110.84 -176.278 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.414 ' HB2' HG12 ' B' ' 111' ' ' VAL . 88.1 m-85 . . . . . 0 N--CA 1.466 0.362 0 CA-C-O 121.363 0.601 . . . . 3.65 112.359 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.8 t -172.45 152.22 2.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.426 -0.806 . . . . 2.42 109.439 175.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -79.57 -6.09 9.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.291 0.567 . . . . 1.41 110.749 178.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.7 t -129.59 152.41 49.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.283 -0.872 . . . . 1.75 109.088 178.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.502 ' HB3' ' O ' ' A' ' 59' ' ' ARG . 6.3 t0 -73.48 115.21 12.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.326 0.584 . . . . 2.87 109.763 -176.567 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.4 m -112.53 134.71 53.91 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.75 -0.659 . . . . 1.72 110.693 -175.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.567 ' O ' ' HA ' ' A' ' 56' ' ' THR . 4.5 p -109.86 115.35 49.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.951 0.405 . . . . 1.51 110.669 178.226 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.9 m -97.07 119.29 35.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.086 -0.507 . . . . 1.66 110.533 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.1 t -119.82 138.07 51.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.145 -0.479 . . . . 1.03 110.365 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -97.36 95.61 7.8 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.874 -0.787 . . . . 1.61 108.874 173.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 49.0 t -87.38 112.86 23.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.86 -0.609 . . . . 0.96 110.297 -175.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.89 -12.38 64.02 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.359 -0.924 . . . . 1.27 112.486 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -141.18 72.53 1.39 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.766 0.317 . . . . 3.02 111.12 -178.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.509 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 58.6 tttp -74.66 127.51 33.3 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.998 -0.741 . . . . 1.32 108.998 174.22 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 t -83.49 -42.28 17.07 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.295 0.48 . . . . 1.82 112.295 -171.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.0 p -141.16 147.8 39.01 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.644 0.259 . . . . 1.01 111.007 -177.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.414 ' HB1' ' HB ' ' A' ' 102' ' ' ILE . . . -153.61 162.73 40.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.014 -0.539 . . . . 0.79 110.54 176.374 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.42 ' HB ' ' HE ' ' A' ' 103' ' ' ARG . 6.9 m -100.08 119.87 38.97 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.871 -0.604 . . . . 1.02 110.514 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.427 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 10.5 t70 -69.34 157.93 36.05 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.938 -0.764 . . . . 1.85 108.938 174.015 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.7 tt -58.9 -16.89 10.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 123.167 0.587 . . . . 1.33 111.908 -177.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -84.04 2.03 41.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.929 0.395 . . . . 2.22 110.867 177.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.55 24.38 50.59 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.127 -0.558 . . . . 1.25 112.232 177.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -107.89 128.43 54.61 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.686 0.279 . . . . 2.14 110.934 -178.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -88.87 115.56 26.5 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.531 -0.544 . . . . 2.19 109.531 177.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.5 m -130.3 161.24 40.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.128 0.489 . . . . 1.02 111.666 -175.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 29.2 m -82.75 121.58 27.07 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.334 -0.848 . . . . 1.04 110.367 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.509 ' HB ' ' O ' ' A' ' 25' ' ' LYS . 60.5 t -87.68 135.83 24.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.059 -0.518 . . . . 1.1 111.088 -174.427 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 74.3 mt -105.06 127.34 52.84 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.214 -0.661 . . . . 1.91 109.214 175.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.22 -23.68 63.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.235 0.541 . . . . 2.18 110.476 179.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.452 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 5.6 mm-40 -105.17 115.9 31.05 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.907 -1.042 . . . . 3.59 109.594 -177.276 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 49' ' ' PHE . 28.3 m -92.59 99.88 10.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 122.038 0.923 . . . . 2.4 110.534 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.41 ' H ' HD22 ' A' ' 90' ' ' LEU . 32.3 m-80 -78.12 99.66 6.26 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.886 -1.052 . . . . 3.25 109.646 178.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.484 HG22 ' OD1' ' A' ' 45' ' ' ASN . 65.3 mt -77.43 -71.85 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.738 -0.467 . . . . 2.77 109.738 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.484 ' OD1' HG22 ' A' ' 44' ' ' ILE . 11.6 m120 -135.6 -65.15 0.61 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.833 -0.803 . . . . 3.84 108.833 172.465 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -124.54 -17.01 6.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.243 -0.889 . . . . 4.76 110.052 177.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.4 m -97.22 127.77 43.5 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.947 -0.57 . . . . 3.33 110.17 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.452 ' CG1' ' HB3' ' A' ' 41' ' ' GLU . 43.7 t -116.38 123.14 71.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.953 -0.567 . . . . 2.37 110.151 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.468 ' O ' HG22 ' A' ' 42' ' ' VAL . 96.6 m-85 -120.7 160.95 22.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.583 -0.28 . . . . 4.13 110.602 -178.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.444 ' HB3' ' OE1' ' A' ' 41' ' ' GLU . 5.8 ptp180 -141.11 165.78 26.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.394 -0.366 . . . . 4.84 110.291 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -150.19 163.17 38.93 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.014 -0.735 . . . . 4.56 109.014 175.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -105.11 124.95 50.41 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.012 -0.736 . . . . 2.46 109.012 176.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -78.23 125.05 28.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.334 -0.393 . . . . 1.16 110.508 -176.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -84.94 94.26 8.74 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.842 -0.617 . . . . 3.56 109.798 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.77 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 26.7 mt-10 -104.29 104.62 14.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.15 -0.477 . . . . 1.49 110.737 -178.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.567 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 48.4 m -100.67 113.98 27.3 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.83 -0.433 . . . . 1.07 109.83 174.487 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -117.24 163.85 15.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.021 -0.536 . . . . 2.48 111.09 -172.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 84.4 m -85.44 112.23 20.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.708 -0.678 . . . . 1.73 111.262 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.502 ' O ' ' HB3' ' A' ' 16' ' ' ASP . 22.9 ptt180 -113.77 129.44 56.58 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.086 -0.709 . . . . 3.48 109.086 173.387 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 60.36 78.68 0.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.188 0.518 . . . . 2.58 109.962 -174.079 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.7 t -66.36 -11.63 52.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.594 -0.73 . . . . 2.76 111.401 -176.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -127.67 76.17 77.29 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 116.566 -0.288 . . . . 2.59 110.228 177.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -57.46 -31.69 92.05 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 122.292 1.995 . . . . 2.57 111.195 176.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.3 m -116.4 158.61 16.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.273 -0.876 . . . . 2.53 108.826 172.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -79.63 60.32 3.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.197 0.522 . . . . 4.19 110.614 -175.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.7 m -163.79 -45.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.312 -0.858 . . . . 3.9 109.356 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 166.74 -123.71 1.16 Allowed Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.691 -0.964 . . . . 2.6 110.691 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 82.9 m -81.05 162.15 23.89 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.902 -0.407 . . . . 1.73 109.902 174.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 -78.2 135.63 37.65 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.703 0.287 . . . . 3.94 110.318 -177.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 103.17 -35.63 4.88 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 121.02 -0.609 . . . . 1.61 112.105 178.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.463 HG22 ' H ' ' A' ' 73' ' ' SER . 33.6 mm -63.17 122.82 14.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 110.306 -0.257 . . . . 1.65 110.306 -179.002 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -61.87 -23.99 66.64 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.153 -0.476 . . . . 3.32 111.352 -178.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.533 ' HA ' ' O ' ' A' ' 76' ' ' TRP . 19.7 m 65.7 11.3 7.44 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.702 -0.681 . . . . 4.63 112.297 172.586 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -106.05 -36.02 7.07 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.422 -0.585 . . . . 3.06 109.422 175.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -91.74 -24.45 19.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.683 -0.689 . . . . 3.51 110.035 176.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.544 ' CE3' ' HB3' ' A' ' 112' ' ' LEU . 97.7 m95 -134.89 140.22 45.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.714 -0.676 . . . . 3.17 111.884 -172.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.453 ' HB3' ' OG ' ' A' ' 113' ' ' SER . 8.4 t30 -97.38 135.43 39.29 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.971 -1.122 . . . . 2.69 107.971 168.421 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.0 t -131.34 135.86 47.61 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.181 0.515 . . . . 1.93 112.369 -167.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.454 ' CZ ' HG21 ' A' ' 111' ' ' VAL . 42.5 p90 -156.83 166.93 31.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.321 -0.854 . . . . 3.73 108.806 170.171 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.527 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 12.9 m -105.32 140.86 37.81 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.851 0.358 . . . . 1.67 111.62 -170.012 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.499 ' O ' HG22 ' A' ' 109' ' ' VAL . 50.6 m -132.18 136.04 46.77 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.998 -0.546 . . . . 2.24 109.697 178.235 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.8 m -87.81 127.7 35.33 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.746 0.308 . . . . 2.78 111.028 -177.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.3 t -91.27 167.19 12.49 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.135 -0.32 . . . . 2.69 110.135 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -138.97 143.97 38.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.901 0.382 . . . . 3.71 111.552 -170.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.646 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 7.9 t -116.2 171.07 8.05 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.17 -0.678 . . . . 1.48 109.17 174.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.469 ' HA ' ' O ' ' A' ' 102' ' ' ILE . 97.4 m-85 -117.46 115.86 26.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.081 0.467 . . . . 1.75 110.573 -178.427 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.586 HG12 HG12 ' B' ' 87' ' ' VAL . 26.6 m -112.91 149.07 15.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.749 -0.66 . . . . 1.08 111.065 -176.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -75.19 110.9 9.91 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.319 -0.401 . . . . 3.82 110.031 176.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.78 139.91 51.97 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.293 -0.412 . . . . 1.13 110.646 178.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.41 HD22 ' H ' ' A' ' 43' ' ' ASN . 26.0 tp -78.1 125.04 28.77 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.345 -0.983 . . . . 1.45 108.345 173.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 97' ' ' ALA . 66.5 p -124.0 153.83 40.72 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.972 -0.291 . . . . 1.14 110.749 -175.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.8 t -114.12 109.89 19.14 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.695 0.76 . . . . 1.32 109.804 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -74.27 -51.51 15.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.346 -0.843 . . . . 2.47 110.711 -175.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -136.89 -72.85 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.265 -0.425 . . . . 3.09 110.516 176.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -127.91 7.41 6.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.728 0.299 . . . . 3.29 111.273 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -130.02 154.18 47.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.875 0.369 . . . . 2.74 110.687 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.427 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -108.2 128.83 55.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.747 -0.661 . . . . 1.44 110.505 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -135.9 148.11 48.44 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.333 -0.394 . . . . 1.38 110.639 -178.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -75.72 124.97 28.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.103 -0.499 . . . . 2.35 110.85 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 100' ' ' ARG . 54.9 mmt-85 -126.92 164.37 21.59 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.943 -0.571 . . . . 3.48 110.729 178.663 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.427 ' O ' ' HA ' ' A' ' 30' ' ' ASP . 30.6 m-85 -110.37 106.09 15.32 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.691 -1.225 . . . . 1.98 107.691 176.43 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.469 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 39.0 pt -111.49 144.55 19.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.311 0.577 . . . . 0.86 111.619 -168.115 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.646 ' HA ' ' O ' ' A' ' 85' ' ' THR . 28.6 ptt180 -79.48 123.42 27.54 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 114.923 -1.035 . . . . 3.71 110.507 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 44.9 pt -121.97 143.03 35.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 109.692 -0.484 . . . . 0.83 109.692 173.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.77 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 37.9 m-20 -62.56 126.66 28.09 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.286 -0.635 . . . . 1.69 109.286 178.508 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.551 ' O ' ' HB ' ' A' ' 56' ' ' THR . 3.5 m -116.26 -36.43 4.05 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 112.781 0.659 . . . . 2.29 112.781 -172.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.401 ' HA ' ' HB ' ' A' ' 56' ' ' THR . . . -156.47 158.63 37.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.771 0.319 . . . . 1.14 110.974 -176.369 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.527 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 51.7 t -105.64 117.47 34.11 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.091 -0.504 . . . . 1.56 109.652 177.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 81' ' ' THR . 12.0 m -104.91 158.89 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.313 -0.403 . . . . 1.07 110.088 -178.338 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 42.7 t -110.16 125.22 52.8 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.806 -0.442 . . . . 1.45 109.806 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.484 HG12 ' HB2' ' B' ' 12' ' ' PHE . 2.9 m -92.39 154.21 3.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.351 -0.386 . . . . 1.52 110.304 -178.247 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.544 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . 96.8 mt -125.76 138.41 53.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.192 0.52 . . . . 1.67 110.383 175.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.48 ' O ' ' HA ' ' A' ' 76' ' ' TRP . 2.2 p -137.1 170.19 16.51 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.653 -0.703 . . . . 2.62 109.644 176.656 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 . . . . . 0 C--N 1.321 -0.642 0 N-CA-C 112.423 0.527 . . . . 6.73 112.423 -173.396 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 12' ' ' PHE . . . . . 0.484 ' HB2' HG12 ' A' ' 111' ' ' VAL . 87.2 m-85 . . . . . 0 N--CA 1.468 0.438 0 CA-C-O 121.409 0.623 . . . . 3.65 112.278 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 33.4 t -172.71 151.99 2.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.45 -0.795 . . . . 2.42 109.413 176.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -79.54 -5.99 8.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.236 0.541 . . . . 1.41 110.727 178.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 49.8 t -129.55 152.33 49.19 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.295 -0.866 . . . . 1.75 109.144 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' ASP . . . . . 0.496 ' HB3' ' O ' ' B' ' 59' ' ' ARG . 6.3 t0 -73.47 115.32 12.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.363 0.602 . . . . 2.87 109.765 -176.682 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 18.1 m -112.6 134.64 54.02 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.778 -0.646 . . . . 1.72 110.602 -175.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.559 ' O ' ' HA ' ' B' ' 56' ' ' THR . 4.6 p -109.99 115.45 49.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.916 0.388 . . . . 1.51 110.699 178.066 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.1 m -97.14 118.84 34.47 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.985 -0.552 . . . . 1.66 110.712 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 46.6 t -119.55 138.24 50.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.222 -0.445 . . . . 1.03 110.271 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -97.52 95.83 7.9 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.721 -0.844 . . . . 1.61 108.721 173.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 48.5 t -87.41 112.83 23.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.823 -0.626 . . . . 0.96 110.382 -175.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.84 -12.22 64.39 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.235 -0.983 . . . . 1.27 112.457 -178.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -141.73 72.64 1.39 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.811 0.338 . . . . 3.01 111.13 -178.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.506 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 58.5 tttp -74.66 127.72 33.8 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.054 -0.721 . . . . 1.32 109.054 173.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 8.9 t -83.76 -42.36 16.61 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.164 0.431 . . . . 1.82 112.164 -171.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.0 p -141.07 147.66 38.94 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.693 0.282 . . . . 1.0 111.077 -177.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.411 ' HB1' ' HB ' ' B' ' 102' ' ' ILE . . . -153.34 162.92 40.78 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.952 -0.567 . . . . 0.79 110.603 176.275 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 6.7 m -100.31 119.88 39.08 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.898 -0.592 . . . . 1.01 110.514 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ASP . . . . . 0.431 ' HA ' ' O ' ' B' ' 101' ' ' PHE . 10.3 t70 -69.43 157.94 36.11 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.094 -0.706 . . . . 1.84 109.094 174.031 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.5 tt -58.92 -16.56 9.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 123.056 0.543 . . . . 1.33 111.866 -177.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -84.43 2.24 41.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.894 0.378 . . . . 2.22 110.923 177.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.55 24.1 51.53 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 121.025 -0.607 . . . . 1.25 112.293 177.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -107.68 128.34 54.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.74 0.305 . . . . 2.14 111.053 -178.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -88.71 115.43 26.24 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.585 -0.524 . . . . 2.19 109.585 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 8.0 m -130.19 161.29 40.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.179 0.514 . . . . 1.01 111.644 -175.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 28.1 m -83.0 121.52 27.11 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.268 -0.878 . . . . 1.04 110.42 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.506 ' HB ' ' O ' ' B' ' 25' ' ' LYS . 61.0 t -87.75 135.57 25.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.066 -0.516 . . . . 1.1 111.225 -174.323 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 73.6 mt -104.88 127.13 52.59 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.258 -0.645 . . . . 1.91 109.258 175.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.11 -23.71 64.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.222 0.534 . . . . 2.18 110.398 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.457 ' HB3' ' CG1' ' B' ' 48' ' ' VAL . 5.5 mm-40 -105.18 115.92 31.08 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.029 -0.987 . . . . 3.59 109.658 -177.299 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.464 HG22 ' O ' ' B' ' 49' ' ' PHE . 28.3 m -92.58 99.92 10.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 122.001 0.905 . . . . 2.39 110.587 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.406 ' H ' HD22 ' B' ' 90' ' ' LEU . 31.9 m-80 -78.18 99.39 6.19 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.925 -1.034 . . . . 3.25 109.681 178.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.482 HG22 ' OD1' ' B' ' 45' ' ' ASN . 64.6 mt -76.98 -72.47 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.818 -0.438 . . . . 2.77 109.818 178.505 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ASN . . . . . 0.482 ' OD1' HG22 ' B' ' 44' ' ' ILE . 11.8 m120 -135.0 -65.32 0.63 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.889 -0.782 . . . . 3.84 108.889 172.431 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -124.21 -17.16 6.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.174 -0.921 . . . . 4.76 109.927 177.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 16.5 m -97.0 127.5 43.03 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.932 -0.576 . . . . 3.33 110.185 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.457 ' CG1' ' HB3' ' B' ' 41' ' ' GLU . 43.6 t -116.49 122.86 70.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.057 -0.52 . . . . 2.38 110.192 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' PHE . . . . . 0.464 ' O ' HG22 ' B' ' 42' ' ' VAL . 96.7 m-85 -120.26 160.92 22.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.486 -0.325 . . . . 4.13 110.71 -178.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.446 ' HB3' ' OE1' ' B' ' 41' ' ' GLU . 5.8 ptp180 -141.13 165.65 26.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.287 -0.415 . . . . 4.84 110.354 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -149.9 163.22 38.64 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.017 -0.735 . . . . 4.56 109.017 174.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -105.15 125.24 50.77 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.114 -0.699 . . . . 2.45 109.114 175.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -78.41 124.95 28.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.326 -0.397 . . . . 1.16 110.552 -176.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -84.88 94.54 8.77 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.84 -0.618 . . . . 3.56 109.83 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' GLU . . . . . 0.765 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 26.5 mt-10 -104.51 104.5 14.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.199 -0.455 . . . . 1.49 110.851 -178.456 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.559 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 48.7 m -100.52 114.07 27.39 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.736 -0.468 . . . . 1.07 109.736 174.586 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -117.39 163.65 16.04 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.907 -0.588 . . . . 2.48 111.094 -172.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 83.6 m -85.2 112.53 20.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.711 -0.677 . . . . 1.73 111.157 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' ARG . . . . . 0.496 ' O ' ' HB3' ' B' ' 16' ' ' ASP . 23.0 ptt180 -114.07 129.77 56.6 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.068 -0.716 . . . . 3.49 109.068 173.196 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . 60.16 78.27 0.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.164 0.507 . . . . 2.58 110.084 -174.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 46.7 t -66.01 -11.48 48.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.695 -0.684 . . . . 2.76 111.567 -176.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -127.9 76.31 77.57 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 110.093 -0.336 . . . . 2.59 110.093 177.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -57.34 -32.08 92.82 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 122.225 1.95 . . . . 2.57 111.113 176.031 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 17.4 m -116.22 158.83 16.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.215 -0.902 . . . . 2.53 108.827 172.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -79.8 59.86 3.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.454 0.645 . . . . 4.2 110.721 -174.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 19.8 m -163.33 -45.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.231 -0.895 . . . . 3.9 109.36 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 166.8 -123.67 1.16 Allowed Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 110.631 -0.988 . . . . 2.6 110.631 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 79.3 m -80.68 162.37 24.2 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.985 -0.376 . . . . 1.74 109.985 174.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 46.9 mtp180 -78.46 135.33 37.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.567 -0.288 . . . . 3.95 110.239 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 103.41 -36.19 4.51 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.918 -0.658 . . . . 1.6 112.087 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' ILE . . . . . 0.44 HG22 ' H ' ' B' ' 73' ' ' SER . 33.8 mm -62.69 122.48 13.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 122.306 0.243 . . . . 1.65 110.394 -178.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -61.42 -24.12 66.3 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.43 -0.35 . . . . 3.32 111.571 -178.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' SER . . . . . 0.517 ' HA ' ' O ' ' B' ' 76' ' ' TRP . 19.7 m 66.03 11.14 7.55 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.553 -0.749 . . . . 4.63 112.275 172.679 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -105.93 -36.01 7.12 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.509 -0.552 . . . . 3.06 109.509 175.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -91.76 -24.18 19.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.842 -0.617 . . . . 3.51 109.939 176.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' TRP . . . . . 0.546 ' CE3' ' HB3' ' B' ' 112' ' ' LEU . 97.8 m95 -135.14 139.95 45.04 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.622 -0.717 . . . . 3.17 111.802 -172.296 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 77' ' ' ASN . . . . . 0.445 ' HB3' ' OG ' ' B' ' 113' ' ' SER . 8.3 t30 -97.41 135.36 39.4 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.966 -1.124 . . . . 2.7 107.966 168.529 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 25.3 t -131.21 135.86 47.76 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.369 0.507 . . . . 1.93 112.369 -166.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' TYR . . . . . 0.443 ' CZ ' HG21 ' B' ' 111' ' ' VAL . 42.3 p90 -156.93 166.8 32.34 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.437 -0.801 . . . . 3.73 108.841 170.085 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.524 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 13.0 m -105.14 140.64 38.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.789 0.328 . . . . 1.67 111.616 -169.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.506 ' O ' HG22 ' B' ' 109' ' ' VAL . 52.5 m -132.05 135.99 46.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.986 -0.552 . . . . 2.25 109.541 178.335 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 16.6 m -87.78 127.9 35.32 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.848 0.356 . . . . 2.78 110.924 -177.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 7.0 t -91.39 166.96 12.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.412 -0.358 . . . . 2.69 110.183 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -138.7 144.12 39.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.464 -0.334 . . . . 3.71 111.522 -170.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.661 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 7.8 t -116.35 171.05 8.08 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.215 -0.661 . . . . 1.48 109.215 174.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.469 ' HA ' ' O ' ' B' ' 102' ' ' ILE . 97.4 m-85 -117.41 115.78 25.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.11 0.481 . . . . 1.75 110.604 -178.382 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 87' ' ' VAL . . . . . 0.586 HG12 HG12 ' A' ' 87' ' ' VAL . 27.3 m -112.77 148.99 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.643 -0.708 . . . . 1.08 111.027 -176.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -75.25 111.06 10.11 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.263 -0.426 . . . . 3.82 109.999 176.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.92 140.02 51.86 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.397 -0.365 . . . . 1.13 110.634 178.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 90' ' ' LEU . . . . . 0.406 HD22 ' H ' ' B' ' 43' ' ' ASN . 26.2 tp -78.0 124.85 28.52 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.401 -0.963 . . . . 1.45 108.401 174.007 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 91' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' B' ' 97' ' ' ALA . 69.7 p -123.81 154.03 40.17 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 120.979 -0.288 . . . . 1.15 110.876 -176.001 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 6.4 t -114.11 109.79 18.99 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.802 0.81 . . . . 1.32 109.726 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -74.03 -52.13 13.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.319 -0.855 . . . . 2.46 110.55 -175.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -136.31 -72.78 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.248 -0.433 . . . . 3.09 110.74 176.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -128.17 7.65 6.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.639 0.257 . . . . 3.3 111.035 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -130.23 153.98 48.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.798 0.332 . . . . 2.74 110.805 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 97' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' B' ' 91' ' ' THR . . . -108.5 128.23 54.62 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.798 -0.637 . . . . 1.44 110.608 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -135.44 148.13 49.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.249 -0.432 . . . . 1.39 110.51 -177.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 69.9 m95 -75.91 124.69 27.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.168 -0.469 . . . . 2.35 110.939 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 55.5 mmt-85 -126.82 164.39 21.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.834 -0.621 . . . . 3.48 110.693 178.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.431 ' O ' ' HA ' ' B' ' 30' ' ' ASP . 31.0 m-85 -110.44 106.08 15.28 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 107.66 -1.237 . . . . 1.98 107.66 176.641 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 102' ' ' ILE . . . . . 0.469 ' O ' ' HA ' ' B' ' 86' ' ' PHE . 38.6 pt -111.5 144.6 19.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.218 0.532 . . . . 0.86 111.546 -168.025 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 103' ' ' ARG . . . . . 0.661 ' HA ' ' O ' ' B' ' 85' ' ' THR . 28.8 ptt180 -79.76 123.17 27.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.875 -1.057 . . . . 3.72 110.604 178.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 45.3 pt -121.69 143.03 35.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 116.006 -0.543 . . . . 0.83 109.811 173.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 105' ' ' ASP . . . . . 0.765 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 38.5 m-20 -62.86 126.85 28.73 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.302 -0.629 . . . . 1.69 109.302 178.629 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 106' ' ' THR . . . . . 0.552 ' O ' ' HB ' ' B' ' 56' ' ' THR . 3.5 m -116.31 -36.43 4.03 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 112.728 0.64 . . . . 2.29 112.728 -172.601 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -156.63 158.64 37.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.8 0.333 . . . . 1.15 110.872 -176.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 108' ' ' CYS . . . . . 0.524 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 52.4 t -105.67 117.53 34.26 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.95 -0.568 . . . . 1.56 109.582 178.001 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.506 HG22 ' O ' ' B' ' 81' ' ' THR . 11.9 m -104.96 158.79 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.392 -0.367 . . . . 1.08 110.095 -178.353 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 42.7 t -110.03 125.2 52.67 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.823 -0.436 . . . . 1.45 109.823 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.443 HG21 ' CZ ' ' B' ' 79' ' ' TYR . 2.9 m -92.37 154.51 3.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.328 -0.397 . . . . 1.52 110.233 -178.249 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.546 ' HB3' ' CE3' ' B' ' 76' ' ' TRP . 95.5 mt -125.91 138.46 53.78 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.125 0.488 . . . . 1.67 110.193 175.727 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.469 ' O ' ' HA ' ' B' ' 76' ' ' TRP . 2.2 p -137.37 169.89 17.01 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.691 -0.686 . . . . 2.62 109.648 176.53 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 . . . . . 0 C--N 1.32 -0.699 0 N-CA-C 112.527 0.566 . . . . 6.72 112.527 -173.388 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 109.286 -0.635 . . . . 3.65 109.286 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.1 m -59.72 127.25 31.04 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.78 -1.1 . . . . 2.42 111.319 -176.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.6 m -68.33 -25.68 32.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.025 -0.534 . . . . 1.41 110.57 176.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 74.0 m -127.91 126.44 41.52 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.648 -0.871 . . . . 1.75 108.648 173.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.587 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 10.7 t70 -66.23 115.57 6.35 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.161 0.505 . . . . 2.87 110.033 -175.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.524 ' OG ' ' HB3' ' A' ' 108' ' ' CYS . 23.8 m -113.29 146.56 39.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.803 -0.635 . . . . 1.72 111.485 -172.674 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 56' ' ' THR . 2.8 p -119.54 116.12 49.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.828 -0.624 . . . . 1.51 110.185 174.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.8 m -101.85 121.65 42.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.103 -0.499 . . . . 1.66 110.839 -178.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.4 t -130.55 138.59 53.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.23 -0.441 . . . . 1.03 110.361 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -86.94 95.36 9.88 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.805 -0.813 . . . . 1.61 108.805 171.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 64.9 t -86.87 118.72 33.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.307 -0.86 . . . . 0.96 110.873 -173.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -108.08 11.13 37.35 Favored Glycine 0 N--CA 1.444 -0.833 0 N-CA-C 111.058 -0.817 . . . . 1.27 111.058 175.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -113.26 14.19 19.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.644 0.259 . . . . 3.02 111.036 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.507 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 81.1 tttt -77.76 101.21 6.59 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.357 -0.609 . . . . 1.32 109.357 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.7 t -96.04 -5.05 41.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.195 -0.457 . . . . 1.82 111.768 -172.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 1.0 OUTLIER -142.99 135.59 27.62 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.7 0.286 . . . . 1.01 111.053 178.511 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.33 166.14 27.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.215 -0.448 . . . . 0.79 110.735 178.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.5 m -100.44 118.06 35.9 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.201 -0.454 . . . . 1.02 110.533 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -70.12 163.38 26.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.046 -0.525 . . . . 1.85 109.673 175.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.3 tt -60.05 -26.02 34.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.937 0.399 . . . . 1.33 111.243 -178.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -80.49 -7.44 59.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.454 -0.339 . . . . 2.22 111.145 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.58 12.75 53.09 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.697 -0.763 . . . . 1.25 112.08 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -84.3 132.11 34.65 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.51 -0.181 . . . . 2.14 110.51 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -82.38 114.1 20.6 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.226 -1.028 . . . . 2.19 108.226 170.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 27' ' ' THR . 26.9 m -114.79 152.9 16.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 121.041 0.448 . . . . 1.02 111.151 -175.56 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.454 ' HB ' ' CG2' ' A' ' 92' ' ' THR . 23.8 m -85.44 106.43 16.79 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.338 -0.846 . . . . 1.04 109.643 178.434 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.507 ' HB ' ' O ' ' A' ' 25' ' ' LYS . 43.0 t -80.75 136.02 24.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.836 -0.62 . . . . 1.1 109.915 -178.2 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 76.5 mt -86.84 113.97 23.1 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.958 -0.565 . . . . 1.91 110.058 -178.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.517 ' O ' ' HA ' ' A' ' 50' ' ' ARG . . . -64.58 -37.1 86.38 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 108.808 -0.812 . . . . 2.18 108.808 174.222 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.427 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 45.2 mm-40 -106.14 114.43 28.55 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.612 -1.176 . . . . 3.59 108.212 172.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.591 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 35.6 m -100.0 135.65 34.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 C-N-CA 120.494 -0.483 . . . . 2.4 110.741 -178.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -95.44 98.76 10.79 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.889 -0.596 . . . . 3.25 109.71 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.7 mt -115.28 96.26 4.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.281 -0.418 . . . . 2.77 110.089 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 58.91 48.37 11.15 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.849 -0.614 . . . . 3.84 110.698 179.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 67.68 16.85 9.84 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.083 -0.962 . . . . 4.76 111.433 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.2 t -113.71 114.84 26.92 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.455 -0.943 . . . . 3.33 108.455 173.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.591 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 21.3 t -109.21 124.03 65.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.274 -0.421 . . . . 2.37 110.816 -174.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.448 ' O ' HG22 ' A' ' 42' ' ' VAL . 35.7 p90 -157.1 167.72 29.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.637 0.256 . . . . 4.13 110.751 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.517 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 90.7 mtm180 -87.97 128.56 35.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.201 0.524 . . . . 4.84 110.782 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.528 HE21 HG21 ' A' ' 42' ' ' VAL . 49.9 mm-40 -77.94 -38.71 44.76 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.342 -0.844 . . . . 4.56 112.522 -176.6 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 68.88 143.56 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.827 0 O-C-N 123.724 0.64 . . . . 2.46 111.405 -176.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -130.6 142.03 50.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.727 -0.669 . . . . 1.16 110.239 176.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -85.83 94.85 9.25 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.894 0.378 . . . . 3.56 110.431 -176.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -101.0 113.73 27.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.915 -0.584 . . . . 1.49 110.35 -178.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 90.9 m -109.65 111.86 23.59 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.61 -0.515 . . . . 1.07 109.61 175.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -106.35 147.42 29.25 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.121 -0.49 . . . . 2.48 111.222 -173.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 36.1 m -81.9 88.7 6.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.724 -0.671 . . . . 1.73 109.487 176.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -75.8 -18.4 59.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.797 0.332 . . . . 3.48 110.825 -177.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.587 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -142.46 86.1 1.94 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.038 0.447 . . . . 2.58 110.649 175.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.5 m -79.86 131.76 35.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.849 -0.614 . . . . 2.76 109.718 177.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.5 m120 60.45 67.88 1.49 Allowed Pre-proline 0 N--CA 1.468 0.434 0 O-C-N 123.557 0.535 . . . . 2.59 110.206 -175.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.07 -33.2 91.98 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.586 2.191 . . . . 2.57 112.198 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.5 m -98.22 154.6 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.119 -0.492 . . . . 2.53 109.897 177.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -81.56 70.76 8.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.384 0.611 . . . . 4.19 110.063 -178.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.6 p -174.76 -70.59 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.979 -1.01 . . . . 3.9 109.43 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.21 -91.17 0.08 OUTLIER Glycine 0 N--CA 1.443 -0.852 0 CA-C-N 115.733 -0.667 . . . . 2.6 111.647 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 97.0 m -134.54 157.21 47.12 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.825 0.345 . . . . 1.73 110.783 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -62.08 114.2 3.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.458 -0.792 . . . . 3.94 111.078 -177.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 99.78 -22.47 40.25 Favored Glycine 0 N--CA 1.454 -0.139 0 C-N-CA 120.777 -0.725 . . . . 1.61 112.984 175.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 36.6 mm -77.52 138.43 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.791 0.329 . . . . 1.65 111.393 -177.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -71.37 95.93 1.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.04 -0.726 . . . . 3.32 109.04 171.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.2 t -83.47 13.46 4.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.206 -0.452 . . . . 4.63 111.083 -174.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -95.72 -41.89 8.65 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.038 0.447 . . . . 3.06 109.977 177.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -95.79 -17.79 20.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.892 -0.595 . . . . 3.51 110.514 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -123.41 144.41 49.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.964 -0.562 . . . . 3.17 111.149 -177.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.422 ' HB3' ' HB3' ' A' ' 113' ' ' SER . 31.1 t30 -100.45 134.71 43.0 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.824 -1.176 . . . . 2.69 107.824 169.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.628 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 4.9 m -129.38 134.16 47.73 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.802 0.334 . . . . 1.93 111.254 -173.417 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -149.22 147.03 27.92 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.039 -0.528 . . . . 3.73 110.277 175.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 31.9 m -88.13 124.37 33.73 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.312 -0.858 . . . . 1.67 110.369 -174.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 33.1 m -131.93 134.77 46.04 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.585 -0.734 . . . . 2.24 109.425 -178.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.443 ' HB ' ' HB3' ' A' ' 105' ' ' ASP . 15.3 p -78.34 137.65 38.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.919 0.39 . . . . 2.78 111.218 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.1 p -86.57 122.72 30.89 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 109.743 -0.466 . . . . 2.69 109.743 176.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.528 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 18.5 p-80 -104.85 121.93 44.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.131 -0.486 . . . . 3.71 110.411 -177.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.582 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 7.4 t -112.62 160.86 17.45 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.815 -0.809 . . . . 1.48 108.815 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.406 ' CE1' ' HB3' ' A' ' 103' ' ' ARG . 97.7 m-85 -102.89 117.87 35.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.059 0.456 . . . . 1.75 110.621 -175.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.5 m -109.96 153.39 11.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.508 -0.769 . . . . 1.08 110.384 -177.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -91.56 105.33 17.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.466 -0.788 . . . . 3.82 109.461 -176.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.38 144.15 51.1 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.068 0.461 . . . . 1.13 111.708 -174.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 26.8 tp -76.86 104.43 7.35 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.334 -0.617 . . . . 1.45 109.334 175.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.419 HG22 ' HA ' ' A' ' 38' ' ' VAL . 58.0 p -121.09 154.8 35.66 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.909 -0.587 . . . . 1.14 109.452 -178.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.454 ' CG2' ' HB ' ' A' ' 37' ' ' THR . 10.6 t -96.06 121.88 38.29 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 119.785 -0.766 . . . . 1.32 109.757 178.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -65.45 -26.59 68.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.755 -1.111 . . . . 2.47 109.844 -178.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -176.37 -64.31 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.801 -1.185 . . . . 3.09 107.801 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -137.13 30.65 2.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.561 0.696 . . . . 3.29 109.418 172.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -144.12 117.94 9.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.143 -0.935 . . . . 2.74 109.857 -176.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.61 125.57 29.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.32 -0.4 . . . . 1.44 110.897 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.41 150.03 38.49 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.011 -0.541 . . . . 1.38 110.043 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -79.58 100.55 7.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.978 0.418 . . . . 2.35 110.215 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -100.24 169.0 9.43 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.833 -0.621 . . . . 3.48 110.15 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -106.77 101.5 10.94 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.748 -0.834 . . . . 1.98 108.748 178.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 40.0 pt -112.29 142.63 24.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.168 0.508 . . . . 0.86 110.702 -172.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.582 ' HA ' ' O ' ' A' ' 85' ' ' THR . 7.5 ppt_? -82.78 132.02 35.18 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.727 -0.67 . . . . 3.71 110.985 -177.201 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.528 ' O ' ' HA ' ' A' ' 84' ' ' HIS . 47.5 pt -123.0 145.89 29.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.444 -0.798 . . . . 0.83 109.064 172.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.443 ' HB3' ' HB ' ' A' ' 82' ' ' THR . 17.2 m-20 -85.11 97.22 9.75 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.694 -0.854 . . . . 1.69 108.694 178.588 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.8 t -91.73 -13.76 31.1 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.908 -0.587 . . . . 2.29 112.236 -167.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -158.41 164.14 36.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.575 0.226 . . . . 1.14 110.839 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.524 ' HB3' ' OG ' ' A' ' 17' ' ' SER . 44.5 t -122.49 115.82 22.87 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.315 -0.624 . . . . 1.56 109.315 177.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 19.9 m -117.89 153.3 19.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.948 0.404 . . . . 1.07 111.007 -174.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.628 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 41.9 t -94.66 114.8 26.79 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.942 -0.762 . . . . 1.45 108.942 173.198 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 34.4 m -96.16 142.47 13.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 C-N-CA 120.569 -0.452 . . . . 1.52 109.92 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' B' ' 12' ' ' PHE . 58.9 mt -102.36 139.53 37.85 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.247 0.546 . . . . 1.67 110.661 -177.675 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.422 ' HB3' ' HB3' ' A' ' 77' ' ' ASN . 8.8 t -125.14 144.56 50.37 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 108.416 -0.957 . . . . 2.62 108.416 173.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 116.529 -0.305 . . . . 6.73 111.256 -175.198 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 12' ' ' PHE . . . . . 0.415 ' HB2' ' O ' ' A' ' 112' ' ' LEU . 44.9 m-85 . . . . . 0 N--CA 1.45 -0.45 0 CA-C-O 121.523 0.677 . . . . 3.65 109.265 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 15.9 m -59.03 127.33 31.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.75 -1.114 . . . . 2.42 111.329 -176.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 28.9 m -68.55 -25.69 31.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.998 -0.546 . . . . 1.41 110.509 176.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 75.1 m -127.91 126.68 41.97 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.745 -0.835 . . . . 1.75 108.745 173.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' ASP . . . . . 0.587 ' HB3' ' HB3' ' B' ' 60' ' ' ALA . 9.1 t70 -66.43 115.46 6.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.084 0.469 . . . . 2.87 109.974 -175.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' SER . . . . . 0.522 ' OG ' ' HB3' ' B' ' 108' ' ' CYS . 23.1 m -113.31 146.3 39.64 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.76 -0.655 . . . . 1.72 111.495 -172.575 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' B' ' 56' ' ' THR . 2.8 p -119.5 115.79 48.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.916 -0.584 . . . . 1.51 110.22 174.5 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.1 m -101.58 122.01 43.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.064 -0.517 . . . . 1.66 110.792 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 62.0 t -130.74 138.63 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.066 -0.515 . . . . 1.03 110.418 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -87.0 95.38 9.91 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.79 -0.819 . . . . 1.61 108.79 171.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 65.9 t -86.87 118.82 33.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.433 -0.803 . . . . 0.96 110.877 -173.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.91 10.78 37.77 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 111.141 -0.784 . . . . 1.27 111.141 175.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -113.33 14.33 19.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 3.01 110.894 -178.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.494 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 81.0 tttt -77.69 101.29 6.55 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.378 -0.601 . . . . 1.32 109.378 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 9.6 t -96.2 -5.37 40.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.296 -0.411 . . . . 1.82 111.828 -172.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' B' ' 36' ' ' VAL . 1.2 p -142.48 135.81 28.78 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.795 0.331 . . . . 1.0 111.077 178.002 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.18 166.23 26.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.278 -0.419 . . . . 0.79 110.772 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 3.6 m -100.52 117.96 35.74 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.152 -0.476 . . . . 1.01 110.417 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -70.07 163.4 26.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.112 -0.495 . . . . 1.84 109.669 175.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.3 tt -59.86 -25.76 33.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.003 0.43 . . . . 1.33 111.417 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -80.53 -7.97 59.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.365 -0.379 . . . . 2.22 111.19 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.9 12.57 52.46 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.849 -0.691 . . . . 1.25 112.205 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -83.94 132.27 34.78 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.579 -0.156 . . . . 2.14 110.579 -179.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -82.73 113.77 20.62 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.296 -1.002 . . . . 2.19 108.296 170.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' B' ' 27' ' ' THR . 27.1 m -114.58 152.87 16.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 116.211 -0.449 . . . . 1.01 111.154 -175.353 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' THR . . . . . 0.457 ' HB ' ' CG2' ' B' ' 92' ' ' THR . 25.9 m -85.34 106.57 16.82 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.271 -0.877 . . . . 1.04 109.552 178.605 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.494 ' HB ' ' O ' ' B' ' 25' ' ' LYS . 42.7 t -80.66 135.96 24.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 115.849 -0.614 . . . . 1.1 109.892 -178.297 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 76.6 mt -86.78 114.04 23.11 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.039 -0.528 . . . . 1.91 110.105 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.525 ' O ' ' HA ' ' B' ' 50' ' ' ARG . . . -64.5 -37.18 86.66 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 108.766 -0.827 . . . . 2.18 108.766 174.286 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.418 ' HB3' ' CG1' ' B' ' 48' ' ' VAL . 42.2 mm-40 -106.2 114.41 28.53 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.639 -1.164 . . . . 3.59 108.334 172.539 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.601 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 35.4 m -99.75 135.72 34.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 120.984 0.421 . . . . 2.39 110.74 -178.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -95.57 98.76 10.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.961 -0.563 . . . . 3.25 109.615 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 66.6 mt -115.19 96.12 4.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.227 -0.442 . . . . 2.77 110.099 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 59.01 48.66 10.52 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.681 -0.69 . . . . 3.84 110.523 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 67.51 16.73 9.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.202 -0.908 . . . . 4.76 111.447 178.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 14.3 t -113.59 115.02 27.27 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.451 -0.944 . . . . 3.33 108.451 173.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.601 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 20.2 t -109.63 123.34 65.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.251 -0.431 . . . . 2.38 110.882 -174.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' PHE . . . . . 0.459 ' O ' HG22 ' B' ' 42' ' ' VAL . 36.0 p90 -156.51 167.75 29.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.496 -0.32 . . . . 4.13 110.787 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.525 ' HA ' ' O ' ' B' ' 40' ' ' ALA . 90.5 mtm180 -88.05 128.5 35.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 4.84 110.871 -179.223 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.528 HE21 HG21 ' B' ' 42' ' ' VAL . 49.9 mm-40 -77.88 -38.52 45.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.543 -0.753 . . . . 4.56 112.638 -176.478 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 68.81 143.5 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.636 0 O-C-N 123.658 0.599 . . . . 2.45 111.317 -176.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -130.63 142.04 50.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.726 -0.67 . . . . 1.16 110.128 176.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -85.81 94.97 9.27 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.963 0.411 . . . . 3.56 110.316 -176.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -101.2 113.22 26.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.897 -0.592 . . . . 1.49 110.339 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 91.5 m -108.98 112.1 24.13 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.69 -0.485 . . . . 1.07 109.69 175.59 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -106.56 147.07 29.88 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.171 -0.468 . . . . 2.48 111.187 -173.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 36.0 m -81.29 89.08 6.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.632 -0.713 . . . . 1.73 109.449 176.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -76.03 -18.79 59.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.644 0.259 . . . . 3.49 110.743 -177.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ALA . . . . . 0.587 ' HB3' ' HB3' ' B' ' 16' ' ' ASP . . . -142.46 86.34 1.95 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.286 -0.416 . . . . 2.58 110.517 175.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 16.4 m -79.98 132.24 35.98 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.872 -0.604 . . . . 2.76 109.637 177.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 16.7 m120 60.14 67.87 1.57 Allowed Pre-proline 0 N--CA 1.467 0.392 0 O-C-N 123.445 0.466 . . . . 2.59 110.44 -174.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -61.51 -32.29 88.09 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.608 2.206 . . . . 2.57 112.234 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 24.0 m -98.96 154.6 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.128 -0.487 . . . . 2.53 109.887 177.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -81.41 70.17 8.21 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.371 0.605 . . . . 4.2 110.283 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 13.8 p -174.18 -70.01 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.055 -0.975 . . . . 3.9 109.466 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.87 -91.08 0.08 OUTLIER Glycine 0 N--CA 1.442 -0.965 0 CA-C-N 115.493 -0.776 . . . . 2.6 111.68 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 96.6 m -134.64 157.21 47.2 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.742 0.306 . . . . 1.74 110.8 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -61.98 114.09 3.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.591 -0.731 . . . . 3.95 111.105 -177.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 99.78 -22.32 40.95 Favored Glycine 0 N--CA 1.454 -0.137 0 C-N-CA 120.671 -0.776 . . . . 1.6 113.046 175.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 36.9 mm -77.7 138.1 21.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.721 0.296 . . . . 1.65 111.264 -177.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -71.1 95.81 1.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.053 -0.721 . . . . 3.32 109.053 171.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 12.4 t -83.54 13.89 4.19 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.166 -0.47 . . . . 4.63 110.999 -174.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -96.31 -41.87 8.43 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.87 -0.418 . . . . 3.06 109.87 177.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -95.65 -17.88 20.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.925 -0.579 . . . . 3.51 110.558 177.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -123.65 144.12 49.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.952 -0.567 . . . . 3.17 111.113 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' ASN . . . . . 0.407 ' HB3' ' HB3' ' B' ' 113' ' ' SER . 29.9 t30 -100.06 134.6 42.73 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 107.816 -1.179 . . . . 2.7 107.816 169.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.632 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 5.1 m -129.2 134.41 47.99 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 120.846 0.355 . . . . 1.93 111.113 -173.506 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -149.38 147.08 27.87 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 116.071 -0.513 . . . . 3.73 110.252 175.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 32.8 m -88.36 124.17 33.65 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.403 -0.817 . . . . 1.67 110.525 -173.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 34.6 m -131.8 135.04 46.45 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.57 -0.741 . . . . 2.25 109.337 -178.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.472 ' HB ' ' HB3' ' B' ' 105' ' ' ASP . 13.9 p -78.48 137.81 38.13 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.845 0.355 . . . . 2.78 111.139 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 20.5 p -86.58 122.53 30.63 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 109.766 -0.457 . . . . 2.69 109.766 176.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' HIS . . . . . 0.51 ' HA ' ' O ' ' B' ' 104' ' ' ILE . 18.7 p-80 -104.57 121.89 44.45 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.099 -0.501 . . . . 3.71 110.521 -178.048 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.595 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 7.2 t -112.55 160.88 17.38 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.865 -0.791 . . . . 1.48 108.865 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.406 ' CE1' ' HB3' ' B' ' 103' ' ' ARG . 97.5 m-85 -102.91 117.91 35.65 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.988 0.423 . . . . 1.75 110.477 -175.615 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 27.6 m -110.02 153.36 11.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.625 -0.716 . . . . 1.08 110.287 -177.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -91.63 105.19 17.55 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.401 -0.818 . . . . 3.82 109.434 -176.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.33 144.19 51.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.964 0.411 . . . . 1.13 111.706 -174.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 27.0 tp -76.91 104.46 7.42 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.313 -0.625 . . . . 1.45 109.313 175.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 91' ' ' THR . . . . . 0.427 HG22 ' HA ' ' B' ' 38' ' ' VAL . 60.1 p -121.21 154.79 35.81 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.854 -0.612 . . . . 1.15 109.401 -178.448 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 92' ' ' THR . . . . . 0.457 ' CG2' ' HB ' ' B' ' 37' ' ' THR . 10.8 t -96.03 121.78 38.16 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 119.885 -0.726 . . . . 1.32 109.645 179.075 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.58 -26.54 67.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.784 -1.098 . . . . 2.46 109.941 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -176.35 -64.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 107.894 -1.15 . . . . 3.09 107.894 179.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -137.29 30.93 2.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.662 0.744 . . . . 3.3 109.243 171.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -144.03 118.12 9.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.077 -0.965 . . . . 2.74 109.905 -175.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.94 125.67 30.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.352 -0.385 . . . . 1.44 110.633 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.72 149.56 37.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.804 -0.634 . . . . 1.39 110.201 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -79.11 100.63 7.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.034 0.445 . . . . 2.35 110.387 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -100.42 168.84 9.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.833 -0.621 . . . . 3.48 110.071 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -106.65 101.43 10.88 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.699 -0.852 . . . . 1.98 108.699 178.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 40.4 pt -112.22 142.61 24.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.196 0.522 . . . . 0.86 110.845 -172.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 103' ' ' ARG . . . . . 0.595 ' HA ' ' O ' ' B' ' 85' ' ' THR . 7.5 ppt_? -82.8 131.95 35.18 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.712 -0.676 . . . . 3.72 110.866 -177.215 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 104' ' ' ILE . . . . . 0.51 ' O ' ' HA ' ' B' ' 84' ' ' HIS . 47.8 pt -122.97 145.84 29.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.242 -0.89 . . . . 0.83 109.031 172.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 105' ' ' ASP . . . . . 0.472 ' HB3' ' HB ' ' B' ' 82' ' ' THR . 16.6 m-20 -85.39 97.4 9.97 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.735 -0.839 . . . . 1.69 108.735 178.578 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 10.2 t -91.88 -13.72 30.83 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.781 -0.645 . . . . 2.29 112.104 -167.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -158.17 164.4 36.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.544 0.211 . . . . 1.15 110.873 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 108' ' ' CYS . . . . . 0.522 ' HB3' ' OG ' ' B' ' 17' ' ' SER . 44.4 t -122.74 115.77 22.61 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.278 -0.638 . . . . 1.56 109.278 177.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 19.7 m -117.86 153.4 19.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.88 0.371 . . . . 1.08 110.928 -174.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.632 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 41.5 t -94.86 114.95 26.87 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.924 -0.769 . . . . 1.45 108.924 173.227 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 34.7 m -96.24 142.44 13.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.784 -0.45 . . . . 1.52 109.784 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 58.6 mt -102.35 139.5 37.87 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.221 0.534 . . . . 1.67 110.697 -177.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.407 ' HB3' ' HB3' ' B' ' 77' ' ' ASN . 8.7 t -125.02 144.42 50.4 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 108.523 -0.917 . . . . 2.62 108.523 173.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 . . . . . 0 C--N 1.321 -0.639 0 CA-C-N 116.546 -0.297 . . . . 6.72 111.353 -175.123 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 121.01 0.434 . . . . 3.65 109.844 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.9 p -77.46 144.18 37.98 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.986 -0.552 . . . . 2.42 110.329 -178.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.3 m -61.91 -20.32 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-N 115.928 -0.578 . . . . 1.41 111.709 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.488 ' HB2' ' SG ' ' A' ' 110' ' ' CYS . 28.7 t -142.78 150.3 39.83 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.9 -0.778 . . . . 1.75 108.9 177.572 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -82.06 138.97 34.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.146 0.498 . . . . 2.87 110.811 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.0 p -138.46 150.91 46.92 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.955 -0.566 . . . . 1.72 111.113 -175.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.522 ' HB ' ' NE ' ' A' ' 59' ' ' ARG . 4.6 p -123.5 118.29 53.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.05 -0.523 . . . . 1.51 110.441 176.36 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.5 m -93.95 124.34 37.9 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.234 -0.439 . . . . 1.66 110.454 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 67.9 t -119.67 137.84 52.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.225 -0.443 . . . . 1.03 110.729 -177.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.428 ' HA ' ' O ' ' A' ' 53' ' ' PHE . 95.3 m95 -96.63 96.63 8.77 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.219 -0.66 . . . . 1.61 109.219 173.244 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.4 t -77.48 121.04 29.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.728 -0.669 . . . . 0.96 109.975 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.11 8.03 33.11 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.509 -0.853 . . . . 1.27 112.452 -178.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -148.18 47.18 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 3.02 110.964 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -71.89 131.78 43.48 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.357 -0.608 . . . . 1.32 109.357 177.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.6 t -103.77 -34.17 8.66 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.162 0.43 . . . . 1.82 112.162 -172.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.0 p -140.66 148.03 40.2 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.009 -0.432 . . . . 1.01 111.587 -177.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -149.16 170.52 18.24 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.827 -0.624 . . . . 0.79 110.209 175.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.6 m -108.71 119.34 39.24 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.053 -0.522 . . . . 1.02 110.29 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.484 ' OD1' ' HB3' ' A' ' 100' ' ' ARG . 19.6 t70 -68.59 159.78 31.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.5 -0.773 . . . . 1.85 109.677 177.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.0 tt -58.87 -21.39 19.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 122.722 0.409 . . . . 1.33 111.566 -178.147 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -82.9 -9.6 59.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.909 0.385 . . . . 2.22 111.032 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.29 16.86 36.17 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.827 -0.701 . . . . 1.25 112.501 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -94.05 140.81 29.26 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.583 0.23 . . . . 2.14 110.809 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -85.84 115.27 23.37 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.103 -0.703 . . . . 2.19 109.103 173.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -117.9 150.96 19.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 116.076 -0.511 . . . . 1.02 111.125 -175.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.468 ' HB ' ' CG2' ' A' ' 92' ' ' THR . 17.8 m -83.37 118.32 23.62 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 115.539 -0.755 . . . . 1.04 109.493 178.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.468 ' HA ' HG22 ' A' ' 91' ' ' THR . 97.5 t -82.61 135.7 24.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.119 -0.491 . . . . 1.1 110.681 -175.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 66.1 mt -104.56 105.67 15.86 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 109.345 -0.613 . . . . 1.91 109.345 178.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.54 -28.41 69.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.531 0.681 . . . . 2.18 109.825 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.416 ' HG2' ' HG2' ' A' ' 50' ' ' ARG . 37.5 mt-10 -106.64 126.19 51.96 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.886 -1.052 . . . . 3.59 108.871 174.266 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.2 m -88.85 122.7 40.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 121.461 0.648 . . . . 2.4 110.363 -176.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -86.88 98.34 11.16 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.295 -0.866 . . . . 3.25 110.131 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.428 ' HB ' ' HB2' ' A' ' 47' ' ' SER . 77.6 mt -117.06 148.31 19.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 108.222 -1.029 . . . . 2.77 108.222 176.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -58.47 108.93 0.69 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.749 0.309 . . . . 3.84 110.692 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.19 28.39 3.06 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.198 -0.91 . . . . 4.76 110.896 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.428 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 67.7 m -157.76 114.29 2.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.892 0.377 . . . . 3.33 110.76 175.572 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 52.1 t -132.36 115.78 26.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 2.37 109.923 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -149.38 157.5 43.37 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.736 0.303 . . . . 4.13 111.039 -178.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.416 ' HG2' ' HG2' ' A' ' 41' ' ' GLU . 62.3 mtp180 -84.95 124.94 32.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.802 -0.636 . . . . 4.84 111.005 -176.296 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.496 ' HB3' ' HD2' ' B' ' 88' ' ' LYS . 15.9 mm100 -112.61 100.84 9.04 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.66 -0.7 . . . . 4.56 109.887 179.168 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -67.98 167.7 13.28 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.253 -0.431 . . . . 2.46 111.545 -173.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.428 ' O ' ' HA ' ' A' ' 21' ' ' TRP . 80.0 m-85 -124.76 136.73 54.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.958 -0.564 . . . . 1.16 110.806 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -94.11 101.59 13.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.313 -0.403 . . . . 3.56 110.101 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -121.04 121.87 38.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.933 0.396 . . . . 1.49 110.536 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.2 m -106.82 127.95 53.84 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.002 -0.545 . . . . 1.07 110.516 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -112.24 157.84 20.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.201 -0.454 . . . . 2.48 110.3 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.453 ' SG ' HG23 ' A' ' 82' ' ' THR . 70.6 m -79.39 125.15 29.16 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.239 -0.437 . . . . 1.73 110.363 179.125 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.522 ' NE ' ' HB ' ' A' ' 18' ' ' VAL . 87.3 mtt180 -81.51 88.68 6.16 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.936 -0.394 . . . . 3.48 109.936 176.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 60.28 86.91 0.09 Allowed 'General case' 0 C--O 1.233 0.201 0 O-C-N 123.87 0.731 . . . . 2.58 110.308 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.6 m -52.69 135.79 34.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.662 -0.699 . . . . 2.76 111.546 -176.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 70.97 81.46 0.18 Allowed Pre-proline 0 C--O 1.234 0.258 0 CA-C-N 115.375 -0.83 . . . . 2.59 110.312 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.51 -27.08 81.63 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.007 2.471 . . . . 2.57 112.95 -177.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 36.0 m -117.78 159.49 17.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.829 0.347 . . . . 2.53 110.113 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -70.43 -8.93 54.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 4.19 111.687 -173.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.42 ' HB3' ' HB3' ' A' ' 73' ' ' SER . 19.7 m -105.26 16.08 26.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.029 0.442 . . . . 3.9 110.591 177.411 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.97 -106.33 2.57 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.837 -0.697 . . . . 2.6 111.886 178.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 85.2 m -110.62 145.83 37.22 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.969 0.414 . . . . 1.73 110.387 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 45.2 ttm180 -67.5 119.2 11.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.663 -0.699 . . . . 3.94 111.185 -173.031 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 111.89 -27.18 10.59 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.719 -0.753 . . . . 1.61 112.575 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.9 mm -74.67 134.43 29.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.812 0.339 . . . . 1.65 111.325 -177.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -70.28 115.03 9.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 3.32 109.801 175.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.42 ' HB3' ' HB3' ' A' ' 66' ' ' SER . 4.8 p -85.79 6.46 27.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.102 -0.499 . . . . 4.63 112.204 -173.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -96.14 -44.06 7.47 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.777 0.322 . . . . 3.06 110.21 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -90.96 -30.34 16.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.983 -0.553 . . . . 3.51 110.741 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.466 ' CE3' ' HB3' ' A' ' 112' ' ' LEU . 98.8 m95 -127.85 156.4 42.61 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.916 -0.584 . . . . 3.17 110.774 -177.059 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.539 ' OD1' ' HB3' ' A' ' 113' ' ' SER . 3.0 p-10 -125.28 141.3 52.16 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 107.782 -1.192 . . . . 2.69 107.782 165.202 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.54 ' HA ' ' O ' ' A' ' 111' ' ' VAL . 8.4 t -134.75 144.39 47.68 Favored 'General case' 0 C--N 1.315 -0.904 0 C-N-CA 120.676 -0.41 . . . . 1.93 110.639 -174.405 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -144.39 150.35 37.59 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.775 -0.648 . . . . 3.73 110.19 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.703 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 44.5 m -79.59 121.34 25.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.28 -0.873 . . . . 1.67 110.842 -176.287 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 46.6 m -131.25 131.04 43.62 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.884 -0.598 . . . . 2.24 109.793 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.465 ' HB ' ' HB3' ' A' ' 105' ' ' ASP . 6.3 p -73.98 121.24 20.72 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 121.007 0.432 . . . . 2.78 110.917 177.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.4 t -79.1 138.97 38.17 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 121.256 0.551 . . . . 2.69 110.083 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -103.49 126.65 50.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.562 -0.745 . . . . 3.71 109.969 -173.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.496 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 13.8 t -117.35 158.03 25.12 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.007 -0.738 . . . . 1.48 109.007 177.005 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.429 ' HB3' ' HB3' ' A' ' 101' ' ' PHE . 86.9 m-85 -104.66 115.98 31.27 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.919 -0.401 . . . . 1.75 109.919 -177.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' A' ' 101' ' ' PHE . 17.3 m -111.17 147.22 15.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.313 0.578 . . . . 1.08 111.562 -176.494 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.492 ' HD2' ' HB3' ' B' ' 51' ' ' GLN . 36.8 pttt -80.55 100.89 8.82 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.726 -1.125 . . . . 3.82 110.855 -179.277 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.62 148.27 50.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.715 -0.675 . . . . 1.13 110.71 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.6 tp -75.38 112.0 11.25 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.474 -0.565 . . . . 1.45 109.474 176.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.468 HG22 ' HA ' ' A' ' 38' ' ' VAL . 73.7 p -129.06 159.75 34.96 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.165 -0.47 . . . . 1.14 109.953 -178.086 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.468 ' CG2' ' HB ' ' A' ' 37' ' ' THR . 9.6 t -121.13 122.12 39.33 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.231 0.539 . . . . 1.32 109.947 176.201 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -80.18 -22.06 42.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.799 -0.637 . . . . 2.47 110.586 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -163.33 -67.15 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.913 -0.585 . . . . 3.09 110.225 -178.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -121.03 -54.13 2.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.997 0.427 . . . . 3.29 111.266 -177.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -78.61 151.25 32.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.15 -0.477 . . . . 2.74 111.265 -175.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.5 127.95 49.33 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.622 -0.717 . . . . 1.44 109.759 176.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -136.48 147.26 47.07 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.783 0.325 . . . . 1.38 110.942 -177.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -78.05 94.57 4.68 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.599 -0.519 . . . . 2.35 109.599 177.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.484 ' HB3' ' OD1' ' A' ' 30' ' ' ASP . 13.9 mmm180 -104.95 161.57 14.09 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.322 -0.854 . . . . 3.48 110.298 -174.53 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.49 ' HA ' ' O ' ' A' ' 87' ' ' VAL . 90.4 m-85 -98.85 110.2 22.84 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.635 -0.505 . . . . 1.98 109.635 176.092 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 28.7 pt -113.33 147.1 17.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.06 -0.518 . . . . 0.86 110.904 -174.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.496 ' HA ' ' O ' ' A' ' 85' ' ' THR . 1.3 ptm180 -78.39 115.31 18.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.439 0.638 . . . . 3.71 111.617 -178.022 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 45.0 pt -116.06 150.1 18.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 109.163 -0.68 . . . . 0.83 109.163 170.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.465 ' HB3' ' HB ' ' A' ' 82' ' ' THR . 5.5 m-20 -84.28 107.33 16.52 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.917 -0.771 . . . . 1.69 108.917 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.7 t -94.16 -25.05 17.28 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.539 0.57 . . . . 2.29 112.539 -168.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.43 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -158.76 160.54 36.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.636 0.255 . . . . 1.14 110.957 -176.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.703 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 51.0 t -107.73 115.14 29.6 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.108 -0.701 . . . . 1.56 109.108 178.044 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 24.6 m -116.01 146.42 20.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.893 0.378 . . . . 1.07 111.033 -174.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.488 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 69.5 m -89.3 112.4 23.46 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.15 -0.477 . . . . 1.45 109.978 175.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.54 ' O ' ' HA ' ' A' ' 78' ' ' SER . 27.0 m -89.59 144.76 8.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.106 -0.497 . . . . 1.52 110.308 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.466 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . 84.3 mt -106.49 139.18 41.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.944 0.402 . . . . 1.67 111.256 -178.426 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.539 ' HB3' ' OD1' ' A' ' 77' ' ' ASN . 20.3 t -132.22 146.59 52.11 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.875 -0.602 . . . . 2.62 109.387 173.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.441 ' O ' ' HG3' ' A' ' 114' ' ' ARG . 20.6 tpp180 . . . . . 0 CA--C 1.537 0.457 0 CA-C-N 116.08 -0.509 . . . . 6.73 111.523 -174.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 109.747 -0.464 . . . . 3.65 109.747 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 41.7 p -77.54 144.04 37.93 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.039 -0.528 . . . . 2.42 110.305 -178.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.5 m -61.75 -20.06 22.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 115.911 -0.586 . . . . 1.41 111.897 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.486 ' HB2' ' SG ' ' B' ' 110' ' ' CYS . 28.1 t -142.94 150.48 39.8 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.874 -0.787 . . . . 1.75 108.874 177.725 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -82.61 138.96 34.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.143 0.497 . . . . 2.87 110.789 -179.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 28.4 p -138.61 150.75 46.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.902 -0.59 . . . . 1.72 111.11 -175.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.514 ' HB ' ' NE ' ' B' ' 59' ' ' ARG . 4.4 p -123.42 117.99 53.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.046 -0.525 . . . . 1.51 110.456 176.528 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 50.5 m -93.57 124.37 37.52 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.236 -0.438 . . . . 1.66 110.519 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 69.4 t -119.54 137.92 51.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.269 -0.423 . . . . 1.03 110.682 -177.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' TRP . . . . . 0.443 ' HA ' ' O ' ' B' ' 53' ' ' PHE . 95.3 m95 -96.78 96.46 8.59 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.279 -0.637 . . . . 1.61 109.279 173.181 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 48.0 t -77.1 121.31 29.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.578 -0.737 . . . . 0.96 110.048 -178.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.53 8.02 32.26 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.525 -0.845 . . . . 1.27 112.444 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -147.98 46.67 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 3.01 111.065 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -71.31 132.06 44.34 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.275 -0.639 . . . . 1.32 109.275 177.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 14.1 t -104.1 -33.79 8.63 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.173 0.435 . . . . 1.82 112.173 -172.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.7 p -141.07 148.49 40.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.922 0.391 . . . . 1.0 111.45 -178.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -149.52 170.17 19.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.788 -0.642 . . . . 0.79 110.273 175.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 31.2 m -108.05 119.43 39.45 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.171 -0.468 . . . . 1.01 110.336 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ASP . . . . . 0.483 ' OD1' ' HB3' ' B' ' 100' ' ' ARG . 19.1 t70 -68.65 159.71 31.57 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.483 -0.78 . . . . 1.84 109.659 177.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 16.0 tt -58.94 -21.14 18.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-N 116.335 -0.393 . . . . 1.33 111.679 -178.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -83.14 -9.35 59.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.401 -0.363 . . . . 2.22 110.978 178.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.99 16.96 36.6 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.798 -0.715 . . . . 1.25 112.478 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -94.22 140.23 30.03 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.509 0.195 . . . . 2.14 110.856 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -85.17 115.45 22.97 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.012 -0.736 . . . . 2.19 109.012 173.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -118.09 150.97 20.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 116.14 -0.482 . . . . 1.01 111.08 -175.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' THR . . . . . 0.468 ' HB ' HG23 ' B' ' 92' ' ' THR . 16.1 m -82.8 118.36 23.34 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.391 -0.822 . . . . 1.04 109.533 178.325 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.467 ' HA ' HG22 ' B' ' 91' ' ' THR . 98.3 t -82.66 135.99 23.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 116.098 -0.501 . . . . 1.1 110.563 -176.101 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 65.5 mt -104.77 105.75 15.96 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.38 -0.6 . . . . 1.91 109.38 177.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.49 -28.46 69.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.452 0.644 . . . . 2.18 109.819 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.421 ' HG2' ' HG2' ' B' ' 50' ' ' ARG . 37.8 mt-10 -106.58 126.41 52.23 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.998 -1.001 . . . . 3.59 108.674 174.343 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 28.0 m -88.97 122.44 40.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-O 121.45 0.643 . . . . 2.39 110.453 -176.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -86.74 98.29 11.07 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.297 -0.865 . . . . 3.25 110.136 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.426 ' HB ' ' HB2' ' B' ' 47' ' ' SER . 77.4 mt -116.82 148.67 19.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 108.249 -1.019 . . . . 2.77 108.249 176.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -58.53 109.35 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.666 0.27 . . . . 3.84 110.609 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 70.49 28.35 3.69 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.221 -0.9 . . . . 4.76 110.994 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' SER . . . . . 0.426 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 71.6 m -157.65 114.36 2.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.789 0.328 . . . . 3.33 110.837 175.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 54.2 t -132.43 116.05 27.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.832 -0.433 . . . . 2.38 109.832 176.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -149.66 157.22 43.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.797 0.332 . . . . 4.13 110.945 -178.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.421 ' HG2' ' HG2' ' B' ' 41' ' ' GLU . 62.2 mtp180 -84.35 125.24 32.11 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.777 -0.647 . . . . 4.84 111.122 -176.494 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.492 ' HB3' ' HD2' ' A' ' 88' ' ' LYS . 15.9 mm100 -112.85 100.59 8.78 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.687 -0.688 . . . . 4.56 109.96 179.06 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -67.53 167.92 11.96 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 120.971 0.415 . . . . 2.45 111.698 -173.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' PHE . . . . . 0.443 ' O ' ' HA ' ' B' ' 21' ' ' TRP . 79.9 m-85 -124.88 136.77 54.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.9 -0.591 . . . . 1.16 110.749 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -94.28 101.75 13.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.311 -0.404 . . . . 3.56 110.012 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -121.2 121.73 38.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.89 0.376 . . . . 1.49 110.534 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 61.4 m -106.61 128.15 53.92 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.982 -0.554 . . . . 1.07 110.501 -178.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -112.34 157.69 20.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.232 -0.44 . . . . 2.48 110.35 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' CYS . . . . . 0.469 ' SG ' HG23 ' B' ' 82' ' ' THR . 68.9 m -79.25 125.42 29.45 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.3 -0.409 . . . . 1.73 110.33 179.039 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' ARG . . . . . 0.514 ' NE ' ' HB ' ' B' ' 18' ' ' VAL . 87.3 mtt180 -81.95 88.91 6.35 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.87 -0.419 . . . . 3.49 109.87 176.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . 59.92 87.15 0.09 Allowed 'General case' 0 C--O 1.233 0.206 0 O-C-N 123.76 0.662 . . . . 2.58 110.238 -176.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 39.8 m -52.38 135.99 32.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.46 -0.791 . . . . 2.76 111.353 -176.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 70.52 81.5 0.19 Allowed Pre-proline 0 C--O 1.232 0.182 0 CA-C-N 115.357 -0.838 . . . . 2.59 110.233 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -61.26 -27.3 83.21 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 122.866 2.377 . . . . 2.57 112.99 -177.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 35.4 m -117.69 159.75 17.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.992 -0.373 . . . . 2.53 109.992 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -70.83 -8.76 54.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.119 -0.491 . . . . 4.2 111.663 -173.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' SER . . . . . 0.417 ' HB3' ' HB3' ' B' ' 73' ' ' SER . 19.5 m -105.53 16.51 25.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.096 0.474 . . . . 3.9 110.583 177.279 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.51 -106.19 2.6 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.879 -0.677 . . . . 2.6 112.077 178.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 85.0 m -110.73 145.71 37.57 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.789 0.328 . . . . 1.74 110.452 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 45.2 ttm180 -67.15 119.25 11.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.696 -0.683 . . . . 3.95 111.26 -173.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 111.8 -27.22 10.61 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.671 -0.776 . . . . 1.6 112.632 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 48.6 mm -74.78 134.17 30.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.672 0.272 . . . . 1.65 111.219 -177.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -70.0 115.25 8.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 3.32 109.866 175.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' B' ' 76' ' ' TRP . 5.2 p -86.14 6.95 26.87 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.116 -0.493 . . . . 4.63 112.134 -173.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -96.82 -43.4 7.52 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.813 0.339 . . . . 3.06 110.362 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 -91.29 -30.57 16.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.95 -0.568 . . . . 3.51 110.753 179.031 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' TRP . . . . . 0.458 ' CE3' ' HB3' ' B' ' 112' ' ' LEU . 98.7 m95 -127.88 156.23 42.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.955 -0.566 . . . . 3.17 110.79 -177.047 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 77' ' ' ASN . . . . . 0.529 ' OD1' ' HB3' ' B' ' 113' ' ' SER . 3.0 p-10 -125.32 141.15 52.24 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 107.682 -1.229 . . . . 2.7 107.682 165.278 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.561 ' HA ' ' O ' ' B' ' 111' ' ' VAL . 8.4 t -134.57 144.45 47.96 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.757 -0.377 . . . . 1.93 110.564 -174.395 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -144.4 150.59 37.97 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.778 -0.646 . . . . 3.73 110.082 175.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.704 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 45.2 m -79.72 121.45 25.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.282 -0.872 . . . . 1.67 110.71 -176.062 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 47.4 m -131.32 130.71 43.07 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.879 -0.601 . . . . 2.25 109.864 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.472 ' HB ' ' HB3' ' B' ' 105' ' ' ASP . 6.6 p -73.71 120.89 19.94 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-O 120.99 0.424 . . . . 2.78 110.957 177.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 9.7 t -79.03 139.14 38.23 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-O 121.275 0.559 . . . . 2.69 109.934 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 27.7 m-70 -103.61 126.68 50.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.459 -0.791 . . . . 3.71 110.012 -173.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.496 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 13.9 t -117.39 157.79 25.58 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.085 -0.709 . . . . 1.48 109.085 176.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.448 ' HB3' ' HB3' ' B' ' 101' ' ' PHE . 86.9 m-85 -104.5 116.01 31.35 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.022 0.439 . . . . 1.75 109.977 -177.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 87' ' ' VAL . . . . . 0.492 ' O ' ' HA ' ' B' ' 101' ' ' PHE . 17.4 m -111.12 146.96 15.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.384 0.611 . . . . 1.08 111.672 -176.505 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 88' ' ' LYS . . . . . 0.496 ' HD2' ' HB3' ' A' ' 51' ' ' GLN . 36.9 pttt -80.22 100.89 8.54 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.724 -1.126 . . . . 3.82 111.038 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.63 148.34 50.79 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.701 -0.681 . . . . 1.13 110.69 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 21.7 tp -75.6 112.0 11.5 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.431 -0.581 . . . . 1.45 109.431 176.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 91' ' ' THR . . . . . 0.467 HG22 ' HA ' ' B' ' 38' ' ' VAL . 72.1 p -128.98 159.62 35.3 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.012 -0.54 . . . . 1.15 109.921 -178.002 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 92' ' ' THR . . . . . 0.468 HG23 ' HB ' ' B' ' 37' ' ' THR . 10.1 t -121.1 122.26 39.66 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.334 0.588 . . . . 1.32 109.993 176.143 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -80.46 -21.67 41.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.799 -0.637 . . . . 2.46 110.49 -178.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -163.63 -67.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.163 -0.472 . . . . 3.09 110.216 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -120.99 -53.68 2.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.314 -0.403 . . . . 3.3 111.588 -178.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -79.02 151.69 31.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.14 -0.482 . . . . 2.74 111.267 -175.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.95 127.7 50.06 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.897 -0.592 . . . . 1.44 109.715 176.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -136.1 147.09 47.65 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.918 0.39 . . . . 1.39 110.988 -177.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -77.71 95.06 4.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.304 0.573 . . . . 2.35 109.57 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 100' ' ' ARG . . . . . 0.483 ' HB3' ' OD1' ' B' ' 30' ' ' ASP . 13.8 mmm180 -105.4 161.54 14.23 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.286 -0.87 . . . . 3.48 110.321 -174.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.492 ' HA ' ' O ' ' B' ' 87' ' ' VAL . 90.2 m-85 -98.71 110.18 22.82 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.698 -0.482 . . . . 1.98 109.698 175.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 28.9 pt -113.39 147.04 17.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.961 -0.563 . . . . 0.86 111.008 -174.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 103' ' ' ARG . . . . . 0.496 ' HA ' ' O ' ' B' ' 85' ' ' THR . 1.2 ptm180 -78.33 115.22 17.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.445 0.641 . . . . 3.72 111.564 -177.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 44.8 pt -116.02 150.1 18.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 N-CA-C 109.152 -0.684 . . . . 0.83 109.152 170.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 105' ' ' ASP . . . . . 0.472 ' HB3' ' HB ' ' B' ' 82' ' ' THR . 6.0 m-20 -84.33 107.26 16.51 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 109.016 -0.735 . . . . 1.69 109.016 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 9.8 t -94.08 -24.99 17.36 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.525 0.565 . . . . 2.29 112.525 -168.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 107' ' ' ALA . . . . . 0.433 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -158.77 160.5 36.38 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 121.054 -0.258 . . . . 1.15 110.934 -177.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 108' ' ' CYS . . . . . 0.704 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 50.2 t -107.63 115.16 29.65 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.21 -0.663 . . . . 1.56 109.21 177.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 24.5 m -115.99 146.15 20.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.839 0.352 . . . . 1.08 111.067 -174.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.486 ' SG ' ' HB2' ' B' ' 15' ' ' CYS . 69.5 m -88.97 112.51 23.44 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.291 -0.413 . . . . 1.45 109.997 175.448 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.561 ' O ' ' HA ' ' B' ' 78' ' ' SER . 27.1 m -89.78 144.76 8.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.162 -0.472 . . . . 1.52 110.344 -179.361 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.458 ' HB3' ' CE3' ' B' ' 76' ' ' TRP . 83.8 mt -106.3 139.11 41.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.911 0.386 . . . . 1.67 111.264 -178.368 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.529 ' HB3' ' OD1' ' B' ' 77' ' ' ASN . 20.1 t -132.16 146.44 52.03 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.922 -0.581 . . . . 2.62 109.459 173.736 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 114' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' B' ' 114' ' ' ARG . 20.3 tpp180 . . . . . 0 CA--C 1.537 0.479 0 CA-C-N 116.24 -0.437 . . . . 6.72 111.397 -174.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 CA--C 1.518 -0.258 0 CA-C-O 121.052 0.453 . . . . 3.65 110.145 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.4 t -90.21 156.49 18.28 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.593 -0.731 . . . . 2.42 110.31 -178.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.4 m -75.47 -17.78 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.593 -0.731 . . . . 1.41 111.031 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.645 ' HB2' ' SG ' ' A' ' 110' ' ' CYS . 42.0 t -133.27 152.37 51.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.954 -0.566 . . . . 1.75 109.936 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -94.89 115.65 27.73 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.762 -0.459 . . . . 2.87 109.762 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.481 ' OG ' ' HB3' ' A' ' 108' ' ' CYS . 17.9 m -122.65 160.63 25.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.041 -0.527 . . . . 1.72 111.246 -173.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.436 ' HB ' ' HD2' ' A' ' 59' ' ' ARG . 3.5 p -126.05 116.12 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.939 0.4 . . . . 1.51 110.698 175.568 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.421 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 49.5 m -94.85 121.14 36.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.364 -0.38 . . . . 1.66 110.184 177.592 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.3 t -119.29 138.1 51.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.042 -0.526 . . . . 1.03 110.446 -177.13 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -95.37 95.81 8.71 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.873 -0.788 . . . . 1.61 108.873 173.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.444 HG21 ' OE2' ' A' ' 55' ' ' GLU . 85.2 t -88.76 122.7 40.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.13 -0.941 . . . . 0.96 111.355 -173.097 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.87 24.68 7.83 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 110.844 -0.902 . . . . 1.27 110.844 173.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -130.44 15.65 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 3.02 111.35 -178.112 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -70.43 127.31 32.28 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.674 -0.491 . . . . 1.32 109.674 179.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.5 t -103.07 -30.71 10.58 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.834 0.309 . . . . 1.82 111.834 -175.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.5 p -138.98 142.26 38.36 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.956 0.407 . . . . 1.01 111.778 -178.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.95 167.62 22.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.715 -0.675 . . . . 0.79 110.096 177.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.3 m -108.79 118.94 38.09 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.889 0.376 . . . . 1.02 110.776 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -66.86 165.68 14.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.616 -0.72 . . . . 1.85 110.547 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.475 ' HA ' ' CE1' ' A' ' 86' ' ' PHE . 14.5 tt -59.22 -29.84 42.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.805 0.336 . . . . 1.33 111.297 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -76.96 -11.48 59.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.843 0.354 . . . . 2.22 110.844 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.33 17.78 30.57 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.984 -0.626 . . . . 1.25 112.397 178.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -95.16 138.82 32.35 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.627 0.251 . . . . 2.14 110.647 -178.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -82.53 115.41 21.5 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.539 -0.541 . . . . 2.19 109.539 175.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.0 m -115.94 152.27 17.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.098 -0.501 . . . . 1.02 110.897 -177.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.553 ' HB ' HG23 ' A' ' 92' ' ' THR . 30.9 m -88.63 121.82 31.41 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 115.592 -0.731 . . . . 1.04 109.333 177.073 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.533 ' HA ' HG22 ' A' ' 91' ' ' THR . 98.7 t -81.24 130.35 36.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.807 -0.633 . . . . 1.1 110.869 -175.344 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 75.9 mt -100.01 94.42 6.26 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.997 -0.547 . . . . 1.91 109.527 177.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.521 ' O ' ' HA ' ' A' ' 50' ' ' ARG . . . -60.54 -35.45 76.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.362 0.601 . . . . 2.18 109.619 178.122 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.486 ' HG2' ' HG2' ' A' ' 50' ' ' ARG . 23.9 mt-10 -106.66 115.27 29.9 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.06 -0.973 . . . . 3.59 108.725 175.632 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.528 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 22.5 m -99.65 140.48 18.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.896 0.379 . . . . 2.4 110.977 -175.052 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -112.45 99.3 7.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.995 -0.548 . . . . 3.25 110.016 178.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 54.4 mt -105.29 86.92 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.801 -0.444 . . . . 2.77 109.801 178.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 66.99 -77.78 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.543 -0.753 . . . . 3.84 110.933 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -133.72 2.13 3.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.482 -0.326 . . . . 4.76 110.516 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.1 m -107.94 115.32 29.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.85 0.357 . . . . 3.33 110.366 -178.13 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.528 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 38.7 t -116.0 125.6 73.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.897 -0.592 . . . . 2.37 110.148 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -145.7 165.48 28.63 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.205 -0.294 . . . . 4.13 110.205 176.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.521 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 95.5 mtt180 -106.24 136.54 45.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.229 -0.442 . . . . 4.84 111.284 -177.294 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -110.66 145.17 38.41 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.715 -0.675 . . . . 4.56 109.8 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -119.0 154.44 33.07 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.251 -0.277 . . . . 2.46 110.251 -178.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -121.41 127.52 51.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.207 -0.452 . . . . 1.16 110.711 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -84.86 103.27 13.78 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.228 0.537 . . . . 3.56 110.327 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.444 ' OE2' HG21 ' A' ' 22' ' ' VAL . 27.0 mt-10 -107.92 113.45 26.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.259 -0.428 . . . . 1.49 110.31 179.086 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.421 ' HA ' ' HA ' ' A' ' 19' ' ' SER . 36.5 m -97.22 103.42 15.35 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.071 -0.513 . . . . 1.07 109.624 176.607 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -103.05 154.27 19.43 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.677 -0.692 . . . . 2.48 110.828 -174.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.483 ' SG ' HG23 ' A' ' 82' ' ' THR . 79.5 m -80.96 110.49 16.55 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.643 -0.708 . . . . 1.73 110.9 -179.1 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.436 ' HD2' ' HB ' ' A' ' 18' ' ' VAL . 17.1 ptm180 -99.32 17.13 20.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.518 0.675 . . . . 3.48 109.371 174.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -167.21 173.2 9.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.653 -1.158 . . . . 2.58 108.81 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.611 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 29.7 t -148.74 -31.5 0.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.135 0.493 . . . . 2.76 110.618 177.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -140.27 76.85 25.61 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 108.818 -0.808 . . . . 2.59 108.818 176.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.15 -42.57 52.89 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.485 2.79 . . . . 2.57 113.682 -171.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.1 m -84.08 -55.37 7.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 112.142 0.423 . . . . 2.53 112.142 -176.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.57 ' HG3' ' H ' ' A' ' 66' ' ' SER . 7.2 pt-20 -168.8 -68.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.79 -0.187 . . . . 4.19 111.418 -177.722 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.57 ' H ' ' HG3' ' A' ' 65' ' ' GLU . 15.6 m -123.26 -9.7 8.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.832 0.349 . . . . 3.9 111.451 -176.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -136.67 -170.37 11.93 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.765 -0.731 . . . . 2.6 111.901 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 85.0 m -101.85 71.47 1.3 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.933 0.397 . . . . 1.73 111.394 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 70.93 -72.78 0.11 Allowed 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.182 -0.917 . . . . 3.94 112.254 171.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.24 -17.31 32.2 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.514 -0.85 . . . . 1.61 112.83 -176.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.53 HG21 ' OG ' ' A' ' 78' ' ' SER . 44.5 mm -65.52 124.83 21.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.894 0.347 . . . . 1.65 111.215 -176.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -68.53 106.13 2.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.005 -0.543 . . . . 3.32 109.86 174.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.3 p -70.26 -12.53 61.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.882 -0.599 . . . . 4.63 112.024 -174.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -80.74 -32.4 35.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.896 0.379 . . . . 3.06 110.628 -178.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -99.16 -30.43 12.29 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.377 -0.374 . . . . 3.51 110.928 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -126.96 140.04 52.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.228 0.537 . . . . 3.17 111.896 -176.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.508 ' HB3' ' HB3' ' A' ' 113' ' ' SER . 4.3 t-20 -93.89 134.47 36.22 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.938 -1.134 . . . . 2.69 107.938 169.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.53 ' OG ' HG21 ' A' ' 71' ' ' ILE . 16.6 m -127.09 138.94 53.29 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.104 0.478 . . . . 1.93 111.588 -176.355 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -153.43 141.95 20.79 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.364 -0.835 . . . . 3.73 109.648 172.199 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.799 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 79.9 m -81.84 123.05 28.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.599 -0.728 . . . . 1.67 110.783 -176.715 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.3 m -128.74 137.94 51.84 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.781 -0.645 . . . . 2.24 109.55 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.483 HG23 ' SG ' ' A' ' 58' ' ' CYS . 12.4 p -84.19 122.34 28.72 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 121.025 0.441 . . . . 2.78 111.45 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.0 m -76.52 134.37 39.48 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 108.96 -0.756 . . . . 2.69 108.96 174.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.49 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 72.6 m80 -106.27 122.15 45.65 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.763 0.316 . . . . 3.71 110.602 -176.273 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.716 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 3.3 t -109.09 162.16 14.51 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.598 -0.519 . . . . 1.48 109.598 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.475 ' CE1' ' HA ' ' A' ' 31' ' ' ILE . 77.5 m-85 -103.76 117.28 34.0 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.061 -0.348 . . . . 1.75 110.061 -178.576 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 20.6 m -109.22 138.62 35.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.315 0.578 . . . . 1.08 111.484 -176.139 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 17.2 pttp -69.41 103.01 1.9 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.992 -1.004 . . . . 3.82 110.914 178.26 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.32 138.98 50.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.331 -0.849 . . . . 1.13 111.213 -178.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.8 tp -73.8 107.48 6.07 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.992 -0.744 . . . . 1.45 108.992 173.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.533 HG22 ' HA ' ' A' ' 38' ' ' VAL . 77.0 p -131.14 162.8 29.1 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.121 -0.49 . . . . 1.14 109.781 -177.258 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.553 HG23 ' HB ' ' A' ' 37' ' ' THR . 4.6 t -117.33 120.5 38.38 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.232 0.539 . . . . 1.32 110.383 179.086 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -77.84 -9.73 59.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.837 -0.619 . . . . 2.47 110.639 178.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -162.26 -78.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.08 -0.509 . . . . 3.09 109.882 177.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -143.05 26.79 1.66 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.084 0.469 . . . . 3.29 110.326 178.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -133.02 117.56 17.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.705 -0.68 . . . . 2.74 109.733 -178.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.72 113.5 15.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.905 0.383 . . . . 1.44 110.865 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -130.82 146.58 52.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.124 -0.489 . . . . 1.38 110.353 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -76.49 101.81 5.77 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.097 0.475 . . . . 2.35 109.864 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.43 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 39.2 mmt180 -105.41 177.57 4.81 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.554 -0.748 . . . . 3.48 110.05 -177.383 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.47 ' HB3' ' HB3' ' A' ' 86' ' ' PHE . 74.6 m-85 -119.5 107.67 13.59 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.687 -0.857 . . . . 1.98 108.687 174.49 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 35.3 pt -111.56 143.37 21.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.983 0.421 . . . . 0.86 111.246 -171.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.716 ' HA ' ' O ' ' A' ' 85' ' ' THR . 20.4 ptp180 -82.81 125.02 30.84 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.723 -0.671 . . . . 3.71 111.229 -174.115 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.49 ' O ' ' HA ' ' A' ' 84' ' ' HIS . 46.2 pt -126.96 154.97 37.66 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 CA-C-N 115.698 -0.683 . . . . 0.83 110.663 177.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -67.18 105.14 1.62 Allowed 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.615 -0.72 . . . . 1.69 109.263 175.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.2 m -90.97 -48.44 6.99 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.164 -0.471 . . . . 2.29 111.446 -171.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.436 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -148.13 147.56 29.63 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.075 -0.511 . . . . 1.14 110.38 -178.081 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.799 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 40.4 t -102.14 109.62 21.36 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.131 -0.692 . . . . 1.56 109.131 177.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.3 m -113.84 143.7 22.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.146 -0.479 . . . . 1.07 111.545 -172.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.645 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 88.5 m -80.03 104.45 10.61 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.894 -0.593 . . . . 1.45 109.492 172.615 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 32.0 m -89.33 147.29 5.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.533 -0.543 . . . . 1.52 109.533 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.7 mt -102.02 138.94 38.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.428 0.632 . . . . 1.67 110.911 -175.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.508 ' HB3' ' HB3' ' A' ' 77' ' ' ASN . 15.1 t -128.32 153.5 46.94 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.262 -0.881 . . . . 2.62 109.641 177.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.5 . . . . 6.73 111.831 -175.139 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 120.998 0.428 . . . . 3.65 110.167 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 34.5 t -90.31 156.58 18.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.502 -0.772 . . . . 2.42 110.255 -178.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 29.3 m -75.59 -17.55 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.486 -0.779 . . . . 1.41 111.126 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.653 ' HB2' ' SG ' ' B' ' 110' ' ' CYS . 42.0 t -133.57 152.13 51.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.928 -0.578 . . . . 1.75 109.92 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -94.73 115.7 27.84 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.735 -0.469 . . . . 2.87 109.735 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' SER . . . . . 0.484 ' OG ' ' HB3' ' B' ' 108' ' ' CYS . 17.6 m -122.31 161.3 23.62 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.091 -0.504 . . . . 1.72 111.164 -173.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.425 ' HB ' ' HD2' ' B' ' 59' ' ' ARG . 3.4 p -126.62 116.09 43.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.308 -0.405 . . . . 1.51 110.693 175.282 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.433 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 51.1 m -94.73 121.18 36.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.115 0.483 . . . . 1.66 110.328 177.442 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 48.2 t -119.28 138.01 51.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.994 -0.548 . . . . 1.03 110.408 -177.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -95.22 95.93 8.85 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.892 -0.781 . . . . 1.61 108.892 173.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.433 HG21 ' OE2' ' B' ' 55' ' ' GLU . 90.2 t -88.81 122.64 40.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.168 -0.924 . . . . 0.96 111.354 -173.064 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.83 24.55 7.89 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 110.926 -0.87 . . . . 1.27 110.926 173.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -129.86 14.8 5.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.783 -0.208 . . . . 3.01 111.551 -178.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -69.53 127.42 32.94 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.761 -0.459 . . . . 1.32 109.761 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 10.8 t -103.17 -30.69 10.54 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.803 0.297 . . . . 1.82 111.803 -175.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.4 p -139.12 142.57 38.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.039 0.447 . . . . 1.0 111.568 -178.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -145.29 167.69 22.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.743 -0.662 . . . . 0.79 110.058 177.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 18.7 m -108.84 118.7 37.46 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.818 0.342 . . . . 1.01 110.749 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -66.74 165.51 14.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.593 -0.73 . . . . 1.84 110.72 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.471 ' HA ' ' CE1' ' B' ' 86' ' ' PHE . 14.3 tt -59.07 -29.68 41.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.875 0.369 . . . . 1.33 111.408 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -77.15 -11.52 59.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.096 0.474 . . . . 2.22 110.823 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.13 18.37 29.29 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.886 -0.673 . . . . 1.25 112.233 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -95.57 138.69 32.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.682 0.277 . . . . 2.14 110.674 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -82.2 115.61 21.37 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.612 -0.514 . . . . 2.19 109.612 175.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 35.0 m -116.01 152.5 17.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 121.041 0.448 . . . . 1.01 110.804 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' THR . . . . . 0.558 ' HB ' HG23 ' B' ' 92' ' ' THR . 31.1 m -88.71 121.78 31.44 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.62 -0.718 . . . . 1.04 109.306 176.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.553 ' HA ' HG22 ' B' ' 91' ' ' THR . 99.0 t -81.31 130.15 36.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 115.79 -0.641 . . . . 1.1 110.984 -175.377 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 77.3 mt -99.88 94.49 6.34 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.45 -0.574 . . . . 1.91 109.45 178.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.525 ' O ' ' HA ' ' B' ' 50' ' ' ARG . . . -60.7 -35.3 75.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.323 0.583 . . . . 2.18 109.637 178.165 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.474 ' HG2' ' HG2' ' B' ' 50' ' ' ARG . 24.0 mt-10 -106.46 115.45 30.23 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.0 -1.0 . . . . 3.59 108.792 175.382 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.523 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 22.6 m -99.79 140.4 19.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.834 0.349 . . . . 2.39 110.972 -175.214 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -112.46 99.29 7.87 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.092 -0.504 . . . . 3.25 109.971 178.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 55.3 mt -105.25 87.21 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.671 -0.492 . . . . 2.77 109.671 178.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 66.82 -78.01 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.654 -0.703 . . . . 3.84 110.956 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -133.36 1.26 3.44 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.429 -0.351 . . . . 4.76 110.641 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 16.0 m -107.44 115.35 30.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.953 0.406 . . . . 3.33 110.331 -177.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.523 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 38.4 t -116.23 125.35 73.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.889 -0.596 . . . . 2.38 110.137 -179.436 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -145.62 165.19 29.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.709 0.29 . . . . 4.13 110.238 176.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.525 ' HA ' ' O ' ' B' ' 40' ' ' ALA . 95.4 mtt180 -105.84 136.73 44.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.103 -0.499 . . . . 4.84 111.237 -177.195 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -110.7 145.25 38.34 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.804 -0.634 . . . . 4.56 109.799 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -119.19 154.26 33.63 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.356 -0.239 . . . . 2.45 110.356 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -121.27 127.59 51.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.281 -0.418 . . . . 1.16 110.804 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -84.89 103.23 13.76 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.216 0.531 . . . . 3.56 110.348 178.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' GLU . . . . . 0.433 ' OE2' HG21 ' B' ' 22' ' ' VAL . 26.8 mt-10 -108.02 113.35 26.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.179 -0.464 . . . . 1.49 110.301 179.137 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' B' ' 19' ' ' SER . 37.9 m -97.07 103.49 15.43 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.554 -0.536 . . . . 1.07 109.554 176.74 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -103.21 154.13 19.65 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.849 -0.614 . . . . 2.48 110.791 -174.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' CYS . . . . . 0.485 ' SG ' HG23 ' B' ' 82' ' ' THR . 79.8 m -80.7 110.81 16.56 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.684 -0.689 . . . . 1.73 110.828 -179.18 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 59' ' ' ARG . . . . . 0.425 ' HD2' ' HB ' ' B' ' 18' ' ' VAL . 17.2 ptm180 -99.77 17.2 21.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.535 0.684 . . . . 3.49 109.168 174.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -167.14 173.36 9.17 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.722 -1.126 . . . . 2.58 108.766 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' SER . . . . . 0.612 ' HA ' ' SG ' ' B' ' 80' ' ' CYS . 29.1 t -149.08 -31.44 0.24 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.011 0.434 . . . . 2.76 110.468 178.071 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -140.66 76.71 23.65 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 108.857 -0.794 . . . . 2.59 108.857 177.12 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -51.48 -42.21 56.48 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.48 2.786 . . . . 2.57 113.685 -171.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 5.1 m -83.88 -56.29 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 C-N-CA 120.707 -0.397 . . . . 2.53 111.842 -176.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' GLU . . . . . 0.552 ' HG3' ' H ' ' B' ' 66' ' ' SER . 7.3 pt-20 -168.4 -67.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.72 0.267 . . . . 4.2 111.72 -177.228 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 66' ' ' SER . . . . . 0.552 ' H ' ' HG3' ' B' ' 65' ' ' GLU . 16.7 m -123.96 -9.61 7.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.749 0.309 . . . . 3.9 111.431 -177.079 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -137.05 -170.34 11.88 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.697 -0.763 . . . . 2.6 111.865 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 85.2 m -101.72 71.59 1.32 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.948 0.404 . . . . 1.74 111.385 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 70.79 -72.89 0.1 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.246 -0.888 . . . . 3.95 112.303 171.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.13 -17.35 32.34 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.519 -0.848 . . . . 1.6 112.797 -176.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' ILE . . . . . 0.53 HG21 ' OG ' ' B' ' 78' ' ' SER . 44.3 mm -65.52 124.98 21.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.788 0.294 . . . . 1.65 111.263 -176.734 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -68.62 106.26 2.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.866 -0.606 . . . . 3.32 109.913 174.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 18.3 p -70.25 -12.51 61.64 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.843 -0.617 . . . . 4.63 112.085 -174.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -81.05 -32.39 34.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.953 0.406 . . . . 3.06 110.538 -178.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -99.18 -30.51 12.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.332 -0.395 . . . . 3.51 110.836 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' TRP . . . . . 0.409 ' CE3' ' HB3' ' B' ' 112' ' ' LEU . 79.5 m95 -127.03 139.95 52.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.271 0.558 . . . . 3.17 111.941 -176.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 77' ' ' ASN . . . . . 0.502 ' HB3' ' HB3' ' B' ' 113' ' ' SER . 4.2 t-20 -93.74 134.6 35.9 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 107.968 -1.123 . . . . 2.7 107.968 169.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.53 ' OG ' HG21 ' B' ' 71' ' ' ILE . 16.1 m -127.23 138.87 53.2 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.147 0.499 . . . . 1.93 111.439 -176.193 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -153.35 141.95 20.86 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.364 -0.835 . . . . 3.73 109.61 172.092 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.806 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 79.3 m -81.81 123.11 28.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.673 -0.694 . . . . 1.67 110.613 -176.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 31.4 m -129.01 137.99 51.67 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.716 -0.674 . . . . 2.25 109.591 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.485 HG23 ' SG ' ' B' ' 58' ' ' CYS . 12.4 p -84.29 122.13 28.47 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.204 0.525 . . . . 2.78 111.425 -179.237 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 22.4 m -76.46 134.54 39.51 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 108.892 -0.781 . . . . 2.69 108.892 174.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' HIS . . . . . 0.461 ' HA ' ' O ' ' B' ' 104' ' ' ILE . 72.7 m80 -106.35 121.95 45.26 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.684 0.278 . . . . 3.71 110.712 -176.157 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.716 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 3.5 t -109.24 162.17 14.55 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.543 -0.54 . . . . 1.48 109.543 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.479 ' HB3' ' HB3' ' B' ' 101' ' ' PHE . 78.2 m-85 -103.93 117.49 34.45 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.865 -0.42 . . . . 1.75 109.865 -178.425 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 20.2 m -109.3 138.46 36.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.237 0.541 . . . . 1.08 111.473 -176.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 17.2 pttp -69.22 103.22 1.88 Allowed 'General case' 0 C--O 1.238 0.479 0 CA-C-N 114.946 -1.025 . . . . 3.82 110.937 178.176 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.56 138.91 50.4 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.376 -0.829 . . . . 1.13 111.128 -178.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 24.4 tp -73.81 107.64 6.17 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.045 -0.724 . . . . 1.45 109.045 173.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 91' ' ' THR . . . . . 0.553 HG22 ' HA ' ' B' ' 38' ' ' VAL . 76.8 p -131.33 162.94 28.95 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.154 -0.476 . . . . 1.15 109.834 -177.171 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 92' ' ' THR . . . . . 0.558 HG23 ' HB ' ' B' ' 37' ' ' THR . 4.9 t -117.52 120.59 38.56 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.267 0.556 . . . . 1.32 110.441 179.194 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -77.48 -10.44 59.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.79 -0.641 . . . . 2.46 110.595 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -162.06 -78.68 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.959 -0.564 . . . . 3.09 109.928 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -142.89 27.19 1.66 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.241 0.543 . . . . 3.3 110.235 178.094 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -133.38 116.9 16.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.757 -0.656 . . . . 2.74 109.702 -178.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.29 113.89 15.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.999 0.428 . . . . 1.44 110.751 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -131.21 146.23 52.24 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.99 -0.55 . . . . 1.39 110.506 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -76.06 102.53 5.72 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.188 0.518 . . . . 2.35 109.792 178.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 100' ' ' ARG . . . . . 0.432 ' O ' ' HA ' ' B' ' 88' ' ' LYS . 39.2 mmt180 -106.15 177.39 4.87 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.597 -0.728 . . . . 3.48 109.902 -177.451 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.479 ' HB3' ' HB3' ' B' ' 86' ' ' PHE . 74.6 m-85 -119.45 107.72 13.67 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.637 -0.875 . . . . 1.98 108.637 174.457 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 35.7 pt -111.7 143.24 21.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.048 0.452 . . . . 0.86 111.244 -171.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 103' ' ' ARG . . . . . 0.716 ' HA ' ' O ' ' B' ' 85' ' ' THR . 20.5 ptp180 -82.69 125.33 31.11 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.574 -0.739 . . . . 3.72 111.233 -174.149 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 104' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' B' ' 84' ' ' HIS . 45.9 pt -127.3 154.94 38.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 CA-C-N 115.596 -0.729 . . . . 0.83 110.565 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -67.22 105.07 1.61 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.6 -0.727 . . . . 1.69 109.242 175.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 1.1 m -90.91 -48.33 7.07 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.213 -0.449 . . . . 2.29 111.515 -171.104 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 107' ' ' ALA . . . . . 0.428 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -148.25 147.44 29.36 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.066 -0.515 . . . . 1.15 110.48 -178.098 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 108' ' ' CYS . . . . . 0.806 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 40.4 t -101.98 109.56 21.32 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.166 -0.679 . . . . 1.56 109.166 177.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 33.2 m -113.7 143.58 23.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.209 -0.45 . . . . 1.08 111.566 -172.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.653 ' SG ' ' HB2' ' B' ' 15' ' ' CYS . 88.5 m -79.98 104.44 10.55 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.95 -0.568 . . . . 1.45 109.527 172.571 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 32.5 m -89.32 147.19 5.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.622 -0.51 . . . . 1.52 109.622 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.409 ' HB3' ' CE3' ' B' ' 76' ' ' TRP . 87.7 mt -101.85 138.96 38.13 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.398 0.618 . . . . 1.67 111.043 -175.225 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.502 ' HB3' ' HB3' ' B' ' 77' ' ' ASN . 13.8 t -128.3 153.6 46.82 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.268 -0.878 . . . . 2.62 109.638 177.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.169 -0.469 . . . . 6.72 111.882 -175.296 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.479 ' HB2' ' HB ' ' B' ' 111' ' ' VAL . 63.6 m-85 . . . . . 0 CA--C 1.52 -0.2 0 N-CA-C 109.352 -0.61 . . . . 3.65 109.352 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.4 m -139.49 129.86 25.5 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.773 0.32 . . . . 2.42 111.174 -176.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.3 m -74.71 -18.23 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-O 121.143 0.497 . . . . 1.41 110.618 174.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 68.5 m -127.21 133.09 50.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.342 -0.845 . . . . 1.75 109.585 177.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -67.13 115.63 7.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.763 0.316 . . . . 2.87 110.18 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.5 p -125.49 154.33 42.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.147 0.498 . . . . 1.72 111.778 -174.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.512 ' HB ' ' NE ' ' A' ' 59' ' ' ARG . 3.7 p -122.25 115.69 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.485 -0.78 . . . . 1.51 110.212 179.28 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 11.2 t -103.04 117.14 33.92 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.668 -0.493 . . . . 1.66 109.668 179.465 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.2 t -119.46 138.41 50.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.423 -0.353 . . . . 1.03 110.925 -176.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 85.3 m95 -101.77 95.5 6.45 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.36 -0.978 . . . . 1.61 108.36 171.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.433 HG12 ' H ' ' A' ' 24' ' ' ASP . 43.6 t -80.4 111.32 16.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.363 -0.835 . . . . 0.96 110.811 -173.644 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.99 11.7 71.52 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.629 -0.796 . . . . 1.27 112.241 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.433 ' H ' HG12 ' A' ' 22' ' ' VAL . 37.8 t70 -156.88 59.68 0.53 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.192 0.52 . . . . 3.02 110.883 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -80.69 130.33 35.03 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.891 -0.781 . . . . 1.32 108.891 175.007 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 t -101.45 -30.78 11.24 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.563 0.579 . . . . 1.82 112.563 -170.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.79 145.79 30.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.827 0.346 . . . . 1.01 111.588 -179.366 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.81 167.81 27.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.909 -0.587 . . . . 0.79 110.481 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 34' ' ' LYS . 25.5 m -100.05 119.74 38.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.812 -0.631 . . . . 1.02 110.527 178.58 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.447 ' CG ' HH21 ' A' ' 100' ' ' ARG . 17.8 t70 -69.18 158.64 34.52 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.348 -0.842 . . . . 1.85 110.023 177.452 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.9 tt -61.17 -21.32 24.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-N 116.053 -0.521 . . . . 1.33 111.828 -176.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.47 ' HD2' ' NH2' ' A' ' 100' ' ' ARG . 96.9 mttt -84.79 -5.3 59.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.893 0.377 . . . . 2.22 110.655 178.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.44 27.4 13.24 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.84 -0.695 . . . . 1.25 112.24 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 29' ' ' THR . 75.2 mmtt -102.12 155.35 18.25 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.739 0.304 . . . . 2.14 110.549 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -102.44 115.62 30.93 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.925 -0.769 . . . . 2.19 108.925 174.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.2 m -124.98 151.34 30.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.132 0.492 . . . . 1.02 111.65 -174.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.415 ' HB ' ' CG2' ' A' ' 92' ' ' THR . 46.4 m -81.61 119.79 24.25 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.239 -0.891 . . . . 1.04 109.704 177.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.499 ' HA ' HG22 ' A' ' 91' ' ' THR . 54.3 t -86.24 136.19 23.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 116.223 -0.444 . . . . 1.1 110.772 -175.133 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.1 mt -109.12 107.82 18.26 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.135 -0.691 . . . . 1.91 109.135 175.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.6 -25.83 65.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.493 0.663 . . . . 2.18 110.123 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.477 ' HG2' ' HB3' ' A' ' 50' ' ' ARG . 30.5 mt-10 -106.81 114.69 28.94 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 114.993 -1.003 . . . . 3.59 108.424 174.004 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 49' ' ' PHE . 19.5 m -90.68 123.3 42.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.225 0.536 . . . . 2.4 110.395 -176.485 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -93.55 107.09 18.99 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.576 0.703 . . . . 3.25 109.793 178.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 59.5 mt -103.42 76.59 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.283 -0.636 . . . . 2.77 109.283 177.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 65.28 -81.86 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.044 -0.98 . . . . 3.84 111.293 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -125.27 29.54 6.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.821 0.344 . . . . 4.76 110.836 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.7 m -147.04 115.34 6.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.801 0.334 . . . . 3.33 110.434 178.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.1 t -102.03 121.39 52.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.239 -0.437 . . . . 2.37 110.765 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.42 ' O ' HG22 ' A' ' 42' ' ' VAL . 78.2 m-85 -120.28 126.88 51.68 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.009 -0.542 . . . . 4.13 110.001 178.736 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.477 ' HB3' ' HG2' ' A' ' 41' ' ' GLU . 8.4 ptp180 -104.13 141.51 36.1 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.885 0.374 . . . . 4.84 110.821 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -133.66 174.35 10.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.98 -0.554 . . . . 4.56 109.817 177.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -121.04 136.23 55.03 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.132 -0.692 . . . . 2.46 109.132 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -94.82 121.58 36.56 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.781 0.324 . . . . 1.16 110.6 -177.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -83.93 107.07 16.08 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.473 0.654 . . . . 3.56 110.934 -177.216 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -115.26 112.24 22.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.724 -0.671 . . . . 1.49 109.683 177.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 19' ' ' SER . 24.6 m -105.66 104.61 14.37 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.228 0.537 . . . . 1.07 110.079 178.432 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -102.52 169.84 8.41 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.66 -0.7 . . . . 2.48 109.565 -176.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.416 ' HB2' HG23 ' A' ' 82' ' ' THR . 1.7 t -108.52 112.35 24.68 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.982 0.42 . . . . 1.73 110.264 -178.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.512 ' NE ' ' HB ' ' A' ' 18' ' ' VAL . 88.5 mtt180 -68.35 -38.55 81.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.687 -0.688 . . . . 3.48 110.396 -179.636 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -121.54 105.5 10.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.924 -0.58 . . . . 2.58 110.521 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.447 ' HA ' ' HB2' ' A' ' 80' ' ' CYS . 6.1 p -71.8 -28.39 63.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.969 -0.56 . . . . 2.76 110.23 178.128 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -139.0 74.39 37.12 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.434 -0.803 . . . . 2.59 109.754 176.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -55.9 -36.13 95.14 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.486 2.124 . . . . 2.57 112.489 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.4 m -119.09 162.02 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.538 -0.542 . . . . 2.53 109.538 176.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -76.6 51.43 0.74 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.309 0.576 . . . . 4.19 111.147 -177.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.9 m -161.11 -26.56 0.06 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.19 -0.914 . . . . 3.9 109.165 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.471 ' HA3' ' HB3' ' A' ' 78' ' ' SER . . . 138.42 -115.23 1.14 Allowed Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 110.875 -0.89 . . . . 2.6 110.875 -177.275 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.43 ' SG ' HG12 ' A' ' 71' ' ' ILE . 13.9 p -90.56 149.29 22.21 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.294 -0.632 . . . . 1.73 109.294 176.037 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -66.86 118.37 10.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.409 -0.36 . . . . 3.94 111.647 -173.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.33 -28.19 4.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.639 -0.791 . . . . 1.61 112.613 176.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.43 HG12 ' SG ' ' A' ' 68' ' ' CYS . 48.5 mm -70.53 143.02 15.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.852 0.358 . . . . 1.65 111.623 -176.796 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -74.59 122.29 22.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.073 -0.512 . . . . 3.32 110.344 176.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.1 m -70.25 -19.72 63.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.728 -0.669 . . . . 4.63 112.547 -173.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -89.25 -43.32 11.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.629 0.252 . . . . 3.06 111.398 -174.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -89.15 -26.95 21.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.534 -0.303 . . . . 3.51 111.782 -176.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -133.19 154.93 50.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.485 0.66 . . . . 3.17 111.528 -175.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -122.1 134.32 54.76 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 107.843 -1.169 . . . . 2.69 107.843 168.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.471 ' HB3' ' HA3' ' A' ' 67' ' ' GLY . 16.1 t -121.04 158.63 27.39 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.139 0.495 . . . . 1.93 111.656 -170.736 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.549 ' O ' HG22 ' A' ' 111' ' ' VAL . 74.9 t80 -155.35 136.62 13.97 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.981 -0.748 . . . . 3.73 108.981 177.334 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.828 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 61.4 m -91.18 111.39 22.85 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.972 0.415 . . . . 1.67 110.073 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.512 ' HG1' ' HD1' ' A' ' 79' ' ' TYR . 24.6 m -114.08 134.83 54.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.934 -0.576 . . . . 2.24 111.037 -173.251 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.416 HG23 ' HB2' ' A' ' 58' ' ' CYS . 0.7 OUTLIER -81.62 122.05 27.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.014 0.435 . . . . 2.78 111.638 176.629 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.3 p -78.59 157.27 28.78 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.945 -0.571 . . . . 2.69 109.711 173.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -131.16 134.3 46.39 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.943 0.402 . . . . 3.71 110.767 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.679 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 13.7 t -121.78 168.23 12.07 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.686 -0.487 . . . . 1.48 109.686 -179.067 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.462 ' CE1' ' HB3' ' A' ' 103' ' ' ARG . 95.7 m-85 -115.16 117.63 31.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.891 0.377 . . . . 1.75 110.633 -175.357 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.2 m -111.88 145.34 18.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.003 -0.544 . . . . 1.08 110.902 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 88' ' ' LYS . 11.4 pttm -79.12 111.82 15.71 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.489 0.661 . . . . 3.82 110.677 177.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.96 149.53 50.77 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.537 -0.756 . . . . 1.13 110.197 177.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.9 tp -76.49 108.38 9.43 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.391 -0.966 . . . . 1.45 108.391 174.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.499 HG22 ' HA ' ' A' ' 38' ' ' VAL . 61.5 p -125.55 159.29 32.44 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.506 -0.316 . . . . 1.14 110.211 -175.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.415 ' CG2' ' HB ' ' A' ' 37' ' ' THR . 9.8 t -125.87 126.31 44.24 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.181 0.515 . . . . 1.32 110.305 177.3 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -79.6 -17.85 52.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.865 -0.607 . . . . 2.47 110.757 179.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -164.91 -57.94 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.518 -0.31 . . . . 3.09 111.587 173.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -127.99 -51.9 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 122.155 -0.34 . . . . 3.29 111.747 -176.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -77.67 134.9 38.05 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.458 -0.337 . . . . 2.74 110.908 -177.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -92.32 129.88 38.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.499 -0.319 . . . . 1.44 110.177 176.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.08 153.25 42.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.818 0.342 . . . . 1.38 110.994 -177.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -75.32 110.12 9.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.171 -0.468 . . . . 2.35 110.289 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.47 ' NH2' ' HD2' ' A' ' 32' ' ' LYS . 11.7 mmm180 -123.74 156.57 35.76 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.055 -0.52 . . . . 3.48 110.257 -177.68 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.417 ' HB3' ' HB3' ' A' ' 86' ' ' PHE . 92.9 m-85 -94.53 114.29 26.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.011 -0.54 . . . . 1.98 109.717 176.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 36.7 pt -113.6 147.2 17.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.79 0.329 . . . . 0.86 110.769 -176.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.679 ' HA ' ' O ' ' A' ' 85' ' ' THR . 39.8 ptt180 -87.77 129.95 35.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.334 0.587 . . . . 3.71 111.264 -176.737 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 30.0 pt -129.68 154.71 40.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.339 -0.846 . . . . 0.83 109.991 176.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -65.88 123.7 20.5 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 121.102 0.477 . . . . 1.69 110.049 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.429 HG22 HG22 ' B' ' 106' ' ' THR . 2.0 m -94.16 -56.48 2.83 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.624 -0.717 . . . . 2.29 111.154 -172.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -163.38 157.94 20.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.234 -0.439 . . . . 1.14 110.485 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.828 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 50.8 t -96.3 119.31 34.55 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.763 -0.458 . . . . 1.56 109.763 177.161 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' A' ' 80' ' ' CYS . 19.2 m -108.08 152.07 10.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.024 -0.535 . . . . 1.07 110.889 -175.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 36.6 t -95.04 110.4 22.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.068 -0.515 . . . . 1.45 109.643 176.037 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 79' ' ' TYR . 15.8 m -93.94 153.49 3.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.553 -0.294 . . . . 1.52 110.218 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.7 mt -127.61 139.21 52.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.314 0.578 . . . . 1.67 111.614 -178.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.1 p -127.03 142.78 51.46 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.12 -0.946 . . . . 2.62 108.467 172.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 7.9 ppt_? . . . . . 0 C--N 1.327 -0.388 0 N-CA-C 111.946 0.351 . . . . 6.73 111.946 -172.916 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 12' ' ' PHE . . . . . 0.467 ' HB2' ' HB ' ' A' ' 111' ' ' VAL . 63.4 m-85 . . . . . 0 CA--C 1.52 -0.18 0 N-CA-C 109.393 -0.595 . . . . 3.65 109.393 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 44.1 m -139.89 129.7 24.63 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.762 0.315 . . . . 2.42 111.048 -176.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.1 m -74.64 -18.23 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 121.152 0.501 . . . . 1.41 110.545 174.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 68.7 m -127.24 132.98 50.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.406 -0.816 . . . . 1.75 109.626 177.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -66.98 115.69 6.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.858 0.361 . . . . 2.87 110.182 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.6 p -125.43 154.5 41.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.123 0.487 . . . . 1.72 111.742 -174.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.504 ' HB ' ' NE ' ' B' ' 59' ' ' ARG . 3.7 p -122.41 115.86 47.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.518 -0.765 . . . . 1.51 110.174 179.155 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 11.7 t -103.33 116.69 32.92 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.715 -0.476 . . . . 1.66 109.715 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 58.3 t -119.24 138.33 50.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.293 -0.412 . . . . 1.03 110.912 -176.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -101.79 95.18 6.24 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.569 -0.9 . . . . 1.61 108.569 171.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.416 HG12 ' H ' ' B' ' 24' ' ' ASP . 44.1 t -80.13 111.14 16.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.271 -0.877 . . . . 0.96 110.678 -173.307 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.31 10.64 73.87 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.693 -0.765 . . . . 1.27 112.346 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.416 ' H ' HG12 ' B' ' 22' ' ' VAL . 37.3 t70 -156.19 59.79 0.58 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.191 0.519 . . . . 3.01 110.727 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -81.02 129.99 34.8 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.888 -0.782 . . . . 1.32 108.888 175.038 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -100.97 -30.67 11.51 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.674 0.62 . . . . 1.82 112.674 -170.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -146.12 145.8 30.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.836 0.35 . . . . 1.0 111.503 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.76 167.52 27.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.896 -0.593 . . . . 0.79 110.611 177.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' B' ' 34' ' ' LYS . 27.3 m -99.68 119.72 38.56 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.974 -0.557 . . . . 1.01 110.606 178.509 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ASP . . . . . 0.44 ' CG ' HH21 ' B' ' 100' ' ' ARG . 17.7 t70 -69.06 158.81 34.07 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.375 -0.829 . . . . 1.84 110.038 177.459 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.8 tt -61.44 -20.89 23.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 116.089 -0.505 . . . . 1.33 111.946 -176.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.469 ' HD2' ' NH2' ' B' ' 100' ' ' ARG . 97.0 mttt -85.09 -5.28 59.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.922 0.391 . . . . 2.22 110.795 178.616 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.38 27.66 12.89 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.95 -0.643 . . . . 1.25 112.198 178.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' B' ' 29' ' ' THR . 75.3 mmtt -102.57 154.76 18.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.666 0.269 . . . . 2.14 110.568 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -101.62 116.31 32.46 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.845 -0.798 . . . . 2.19 108.845 174.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 24.8 m -125.39 151.48 31.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.198 0.523 . . . . 1.01 111.512 -174.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' THR . . . . . 0.433 ' HB ' ' CG2' ' B' ' 92' ' ' THR . 41.7 m -81.87 119.79 24.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.221 -0.899 . . . . 1.04 109.636 176.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.506 ' HA ' HG22 ' B' ' 91' ' ' THR . 54.5 t -86.22 136.55 22.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 116.224 -0.444 . . . . 1.1 110.689 -175.21 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 56.9 mt -109.39 108.09 18.5 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.225 -0.657 . . . . 1.91 109.225 175.318 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.95 -25.94 65.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.36 0.6 . . . . 2.18 110.056 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.459 ' HG2' ' HB3' ' B' ' 50' ' ' ARG . 30.4 mt-10 -106.74 114.59 28.78 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 114.909 -1.041 . . . . 3.59 108.685 173.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.415 HG22 ' O ' ' B' ' 49' ' ' PHE . 19.4 m -90.63 123.29 42.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.334 0.588 . . . . 2.39 110.304 -176.305 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -93.59 107.41 19.27 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.481 0.658 . . . . 3.25 109.81 178.008 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 59.7 mt -103.62 76.59 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.437 -0.579 . . . . 2.77 109.437 177.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 65.4 -82.23 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 114.941 -1.027 . . . . 3.84 111.084 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -124.82 29.57 6.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.707 0.289 . . . . 4.76 110.993 -178.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 22.0 m -147.06 115.38 6.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.796 0.332 . . . . 3.33 110.36 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 61.3 t -101.99 121.71 53.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.979 0.419 . . . . 2.38 110.75 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' PHE . . . . . 0.415 ' O ' HG22 ' B' ' 42' ' ' VAL . 78.4 m-85 -120.45 126.72 51.14 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.985 -0.552 . . . . 4.13 110.048 178.61 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.459 ' HB3' ' HG2' ' B' ' 41' ' ' GLU . 8.5 ptp180 -104.13 141.0 37.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.912 0.387 . . . . 4.84 110.918 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 -133.09 174.36 10.45 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.975 -0.557 . . . . 4.56 109.784 177.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -120.98 136.26 55.02 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.22 -0.659 . . . . 2.45 109.22 178.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -94.9 121.59 36.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.724 0.297 . . . . 1.16 110.573 -177.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' PHE . . . . . 0.401 ' O ' HD12 ' B' ' 104' ' ' ILE . 13.6 p90 -83.97 107.1 16.14 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.392 0.615 . . . . 3.56 110.985 -177.184 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -115.35 112.33 22.2 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.775 -0.648 . . . . 1.49 109.621 177.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.424 ' HA ' ' HA ' ' B' ' 19' ' ' SER . 24.5 m -105.59 104.59 14.34 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.262 0.554 . . . . 1.07 110.097 178.412 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -102.54 169.99 8.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.657 -0.702 . . . . 2.48 109.657 -176.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' CYS . . . . . 0.417 ' HB2' HG23 ' B' ' 82' ' ' THR . 1.8 t -108.86 111.97 23.98 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.061 0.458 . . . . 1.73 110.249 -178.655 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 59' ' ' ARG . . . . . 0.504 ' NE ' ' HB ' ' B' ' 18' ' ' VAL . 88.7 mtt180 -68.05 -38.76 82.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.591 -0.732 . . . . 3.49 110.408 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -121.42 105.37 10.44 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.047 -0.524 . . . . 2.58 110.524 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' SER . . . . . 0.44 ' HA ' ' HB2' ' B' ' 80' ' ' CYS . 5.4 p -71.67 -28.25 63.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.024 -0.534 . . . . 2.76 110.352 178.266 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -139.15 74.7 35.72 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.517 -0.765 . . . . 2.59 109.526 176.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -55.94 -36.41 95.71 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.623 2.216 . . . . 2.57 112.338 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 35.7 m -119.02 162.2 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.688 -0.486 . . . . 2.53 109.688 176.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -76.93 51.25 0.78 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.351 0.596 . . . . 4.2 110.99 -177.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 19.6 m -160.88 -26.43 0.06 Allowed 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.191 -0.913 . . . . 3.9 109.183 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.466 ' HA3' ' HB3' ' B' ' 78' ' ' SER . . . 138.17 -115.36 1.17 Allowed Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.892 -0.883 . . . . 2.6 110.892 -177.138 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.443 ' SG ' HG12 ' B' ' 71' ' ' ILE . 14.1 p -90.66 149.59 22.02 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.158 -0.682 . . . . 1.74 109.158 176.081 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -67.14 118.42 10.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.286 -0.415 . . . . 3.95 111.539 -173.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.17 -28.23 4.12 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 1.6 112.619 176.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' ILE . . . . . 0.443 HG12 ' SG ' ' B' ' 68' ' ' CYS . 48.3 mm -70.47 142.53 15.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.752 0.31 . . . . 1.65 111.673 -176.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -74.18 122.33 22.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.067 -0.515 . . . . 3.32 110.399 176.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 3.1 m -70.12 -20.16 63.19 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.71 -0.677 . . . . 4.63 112.37 -173.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -89.16 -43.11 11.27 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 121.141 -0.224 . . . . 3.06 111.378 -174.008 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -89.21 -27.15 20.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.55 -0.296 . . . . 3.51 111.615 -176.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -133.17 154.78 50.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.462 0.649 . . . . 3.17 111.47 -174.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -121.93 134.32 54.84 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.92 -1.141 . . . . 2.7 107.92 168.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.466 ' HB3' ' HA3' ' B' ' 67' ' ' GLY . 16.5 t -121.11 158.74 27.24 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.277 0.561 . . . . 1.93 111.623 -170.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 79' ' ' TYR . . . . . 0.54 ' O ' HG22 ' B' ' 111' ' ' VAL . 73.7 t80 -155.47 136.52 13.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.343 -0.844 . . . . 3.73 109.153 177.294 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.83 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 61.4 m -91.29 110.93 22.23 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.014 0.435 . . . . 1.67 110.11 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.438 ' HG1' ' HD1' ' B' ' 79' ' ' TYR . 24.2 m -113.56 135.16 54.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.873 -0.603 . . . . 2.25 111.065 -173.217 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.417 HG23 ' HB2' ' B' ' 58' ' ' CYS . 0.8 OUTLIER -81.63 122.06 27.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.022 0.439 . . . . 2.78 111.834 176.34 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 11.3 p -78.51 157.36 28.88 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.913 -0.585 . . . . 2.69 109.727 173.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -131.48 134.47 46.19 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.892 0.377 . . . . 3.71 110.737 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.675 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 13.5 t -121.94 168.2 12.17 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.999 -0.546 . . . . 1.48 109.746 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.464 ' CE1' ' HB3' ' B' ' 103' ' ' ARG . 95.7 m-85 -115.16 117.62 31.03 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.878 0.371 . . . . 1.75 110.732 -175.421 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 19.2 m -111.83 145.22 18.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.977 -0.556 . . . . 1.08 110.964 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 88' ' ' LYS . . . . . 0.415 ' O ' ' HG3' ' B' ' 88' ' ' LYS . 11.4 pttm -79.03 111.76 15.56 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.552 0.691 . . . . 3.82 110.706 177.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.03 149.53 50.81 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.523 -0.762 . . . . 1.13 110.053 177.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 18.8 tp -76.49 108.45 9.47 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.362 -0.977 . . . . 1.45 108.362 174.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 91' ' ' THR . . . . . 0.506 HG22 ' HA ' ' B' ' 38' ' ' VAL . 60.3 p -125.57 159.16 32.79 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 116.399 -0.364 . . . . 1.15 110.189 -175.686 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 92' ' ' THR . . . . . 0.433 ' CG2' ' HB ' ' B' ' 37' ' ' THR . 10.1 t -125.85 125.99 43.75 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-O 121.379 0.609 . . . . 1.32 110.341 177.271 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -79.3 -17.97 53.56 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.871 -0.604 . . . . 2.46 110.865 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -164.57 -58.54 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.592 -0.276 . . . . 3.09 111.499 173.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -127.59 -51.57 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 122.184 -0.322 . . . . 3.3 111.748 -176.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -77.81 135.18 37.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.62 -0.264 . . . . 2.74 110.763 -177.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -92.71 129.78 38.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.439 -0.346 . . . . 1.44 110.069 176.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.17 152.99 42.4 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.438 -0.346 . . . . 1.39 110.976 -176.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -75.07 109.85 8.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.196 -0.457 . . . . 2.35 110.422 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 100' ' ' ARG . . . . . 0.469 ' NH2' ' HD2' ' B' ' 32' ' ' LYS . 11.6 mmm180 -123.62 156.29 36.09 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.913 -0.585 . . . . 3.48 110.307 -177.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.438 ' HB3' ' HB3' ' B' ' 86' ' ' PHE . 93.0 m-85 -94.23 114.28 26.35 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.997 -0.547 . . . . 1.98 109.76 176.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 102' ' ' ILE . . . . . 0.438 ' O ' ' HA ' ' B' ' 86' ' ' PHE . 36.3 pt -113.57 147.32 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.745 0.307 . . . . 0.86 110.826 -176.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 103' ' ' ARG . . . . . 0.675 ' HA ' ' O ' ' B' ' 85' ' ' THR . 39.8 ptt180 -87.99 129.46 35.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.426 0.632 . . . . 3.72 111.449 -176.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 104' ' ' ILE . . . . . 0.401 HD12 ' O ' ' B' ' 54' ' ' PHE . 30.5 pt -129.13 154.71 40.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.271 -0.877 . . . . 0.83 110.035 176.534 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -66.01 123.69 20.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.18 0.514 . . . . 1.69 110.083 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 106' ' ' THR . . . . . 0.429 HG22 HG22 ' A' ' 106' ' ' THR . 2.1 m -94.26 -56.4 2.85 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.695 -0.684 . . . . 2.29 111.138 -172.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -163.27 158.15 21.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.32 -0.4 . . . . 1.15 110.507 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 108' ' ' CYS . . . . . 0.83 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 51.0 t -96.46 119.26 34.62 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.804 -0.443 . . . . 1.56 109.804 177.037 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' B' ' 80' ' ' CYS . 19.0 m -108.08 151.96 10.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.988 -0.551 . . . . 1.08 110.9 -175.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 36.3 t -94.98 110.31 22.23 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.96 -0.563 . . . . 1.45 109.613 176.1 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.54 HG22 ' O ' ' B' ' 79' ' ' TYR . 15.6 m -93.96 153.44 3.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 110.187 -0.301 . . . . 1.52 110.187 179.725 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 61.3 mt -127.59 139.21 52.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.272 0.558 . . . . 1.67 111.666 -178.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 13.2 p -127.1 142.96 51.39 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.183 -0.917 . . . . 2.62 108.543 171.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 7.8 ppt_? . . . . . 0 C--N 1.328 -0.349 0 N-CA-C 112.133 0.42 . . . . 6.72 112.133 -173.113 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 . . . . . 0 CA--C 1.52 -0.209 0 CA-C-O 120.969 0.414 . . . . 3.65 111.269 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.2 t -150.58 144.1 25.07 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.753 -0.832 . . . . 2.42 108.753 173.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.676 HG23 ' SG ' ' A' ' 110' ' ' CYS . 15.9 m -88.72 5.83 4.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.112 0.482 . . . . 1.41 111.093 -178.125 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.538 ' HB2' ' SG ' ' A' ' 110' ' ' CYS . 34.3 t -143.94 152.2 40.78 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.57 -0.741 . . . . 1.75 109.46 176.643 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.61 114.48 3.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.992 0.425 . . . . 2.87 110.733 -178.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.0 m -126.44 152.03 46.95 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.004 -0.544 . . . . 1.72 110.39 -176.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.503 ' HB ' ' NE ' ' A' ' 59' ' ' ARG . 7.4 p -129.19 120.3 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.427 -0.351 . . . . 1.51 110.43 174.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.414 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 50.0 m -97.82 111.72 23.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.959 0.409 . . . . 1.66 110.286 179.173 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.3 t -119.45 138.1 51.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.133 -0.485 . . . . 1.03 110.849 -177.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -95.88 95.23 8.11 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.592 -0.892 . . . . 1.61 108.592 171.151 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.9 t -80.29 120.41 31.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.639 -0.709 . . . . 0.96 110.301 -175.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.504 ' HA2' ' O ' ' A' ' 51' ' ' GLN . . . -115.08 17.74 16.88 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.815 -0.707 . . . . 1.27 111.925 179.06 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -140.31 36.6 1.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 3.02 111.091 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.4 tttp -73.95 129.64 38.28 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.227 -0.657 . . . . 1.32 109.227 178.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.6 p -101.03 -38.19 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.547 0.573 . . . . 1.82 112.547 -172.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.97 139.31 30.6 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.776 0.322 . . . . 1.01 111.136 -178.475 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.22 163.84 35.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.011 -0.54 . . . . 0.79 110.866 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.3 m -96.49 122.64 39.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.063 -0.517 . . . . 1.02 110.621 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -72.45 165.51 24.45 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.879 -0.6 . . . . 1.85 110.022 176.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.1 tt -59.77 -26.93 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.81 0.338 . . . . 1.33 111.119 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -80.48 -3.59 50.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.426 -0.352 . . . . 2.22 111.025 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.72 10.49 60.18 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.99 -0.624 . . . . 1.25 112.385 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -86.54 137.07 32.81 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.741 0.305 . . . . 2.14 111.283 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -85.04 114.16 21.99 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.742 -0.836 . . . . 2.19 108.742 172.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.0 m -120.6 152.94 23.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 116.199 -0.455 . . . . 1.02 111.156 -176.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.481 ' HB ' ' CG2' ' A' ' 92' ' ' THR . 18.7 m -87.53 114.9 24.57 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.399 -0.819 . . . . 1.04 110.228 -178.129 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.492 ' HA ' HG22 ' A' ' 91' ' ' THR . 53.8 t -81.1 137.23 21.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 116.015 -0.539 . . . . 1.1 110.209 -177.552 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.5 mt -99.2 113.1 25.18 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.362 -0.607 . . . . 1.91 109.362 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.544 ' O ' ' HA ' ' A' ' 50' ' ' ARG . . . -65.61 -36.36 83.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.307 0.575 . . . . 2.18 109.742 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -114.68 114.59 25.86 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.989 -1.005 . . . . 3.59 108.702 176.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.618 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 34.3 m -104.1 132.11 51.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.988 0.423 . . . . 2.4 111.394 -175.581 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -95.7 99.17 11.05 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.969 -0.559 . . . . 3.25 109.708 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.6 mt -115.45 100.13 9.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.284 -0.417 . . . . 2.77 110.076 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 57.71 50.32 10.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.419 0.628 . . . . 3.84 110.021 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 63.8 20.77 12.38 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.197 -0.91 . . . . 4.76 111.855 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.4 t -119.11 121.47 39.86 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.801 -0.814 . . . . 3.33 108.801 175.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.618 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 46.8 t -103.48 109.9 28.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.092 0.472 . . . . 2.37 111.313 -175.185 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.443 ' O ' HG22 ' A' ' 42' ' ' VAL . 63.9 m-85 -109.85 149.57 29.66 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.944 -0.571 . . . . 4.13 109.902 175.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.544 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 20.4 ttm180 -97.78 136.81 37.58 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.944 0.402 . . . . 4.84 110.148 177.252 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.504 ' O ' ' HA2' ' A' ' 23' ' ' GLY . 85.8 mm-40 -85.94 108.75 18.33 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.675 -0.693 . . . . 4.56 111.329 -176.511 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -93.65 123.49 37.01 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.557 -0.534 . . . . 2.46 109.557 175.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -114.07 124.48 52.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.72 0.295 . . . . 1.16 110.576 178.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.414 ' CE2' ' HB3' ' A' ' 19' ' ' SER . 84.4 t80 -84.57 97.05 9.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.101 -0.5 . . . . 3.56 110.245 -178.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.501 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 39.8 mt-10 -106.31 110.0 22.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.076 -0.511 . . . . 1.49 110.608 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 52.5 m -96.43 98.45 10.26 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.941 -0.763 . . . . 1.07 108.941 172.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.427 ' HA ' HG21 ' A' ' 82' ' ' THR . 23.4 mtpp -103.43 153.64 20.28 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.423 -0.808 . . . . 2.48 110.659 -169.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.644 ' SG ' HG23 ' A' ' 82' ' ' THR . 75.6 m -74.8 109.82 8.58 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.091 -0.504 . . . . 1.73 110.573 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.503 ' NE ' ' HB ' ' A' ' 18' ' ' VAL . 66.1 mtt180 -67.75 -50.6 56.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.179 -0.464 . . . . 3.48 110.372 176.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -148.02 96.5 2.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.701 -0.681 . . . . 2.58 110.394 -178.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.1 p -66.48 140.64 58.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.979 -0.555 . . . . 2.76 110.569 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.692 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 92.9 m-20 68.31 70.94 0.41 Allowed Pre-proline 0 N--CA 1.465 0.311 0 O-C-N 123.609 0.568 . . . . 2.59 110.905 -178.511 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -62.55 -27.44 76.63 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.388 2.059 . . . . 2.57 111.692 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.7 m -112.32 163.59 9.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.893 -0.594 . . . . 2.53 109.495 176.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -80.45 58.37 3.14 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.954 0.407 . . . . 4.19 111.357 -175.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.5 p -170.12 -66.56 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.67 -0.695 . . . . 3.9 109.98 179.03 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.692 ' O ' ' HA ' ' A' ' 62' ' ' ASN . . . -151.78 -84.43 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.859 -0.609 . . . . 2.6 112.138 179.236 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 74.1 m -140.44 173.4 11.54 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.676 0.274 . . . . 1.73 111.045 -178.198 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 69' ' ' ARG . 44.2 mtt180 -72.92 136.26 45.19 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.848 -0.427 . . . . 3.94 109.848 -178.118 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.49 -46.2 3.46 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.822 -0.704 . . . . 1.61 112.028 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.675 HG22 ' H ' ' A' ' 72' ' ' ASP . 9.8 mm -76.14 178.9 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.574 -0.528 . . . . 1.65 109.574 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.675 ' H ' HG22 ' A' ' 71' ' ' ILE . 15.1 m-20 69.26 70.11 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.341 0.591 . . . . 3.32 111.055 173.336 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.3 m -117.56 -66.85 1.04 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.66 -0.7 . . . . 4.63 110.471 178.248 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -126.61 -60.99 1.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.076 0.398 . . . . 3.06 112.076 -175.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -113.14 5.58 17.13 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.489 0.552 . . . . 3.51 112.489 -172.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.509 ' O ' ' HA ' ' A' ' 72' ' ' ASP . 74.6 m95 -123.21 137.66 54.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.162 0.506 . . . . 3.17 111.411 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.437 ' HA ' ' OD1' ' A' ' 72' ' ' ASP . 6.4 t30 -124.79 134.89 52.61 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.015 -0.993 . . . . 2.69 108.324 174.031 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.484 ' OG ' ' HB3' ' A' ' 110' ' ' CYS . 5.9 t -115.84 173.18 6.7 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.227 0.537 . . . . 1.93 111.975 -173.576 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -170.94 140.16 1.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.315 -0.857 . . . . 3.73 109.484 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.532 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 7.2 m -86.09 119.15 26.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.813 0.339 . . . . 1.67 110.759 -177.459 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.3 m -133.45 133.33 42.16 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.124 -0.489 . . . . 2.24 109.784 178.061 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.644 HG23 ' SG ' ' A' ' 58' ' ' CYS . 5.8 p -79.91 120.58 24.32 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.842 0.353 . . . . 2.78 110.613 177.276 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.0 t -76.09 153.49 36.29 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.299 -1.0 . . . . 2.69 108.299 173.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -122.13 130.21 53.03 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.906 0.384 . . . . 3.71 111.161 -172.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.624 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 10.2 t -114.26 158.84 20.86 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.375 -0.602 . . . . 1.48 109.375 177.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -106.63 115.83 30.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.018 0.437 . . . . 1.75 110.054 -178.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.3 m -110.23 139.29 34.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.975 -0.557 . . . . 1.08 111.067 -177.008 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.513 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 20.6 pttm -68.19 114.44 6.69 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.418 0.628 . . . . 3.82 110.702 178.386 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.4 142.74 50.73 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.697 -0.683 . . . . 1.13 110.341 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.2 tp -79.93 104.43 10.5 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 108.571 -0.9 . . . . 1.45 108.571 174.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.492 HG22 ' HA ' ' A' ' 38' ' ' VAL . 72.1 p -117.65 152.47 35.13 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.879 -0.6 . . . . 1.14 109.948 -175.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.481 ' CG2' ' HB ' ' A' ' 37' ' ' THR . 10.2 t -96.4 114.21 25.87 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.657 0.742 . . . . 1.32 109.225 177.165 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -63.66 -33.81 76.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 114.871 -1.059 . . . . 2.47 109.878 -177.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -157.4 -63.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.035 -0.984 . . . . 3.09 108.709 173.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -139.8 27.59 2.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.806 -0.634 . . . . 3.29 109.667 173.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -136.72 118.81 15.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.448 -0.797 . . . . 2.74 109.862 -177.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.45 122.34 21.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.84 -0.618 . . . . 1.44 110.363 177.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.02 145.71 33.17 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.227 -0.442 . . . . 1.38 110.459 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -74.88 114.48 13.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.09 0.471 . . . . 2.35 110.881 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.513 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 33.4 mmt180 -114.07 173.29 6.51 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.457 -0.792 . . . . 3.48 109.578 176.352 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -119.48 107.96 13.96 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.324 -0.991 . . . . 1.98 108.324 176.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 39.7 pt -111.53 143.45 21.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.281 0.562 . . . . 0.86 111.45 -169.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.624 ' HA ' ' O ' ' A' ' 85' ' ' THR . 26.5 ptt180 -77.9 126.24 30.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.142 -0.936 . . . . 3.71 111.247 -176.65 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 46.3 pt -125.26 148.9 29.68 Favored 'Isoleucine or valine' 0 C--O 1.243 0.758 0 CA-C-N 115.521 -0.763 . . . . 0.83 110.015 173.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.501 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 30.5 m-20 -66.25 110.19 2.94 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.747 -0.66 . . . . 1.69 109.26 176.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -90.98 -42.64 10.44 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.932 -0.576 . . . . 2.29 111.395 -170.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.492 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -158.08 140.25 14.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.262 -0.427 . . . . 1.14 110.86 -178.249 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.532 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 41.9 t -90.46 98.91 12.06 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.668 -0.864 . . . . 1.56 108.668 176.364 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 m -101.06 151.72 5.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.124 -0.489 . . . . 1.07 110.96 -172.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.676 ' SG ' HG23 ' A' ' 14' ' ' VAL . 67.1 m -96.46 109.0 21.64 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.755 -0.461 . . . . 1.45 109.755 175.071 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.6 m -71.78 165.06 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.434 -0.803 . . . . 1.52 110.705 -177.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.5 mt -119.64 136.77 54.25 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.079 0.466 . . . . 1.67 109.888 174.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.1 t -131.45 141.34 49.78 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.678 -0.86 . . . . 2.62 108.678 173.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 116.603 -0.271 . . . . 6.73 110.546 -177.823 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 . . . . . 0 CA--C 1.52 -0.202 0 CA-C-O 120.994 0.426 . . . . 3.65 111.237 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 23.6 t -150.34 144.44 25.51 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.776 -0.824 . . . . 2.42 108.776 173.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.666 HG23 ' SG ' ' B' ' 110' ' ' CYS . 15.9 m -88.87 6.03 4.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.085 0.469 . . . . 1.41 111.148 -178.294 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.546 ' HB2' ' SG ' ' B' ' 110' ' ' CYS . 34.7 t -144.14 152.2 40.58 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.559 -0.746 . . . . 1.75 109.41 176.63 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.64 114.56 3.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.0 0.428 . . . . 2.87 110.717 -178.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 15.9 m -126.71 151.76 47.71 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.874 -0.603 . . . . 1.72 110.607 -176.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.502 ' HB ' ' NE ' ' B' ' 59' ' ' ARG . 7.3 p -129.15 120.16 50.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.879 0.371 . . . . 1.51 110.401 175.034 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.41 ' HB3' ' CE2' ' B' ' 54' ' ' PHE . 50.7 m -97.38 111.74 23.87 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.937 0.399 . . . . 1.66 110.26 179.004 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 55.3 t -119.56 137.79 52.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.158 -0.473 . . . . 1.03 110.779 -177.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -95.62 95.28 8.25 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.773 -0.825 . . . . 1.61 108.773 170.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 48.7 t -80.3 120.5 31.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.551 -0.75 . . . . 0.96 110.267 -175.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.49 ' HA2' ' O ' ' B' ' 51' ' ' GLN . . . -115.04 17.84 16.89 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.755 -0.736 . . . . 1.27 111.996 179.037 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -140.56 37.26 1.84 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.921 0.391 . . . . 3.01 111.036 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -74.39 129.45 37.79 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.159 -0.682 . . . . 1.32 109.159 178.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 40.0 p -100.74 -38.07 8.45 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.46 0.541 . . . . 1.82 112.46 -172.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.96 139.5 30.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.797 0.332 . . . . 1.0 111.213 -178.38 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.3 164.09 34.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.115 -0.493 . . . . 0.79 110.951 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 2.4 m -96.82 122.68 40.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.089 -0.505 . . . . 1.01 110.572 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -72.62 165.14 25.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.795 -0.639 . . . . 1.84 109.94 176.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.1 tt -59.68 -26.47 35.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-O 121.001 0.429 . . . . 1.33 111.214 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -80.69 -3.8 52.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.344 -0.389 . . . . 2.22 110.935 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.55 10.72 60.17 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.87 -0.681 . . . . 1.25 112.334 177.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -86.62 137.14 32.72 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.754 0.312 . . . . 2.14 111.221 -178.248 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -85.15 114.02 21.96 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.901 -0.777 . . . . 2.19 108.901 172.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 16.7 m -120.41 152.6 23.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 120.989 0.423 . . . . 1.01 111.181 -176.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' THR . . . . . 0.47 ' HB ' ' CG2' ' B' ' 92' ' ' THR . 19.3 m -87.0 114.76 23.88 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.409 -0.814 . . . . 1.04 110.182 -178.33 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.481 ' HA ' HG22 ' B' ' 91' ' ' THR . 54.4 t -80.7 137.71 20.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.922 -0.581 . . . . 1.1 110.122 -177.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 69.3 mt -99.51 113.56 26.03 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.273 -0.64 . . . . 1.91 109.273 177.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.545 ' O ' ' HA ' ' B' ' 50' ' ' ARG . . . -65.71 -36.38 83.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.293 0.568 . . . . 2.18 109.865 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -114.59 114.91 26.34 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.921 -1.036 . . . . 3.59 108.755 176.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.623 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 34.5 m -104.56 132.45 51.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.068 0.461 . . . . 2.39 111.237 -175.505 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -96.04 99.05 10.85 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.737 -0.665 . . . . 3.25 109.827 177.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 65.7 mt -115.42 100.1 9.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.143 -0.481 . . . . 2.77 110.063 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 57.73 50.46 10.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.798 -0.637 . . . . 3.84 110.033 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 63.89 20.14 12.07 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.106 -0.952 . . . . 4.76 111.939 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 32.2 t -118.73 121.72 40.78 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.986 -0.746 . . . . 3.33 108.986 175.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.623 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 47.2 t -103.61 109.39 26.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.957 0.408 . . . . 2.38 111.4 -175.07 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 49' ' ' PHE . . . . . 0.446 ' O ' HG22 ' B' ' 42' ' ' VAL . 64.0 m-85 -109.5 149.43 29.61 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.009 -0.542 . . . . 4.13 109.95 175.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.545 ' HA ' ' O ' ' B' ' 40' ' ' ALA . 20.5 ttm180 -97.5 137.0 37.12 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.86 0.362 . . . . 4.84 110.169 177.219 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.49 ' O ' ' HA2' ' B' ' 23' ' ' GLY . 85.9 mm-40 -86.06 108.51 18.3 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.642 -0.708 . . . . 4.56 111.375 -176.571 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -93.61 123.53 37.0 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.649 -0.5 . . . . 2.45 109.649 175.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -114.03 124.66 52.67 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.668 0.27 . . . . 1.16 110.664 178.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' PHE . . . . . 0.41 ' CE2' ' HB3' ' B' ' 19' ' ' SER . 84.4 t80 -84.67 97.08 9.44 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.16 -0.473 . . . . 3.56 110.201 -178.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' GLU . . . . . 0.503 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 39.4 mt-10 -106.45 109.91 21.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.95 -0.568 . . . . 1.49 110.523 179.756 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 53.4 m -96.48 98.54 10.31 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.846 -0.798 . . . . 1.07 108.846 173.062 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 57' ' ' LYS . . . . . 0.437 ' HA ' HG21 ' B' ' 82' ' ' THR . 23.5 mtpp -103.56 153.89 20.09 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.423 -0.808 . . . . 2.48 110.614 -169.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' CYS . . . . . 0.647 ' SG ' HG23 ' B' ' 82' ' ' THR . 75.4 m -75.12 109.84 8.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.085 -0.507 . . . . 1.73 110.609 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 59' ' ' ARG . . . . . 0.502 ' NE ' ' HB ' ' B' ' 18' ' ' VAL . 65.9 mtt180 -67.85 -50.2 57.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.021 -0.536 . . . . 3.49 110.477 176.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -148.25 96.82 2.68 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.737 -0.665 . . . . 2.58 110.277 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 16.7 p -67.0 140.36 57.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.033 -0.531 . . . . 2.76 110.533 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ASN . . . . . 0.696 ' HA ' ' O ' ' B' ' 67' ' ' GLY . 93.0 m-20 68.6 70.72 0.4 Allowed Pre-proline 0 N--CA 1.466 0.33 0 O-C-N 123.657 0.598 . . . . 2.59 110.849 -178.43 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -62.09 -27.97 79.57 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.498 2.132 . . . . 2.57 111.642 177.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 34.6 m -111.83 163.88 8.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.67 -0.696 . . . . 2.53 109.437 176.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -80.77 57.05 2.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.02 0.438 . . . . 4.2 111.346 -175.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 10.1 p -169.21 -66.31 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.868 -0.606 . . . . 3.9 109.754 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.696 ' O ' ' HA ' ' B' ' 62' ' ' ASN . . . -151.76 -84.2 0.04 OUTLIER Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.891 -0.671 . . . . 2.6 112.113 179.02 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 77.2 m -140.56 173.11 11.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.799 0.333 . . . . 1.74 111.104 -178.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -72.63 135.96 45.6 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.848 -0.427 . . . . 3.95 109.848 -178.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.84 -46.4 3.43 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.727 -0.749 . . . . 1.6 111.969 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' ILE . . . . . 0.678 HG22 ' H ' ' B' ' 72' ' ' ASP . 9.6 mm -76.36 178.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.618 -0.512 . . . . 1.65 109.618 179.311 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 72' ' ' ASP . . . . . 0.678 ' H ' HG22 ' B' ' 71' ' ' ILE . 14.8 m-20 69.93 69.74 0.23 Allowed 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.353 0.597 . . . . 3.32 111.111 173.444 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 15.4 m -117.07 -67.01 1.02 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.608 -0.724 . . . . 4.63 110.493 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -126.7 -60.89 1.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.935 0.346 . . . . 3.06 111.935 -175.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -113.48 5.92 16.89 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.534 0.568 . . . . 3.51 112.534 -172.114 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' TRP . . . . . 0.518 ' O ' ' HA ' ' B' ' 72' ' ' ASP . 75.0 m95 -123.38 137.58 54.79 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.234 0.54 . . . . 3.17 111.386 179.391 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 77' ' ' ASN . . . . . 0.437 ' HA ' ' OD1' ' B' ' 72' ' ' ASP . 6.6 t30 -124.76 135.05 52.64 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.021 -0.99 . . . . 2.7 108.425 174.02 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.489 ' OG ' ' HB3' ' B' ' 110' ' ' CYS . 5.8 t -115.67 173.53 6.49 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.29 0.567 . . . . 1.93 112.188 -173.609 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -171.31 140.09 1.4 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.28 -0.873 . . . . 3.73 109.478 178.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.539 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 7.1 m -86.02 119.16 26.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.897 0.379 . . . . 1.67 110.781 -177.527 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 26.9 m -133.53 133.29 41.96 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.087 -0.506 . . . . 2.25 109.752 178.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.647 HG23 ' SG ' ' B' ' 58' ' ' CYS . 6.8 p -80.05 120.45 24.24 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-O 120.789 0.328 . . . . 2.78 110.692 177.206 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 14.9 t -76.03 153.33 36.52 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.131 -1.063 . . . . 2.69 108.131 174.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -121.89 130.11 53.1 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 120.967 0.413 . . . . 3.71 111.308 -172.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.632 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 10.3 t -114.0 158.89 20.58 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.366 -0.605 . . . . 1.48 109.366 177.75 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.411 ' HB3' ' HB3' ' B' ' 101' ' ' PHE . 95.6 m-85 -106.53 115.94 31.07 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.956 0.408 . . . . 1.75 109.983 -178.235 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 16.2 m -110.39 139.5 33.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.937 -0.574 . . . . 1.08 110.955 -177.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 88' ' ' LYS . . . . . 0.52 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 20.7 pttm -68.38 114.43 6.82 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.835 -0.62 . . . . 3.82 110.719 178.402 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.53 142.83 50.68 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.687 -0.688 . . . . 1.13 110.195 178.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 23.3 tp -79.86 104.32 10.36 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.598 -0.89 . . . . 1.45 108.598 174.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 91' ' ' THR . . . . . 0.481 HG22 ' HA ' ' B' ' 38' ' ' VAL . 71.1 p -117.65 152.49 35.08 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.033 -0.53 . . . . 1.15 110.004 -175.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 92' ' ' THR . . . . . 0.47 ' CG2' ' HB ' ' B' ' 37' ' ' THR . 10.0 t -96.36 114.15 25.8 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.531 0.682 . . . . 1.32 109.314 177.24 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -63.85 -32.89 74.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.024 -0.989 . . . . 2.46 110.072 -177.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -158.19 -64.29 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.004 -0.998 . . . . 3.09 108.536 173.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -139.54 27.89 2.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.865 -0.607 . . . . 3.3 109.56 173.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -137.09 118.74 14.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.376 -0.829 . . . . 2.74 109.918 -177.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.82 122.15 21.1 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.103 -0.499 . . . . 1.44 110.431 177.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.91 145.73 33.35 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.073 -0.512 . . . . 1.39 110.493 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -74.79 114.22 12.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.14 -0.482 . . . . 2.35 111.05 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 100' ' ' ARG . . . . . 0.52 ' O ' ' HA ' ' B' ' 88' ' ' LYS . 33.5 mmt180 -114.0 173.38 6.46 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.509 -0.769 . . . . 3.48 109.498 176.651 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.411 ' HB3' ' HB3' ' B' ' 86' ' ' PHE . 95.4 m-85 -119.63 108.0 13.93 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.373 -0.973 . . . . 1.98 108.373 176.077 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 39.8 pt -111.53 143.32 21.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.291 0.567 . . . . 0.86 111.457 -169.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 103' ' ' ARG . . . . . 0.632 ' HA ' ' O ' ' B' ' 85' ' ' THR . 26.2 ptt180 -77.77 126.49 30.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.15 -0.932 . . . . 3.72 111.222 -176.594 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 46.4 pt -125.54 148.84 30.02 Favored 'Isoleucine or valine' 0 C--O 1.244 0.805 0 CA-C-N 115.647 -0.706 . . . . 0.83 110.033 173.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 105' ' ' ASP . . . . . 0.503 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 32.5 m-20 -66.09 110.05 2.82 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.18 -0.674 . . . . 1.69 109.18 176.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -91.03 -42.71 10.37 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.97 -0.559 . . . . 2.29 111.377 -170.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 107' ' ' ALA . . . . . 0.503 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -157.83 140.56 14.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.319 -0.4 . . . . 1.15 110.704 -178.401 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 108' ' ' CYS . . . . . 0.539 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 42.0 t -90.69 98.97 12.09 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.694 -0.854 . . . . 1.56 108.694 176.141 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 m -101.0 151.69 5.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.011 -0.541 . . . . 1.08 110.955 -173.03 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.666 ' SG ' HG23 ' B' ' 14' ' ' VAL . 66.7 m -96.44 109.09 21.71 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.11 -0.496 . . . . 1.45 109.761 175.076 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 12.6 m -72.0 164.88 3.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.458 -0.792 . . . . 1.52 110.712 -177.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 69.2 mt -119.38 136.9 54.06 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.026 0.441 . . . . 1.67 109.986 174.371 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 43.3 t -131.58 141.15 49.61 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 108.603 -0.888 . . . . 2.62 108.603 173.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 116.468 -0.333 . . . . 6.72 110.549 -177.831 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 . . . . . 0 CA--C 1.519 -0.215 0 CA-C-O 121.195 0.522 . . . . 3.65 110.648 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 m -61.36 118.72 7.29 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.439 -0.8 . . . . 2.42 110.041 177.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.8 m -57.87 -30.31 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.134 0 CA-C-O 120.952 0.406 . . . . 1.41 110.933 177.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.463 ' SG ' ' HB3' ' A' ' 60' ' ' ALA . 43.4 t -109.58 129.45 55.58 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.964 -0.562 . . . . 1.75 109.998 177.42 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -67.36 116.37 8.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.141 -0.481 . . . . 2.87 110.151 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.8 p -132.01 155.57 47.78 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.923 -0.581 . . . . 1.72 110.587 -177.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 56' ' ' THR . 7.1 p -122.83 115.89 47.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.082 0.468 . . . . 1.51 110.893 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.0 m -89.46 119.71 30.15 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.576 -0.527 . . . . 1.66 109.576 175.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 54' ' ' PHE . 53.7 t -118.31 137.48 52.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.092 -0.504 . . . . 1.03 110.973 -174.176 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.422 ' HA ' ' O ' ' A' ' 53' ' ' PHE . 97.6 m95 -95.08 96.91 9.55 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.826 -0.805 . . . . 1.61 108.826 173.63 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.4 t -78.79 136.11 24.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.238 -0.892 . . . . 0.96 110.288 -174.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.12 65.37 2.66 Favored Glycine 0 N--CA 1.45 -0.376 0 O-C-N 123.721 0.638 . . . . 1.27 112.616 -178.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 73.74 0.18 3.55 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.52 0.728 . . . . 3.02 112.018 172.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.3 tttt 51.85 -139.63 0.96 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.159 -0.473 . . . . 1.32 110.72 176.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.2 m -147.05 -51.07 0.2 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.123 -0.361 . . . . 1.82 110.822 176.049 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.0 p -133.06 146.3 51.55 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.486 -0.325 . . . . 1.01 110.596 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.39 164.56 29.9 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.327 -0.397 . . . . 0.79 110.719 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.9 m -103.95 118.91 37.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.407 -0.361 . . . . 1.02 110.693 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -69.42 162.41 27.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.693 -0.685 . . . . 1.85 110.204 177.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.0 tt -59.64 -25.83 32.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.889 0.376 . . . . 1.33 111.419 -178.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -79.54 -6.29 56.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.783 0.325 . . . . 2.22 111.116 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.94 20.58 39.01 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.867 -0.682 . . . . 1.25 111.926 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -95.19 131.78 40.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.565 0.221 . . . . 2.14 110.653 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -84.05 115.09 22.18 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.863 -0.791 . . . . 2.19 108.863 174.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.9 m -117.55 154.99 19.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 116.096 -0.502 . . . . 1.02 110.867 -175.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.2 m -91.75 128.36 37.56 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.726 -0.67 . . . . 1.04 110.043 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.512 ' HA ' HG22 ' A' ' 91' ' ' THR . 36.5 t -90.55 141.48 14.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.296 -0.411 . . . . 1.1 110.017 -179.391 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.2 mt -86.34 126.76 34.57 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.979 -0.555 . . . . 1.91 109.804 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.3 -25.78 67.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.451 0.643 . . . . 2.18 109.89 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -137.13 125.28 23.01 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.868 -1.06 . . . . 3.59 108.674 172.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 49' ' ' PHE . 31.6 m -89.61 126.74 42.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.285 0.564 . . . . 2.4 110.396 -176.563 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -83.53 98.43 9.55 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.896 0.855 . . . . 3.25 110.624 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.8 mm -106.17 152.6 7.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 N-CA-C 107.702 -1.222 . . . . 2.77 107.702 175.148 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -54.89 108.51 0.4 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.778 0.323 . . . . 3.84 111.097 -175.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 66.37 29.16 9.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.196 -0.911 . . . . 4.76 111.685 178.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.4 t -161.83 115.3 1.86 Allowed 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 121.038 0.446 . . . . 3.33 110.937 176.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.7 t -116.44 114.66 46.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 110.005 -0.369 . . . . 2.37 110.005 177.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.444 ' O ' HG22 ' A' ' 42' ' ' VAL . 47.4 p90 -144.59 164.59 30.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.801 0.334 . . . . 4.13 111.079 -175.493 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -84.23 146.01 28.03 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.017 -0.735 . . . . 4.84 109.017 175.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.428 ' HB2' ' CE ' ' B' ' 88' ' ' LYS . 1.5 pp0? -109.65 -15.3 14.19 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.288 -0.565 . . . . 4.56 112.513 -173.777 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 61.17 166.81 0.09 Allowed 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.255 0.835 . . . . 2.46 113.255 171.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.422 ' O ' ' HA ' ' A' ' 21' ' ' TRP . 40.8 m-85 -140.75 160.62 39.65 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.488 -0.778 . . . . 1.16 110.085 172.188 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.416 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 14.1 p90 -126.43 112.99 16.27 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.103 0.477 . . . . 3.56 109.817 176.017 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 32.3 mt-10 -121.89 124.12 43.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.267 -0.424 . . . . 1.49 110.385 -178.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 66.3 m -100.78 113.23 25.96 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.123 -0.489 . . . . 1.07 109.766 177.362 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -103.47 140.83 36.96 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.977 -0.556 . . . . 2.48 110.419 -175.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 77.3 m -76.89 106.69 8.72 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.182 -0.463 . . . . 1.73 110.511 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -75.85 -32.32 59.7 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.217 -0.66 . . . . 3.48 109.217 175.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.476 ' HB1' ' O ' ' A' ' 66' ' ' SER . . . -92.84 140.74 29.19 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.021 -0.99 . . . . 2.58 109.249 173.468 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.4 m -149.12 11.53 0.82 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.593 0.235 . . . . 2.76 111.577 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.401 ' O ' ' HA3' ' A' ' 67' ' ' GLY . 16.0 t-20 -109.0 134.48 20.37 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 109.178 -0.675 . . . . 2.59 109.178 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' A' ' 78' ' ' SER . 2.8 Cg_exo -34.9 -62.56 0.2 Allowed 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 124.225 3.283 . . . . 2.57 114.615 -173.383 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.406 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 58.5 t -123.27 -55.29 2.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 121.036 -0.266 . . . . 2.53 111.559 -176.488 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -45.31 -42.81 10.15 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 123.855 0.722 . . . . 4.19 112.141 -175.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.476 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 21.6 t -138.68 62.76 1.54 Allowed 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.774 -0.825 . . . . 3.9 108.774 176.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 62' ' ' ASN . . . -175.27 -118.05 0.51 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.849 -0.691 . . . . 2.6 112.59 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 86.0 m -84.94 74.76 10.46 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.552 0.691 . . . . 1.73 111.42 -172.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 64' ' ' VAL . 10.8 mtm180 -67.2 126.21 28.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.34 -0.846 . . . . 3.94 109.931 175.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.38 -32.92 3.12 Favored Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 111.213 -0.755 . . . . 1.61 111.213 -174.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.0 mm -75.67 122.93 30.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 1.65 110.11 177.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -142.9 86.84 1.95 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.014 0.435 . . . . 3.32 110.662 -177.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.4 t -157.24 150.77 24.11 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.867 -0.606 . . . . 4.63 109.813 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -93.87 3.15 55.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.256 0.55 . . . . 3.06 109.895 177.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -102.66 -8.33 21.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.542 -0.754 . . . . 3.51 110.415 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.492 ' CE3' ' HB3' ' A' ' 112' ' ' LEU . 83.8 m95 -122.93 140.89 52.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.037 -0.529 . . . . 3.17 111.551 -174.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -118.93 135.05 54.79 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.967 -1.123 . . . . 2.69 107.967 167.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 63' ' ' PRO . 11.0 t -125.28 153.97 42.43 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.696 -0.402 . . . . 1.93 111.117 -172.31 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -173.82 174.38 3.09 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.466 -0.788 . . . . 3.73 109.305 175.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.514 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 35.5 m -103.38 138.92 39.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.196 -0.456 . . . . 1.67 110.732 -176.039 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 61.9 m -131.66 133.6 45.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.435 -0.348 . . . . 2.24 110.666 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.455 ' HB ' ' HB3' ' A' ' 105' ' ' ASP . 23.3 p -83.71 126.09 32.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.01 0.433 . . . . 2.78 110.7 177.5 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.8 p -90.15 128.9 36.46 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.225 -0.443 . . . . 2.69 110.57 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.439 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 10.8 p-80 -99.84 131.07 46.04 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.152 0.501 . . . . 3.71 110.86 -178.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.57 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 12.4 t -117.16 162.66 17.5 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.962 -0.755 . . . . 1.48 108.962 178.257 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.4 ' HA ' ' O ' ' A' ' 102' ' ' ILE . 85.0 m-85 -103.36 116.19 31.96 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.954 0.406 . . . . 1.75 110.084 -177.459 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.5 m -110.27 146.58 15.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.879 -0.6 . . . . 1.08 111.306 -176.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.463 ' CE ' ' HB2' ' B' ' 51' ' ' GLN . 15.4 pttm -75.76 106.68 7.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.28 -0.873 . . . . 3.82 110.871 177.107 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.16 137.67 51.31 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.952 -0.567 . . . . 1.13 110.722 178.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.414 ' HG ' ' HB1' ' A' ' 97' ' ' ALA . 20.0 tp -75.03 104.17 5.5 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.231 -0.655 . . . . 1.45 109.231 177.445 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.512 HG22 ' HA ' ' A' ' 38' ' ' VAL . 48.9 p -127.1 163.48 23.7 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.956 -0.565 . . . . 1.14 110.202 -175.484 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.2 t -110.4 111.07 22.11 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.394 0.616 . . . . 1.32 110.603 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -91.74 3.18 55.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.487 -0.779 . . . . 2.47 110.95 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -161.74 -75.78 0.05 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.175 -0.466 . . . . 3.09 109.907 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -140.26 -56.98 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.726 -0.472 . . . . 3.29 109.726 174.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -65.66 160.18 23.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.06 -0.518 . . . . 2.74 110.016 176.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.414 ' HB1' ' HG ' ' A' ' 90' ' ' LEU . . . -107.06 138.05 43.98 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.238 -0.437 . . . . 1.44 110.619 -178.574 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.73 150.79 40.57 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.224 -0.444 . . . . 1.38 110.61 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -74.31 99.31 3.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.133 -0.485 . . . . 2.35 110.101 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -99.73 164.29 12.11 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.631 -0.713 . . . . 3.48 109.68 -178.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -105.52 104.1 13.75 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.232 -0.655 . . . . 1.98 109.232 177.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 23.9 pt -112.74 145.82 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.058 -0.519 . . . . 0.86 111.384 -171.497 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.57 ' HA ' ' O ' ' A' ' 85' ' ' THR . 7.0 ptm180 -79.68 119.32 22.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.616 -0.72 . . . . 3.71 111.804 -176.777 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.439 ' O ' ' HA ' ' A' ' 84' ' ' HIS . 47.9 pt -121.01 143.24 33.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.8 -0.637 . . . . 0.83 109.504 170.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.455 ' HB3' ' HB ' ' A' ' 82' ' ' THR . 2.7 m-20 -76.24 98.14 4.37 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.253 -0.647 . . . . 1.69 109.253 178.26 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.9 t -93.9 -20.86 19.63 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.368 0.507 . . . . 2.29 112.368 -167.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.447 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -147.5 161.39 41.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.922 0.392 . . . . 1.14 111.516 -176.634 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.514 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 40.4 t -123.1 110.68 15.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.59 -0.732 . . . . 1.56 109.039 177.517 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.0 m -103.77 151.38 6.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.134 -0.485 . . . . 1.07 111.305 -173.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 36.7 t -94.21 121.27 35.54 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.465 -0.789 . . . . 1.45 108.873 174.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.7 m -114.07 156.25 15.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.89 0.376 . . . . 1.52 111.559 -176.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.492 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . 81.5 mt -122.68 137.63 54.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.865 -0.607 . . . . 1.67 109.816 173.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 48.1 t -122.89 141.83 51.46 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.815 -0.439 . . . . 2.62 109.815 178.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 115.656 -0.702 . . . . 6.73 110.126 -179.162 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 . . . . . 0 CA--C 1.521 -0.172 0 CA-C-O 121.215 0.531 . . . . 3.65 110.644 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 5.0 m -61.19 118.41 6.8 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.409 -0.814 . . . . 2.42 110.07 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.2 m -57.73 -30.44 37.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-O 120.996 0.427 . . . . 1.41 110.862 177.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.458 ' SG ' ' HB3' ' B' ' 60' ' ' ALA . 44.2 t -109.25 129.26 55.51 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.889 -0.596 . . . . 1.75 109.921 177.522 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -67.38 117.28 9.15 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.145 -0.48 . . . . 2.87 110.196 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 12.3 p -132.76 155.79 48.25 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.938 -0.573 . . . . 1.72 110.537 -177.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' B' ' 56' ' ' THR . 7.1 p -123.11 116.03 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-O 121.221 0.534 . . . . 1.51 110.774 179.459 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 48.8 m -89.66 119.64 30.25 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.667 -0.494 . . . . 1.66 109.667 175.674 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' B' ' 54' ' ' PHE . 57.3 t -118.34 137.77 51.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.256 -0.429 . . . . 1.03 110.762 -173.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' TRP . . . . . 0.428 ' HA ' ' O ' ' B' ' 53' ' ' PHE . 97.9 m95 -95.42 96.71 9.29 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.84 -0.8 . . . . 1.61 108.84 173.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 54.7 t -78.57 136.0 24.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-N 115.267 -0.879 . . . . 0.96 110.214 -174.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.08 65.31 2.65 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.825 -0.625 . . . . 1.27 112.493 -178.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 73.55 0.57 3.69 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.566 0.746 . . . . 3.01 112.0 172.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 50.6 tttt 51.91 -139.09 1.01 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 122.854 0.462 . . . . 1.32 110.728 176.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 25.4 m -147.21 -51.31 0.2 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.915 0.388 . . . . 1.82 110.837 175.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 7.4 p -133.18 146.11 51.22 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.396 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.22 165.09 28.48 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.258 -0.428 . . . . 0.79 110.585 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 15.2 m -104.38 118.71 37.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.372 -0.377 . . . . 1.01 110.773 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -69.21 162.81 26.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.923 -0.58 . . . . 1.84 110.163 177.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 17.0 tt -59.99 -25.53 33.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.982 0.42 . . . . 1.33 111.377 -178.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -79.92 -6.43 57.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.388 -0.369 . . . . 2.22 110.925 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.34 19.78 40.67 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.869 -0.681 . . . . 1.25 112.027 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -94.59 131.9 39.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.6 0.238 . . . . 2.14 110.719 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -84.24 114.79 22.08 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.941 -0.762 . . . . 2.19 108.941 174.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 35.6 m -117.37 155.02 19.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 116.007 -0.542 . . . . 1.01 110.955 -175.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' THR . . . . . 0.421 ' HB ' HG23 ' B' ' 92' ' ' THR . 20.0 m -91.82 128.27 37.59 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.739 -0.664 . . . . 1.04 110.07 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.489 ' HA ' HG22 ' B' ' 91' ' ' THR . 36.4 t -90.59 141.49 14.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.32 -0.4 . . . . 1.1 110.089 -179.335 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 62.6 mt -86.5 126.72 34.64 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.031 -0.531 . . . . 1.91 109.794 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.46 -25.58 67.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.393 0.616 . . . . 2.18 110.031 178.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -137.13 125.22 22.93 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.969 -1.014 . . . . 3.59 108.657 172.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.425 HG22 ' O ' ' B' ' 49' ' ' PHE . 31.4 m -89.52 126.53 42.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 121.329 0.585 . . . . 2.39 110.306 -176.537 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -83.55 98.6 9.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.905 0.86 . . . . 3.25 110.58 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.0 mm -106.17 152.58 7.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 107.666 -1.235 . . . . 2.77 107.666 175.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -55.26 108.82 0.46 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.94 0.4 . . . . 3.84 110.958 -175.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 66.29 29.16 9.68 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 114.988 -1.006 . . . . 4.76 111.779 178.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 29.0 t -162.07 115.39 1.8 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.95 0.405 . . . . 3.33 110.939 176.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 57.6 t -116.51 115.09 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.898 -0.408 . . . . 2.38 109.898 177.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' PHE . . . . . 0.425 ' O ' HG22 ' B' ' 42' ' ' VAL . 47.7 p90 -144.64 165.26 28.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.576 -0.284 . . . . 4.13 111.095 -175.567 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -85.06 146.08 27.35 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.919 -0.771 . . . . 4.84 108.919 176.092 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.463 ' HB2' ' CE ' ' A' ' 88' ' ' LYS . 1.5 pp0? -109.65 -15.14 14.23 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.32 -0.552 . . . . 4.56 112.463 -173.669 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 60.99 166.97 0.09 Allowed 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.335 0.865 . . . . 2.45 113.335 171.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' PHE . . . . . 0.428 ' O ' ' HA ' ' B' ' 21' ' ' TRP . 40.4 m-85 -140.84 160.57 39.77 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.582 -0.735 . . . . 1.16 110.03 172.252 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' PHE . . . . . 0.415 ' HA ' ' O ' ' B' ' 20' ' ' VAL . 13.8 p90 -126.41 112.92 16.2 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.032 0.444 . . . . 3.56 109.906 175.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -121.68 124.16 43.62 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.298 -0.41 . . . . 1.49 110.508 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 71.1 m -101.07 113.32 26.22 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.659 -0.497 . . . . 1.07 109.659 177.45 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -103.38 140.31 37.62 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.934 -0.576 . . . . 2.48 110.465 -176.057 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 75.0 m -76.43 107.03 8.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.079 -0.509 . . . . 1.73 110.464 178.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -76.03 -32.37 59.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.517 0.675 . . . . 3.49 109.281 175.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' ALA . . . . . 0.496 ' HB1' ' O ' ' B' ' 66' ' ' SER . . . -92.77 140.64 29.31 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.192 -0.913 . . . . 2.58 109.273 173.582 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 50.4 m -149.2 12.32 0.83 Allowed 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.978 -0.289 . . . . 2.76 111.51 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -109.42 134.42 20.52 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 109.26 -0.644 . . . . 2.59 109.26 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' PRO . . . . . 0.423 ' HA ' ' O ' ' B' ' 78' ' ' SER . 2.7 Cg_exo -34.57 -62.75 0.19 Allowed 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 124.37 3.38 . . . . 2.57 114.602 -173.452 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 58.0 t -123.05 -55.26 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.959 -0.296 . . . . 2.53 111.66 -176.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -45.58 -42.36 11.02 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.822 0.701 . . . . 4.2 112.135 -175.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' SER . . . . . 0.496 ' O ' ' HB1' ' B' ' 60' ' ' ALA . 22.3 t -138.9 62.85 1.53 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.801 -0.815 . . . . 3.9 108.801 176.597 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -175.38 -118.15 0.51 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.764 -0.731 . . . . 2.6 112.534 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 86.4 m -85.03 75.0 10.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.528 0.68 . . . . 1.74 111.42 -172.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -67.14 126.56 29.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.251 -0.886 . . . . 3.95 109.96 175.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.03 -32.8 3.2 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.689 -0.767 . . . . 1.6 111.301 -175.01 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 48.9 mm -75.57 123.53 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.97 -0.382 . . . . 1.65 109.97 177.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -143.55 86.35 1.88 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.105 0.478 . . . . 3.32 110.681 -177.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 42.5 t -157.04 150.61 24.34 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.818 -0.628 . . . . 4.63 109.847 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -93.92 3.37 55.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.139 0.495 . . . . 3.06 109.769 177.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -102.82 -8.33 20.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.686 -0.688 . . . . 3.51 110.428 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' TRP . . . . . 0.481 ' CE3' ' HB3' ' B' ' 112' ' ' LEU . 83.8 m95 -122.94 140.67 52.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.248 0.546 . . . . 3.17 111.613 -174.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -118.83 134.98 54.78 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.091 -1.078 . . . . 2.7 108.091 167.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 10.8 t -125.5 153.76 43.09 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.749 -0.38 . . . . 1.93 111.039 -172.155 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -173.64 174.46 3.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.457 -0.792 . . . . 3.73 109.357 175.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.512 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 35.4 m -103.51 138.98 39.47 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.142 -0.481 . . . . 1.67 110.724 -176.191 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 62.3 m -131.66 133.61 45.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.487 -0.324 . . . . 2.25 110.482 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.456 ' HB ' ' HB3' ' B' ' 105' ' ' ASP . 23.8 p -83.6 126.39 32.78 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 120.888 0.375 . . . . 2.78 110.791 177.244 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 14.3 p -90.22 128.68 36.45 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.244 -0.435 . . . . 2.69 110.718 179.174 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' HIS . . . . . 0.445 ' HA ' ' O ' ' B' ' 104' ' ' ILE . 11.0 p-80 -99.61 131.28 45.71 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.099 0.476 . . . . 3.71 110.746 -179.073 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.573 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 12.7 t -117.38 162.63 17.62 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.817 -0.808 . . . . 1.48 108.817 178.279 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.4 ' HB3' ' HB3' ' B' ' 101' ' ' PHE . 85.3 m-85 -103.46 116.37 32.28 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.052 0.453 . . . . 1.75 110.03 -177.48 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 26.0 m -110.44 146.61 15.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.838 -0.619 . . . . 1.08 111.222 -176.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 88' ' ' LYS . . . . . 0.428 ' CE ' ' HB2' ' A' ' 51' ' ' GLN . 15.4 pttm -75.83 106.92 7.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.309 -0.859 . . . . 3.82 110.774 177.216 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.22 137.6 51.21 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.816 -0.629 . . . . 1.13 110.708 178.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 20.0 tp -74.99 104.24 5.5 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.201 -0.666 . . . . 1.45 109.201 177.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 91' ' ' THR . . . . . 0.489 HG22 ' HA ' ' B' ' 38' ' ' VAL . 51.2 p -127.12 163.44 23.81 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.868 -0.605 . . . . 1.15 110.294 -175.67 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 92' ' ' THR . . . . . 0.421 HG23 ' HB ' ' B' ' 37' ' ' THR . 4.0 t -110.62 110.73 21.54 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.496 0.665 . . . . 1.32 110.55 178.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -91.31 3.38 55.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.405 -0.816 . . . . 2.46 110.885 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -161.84 -76.33 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.223 -0.444 . . . . 3.09 109.867 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -139.96 -56.87 0.56 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.795 -0.446 . . . . 3.3 109.795 175.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -65.7 159.98 23.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.122 -0.49 . . . . 2.74 110.024 176.032 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -107.23 137.84 44.53 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.291 -0.413 . . . . 1.44 110.705 -178.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.52 150.71 40.81 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.391 -0.368 . . . . 1.39 110.569 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -74.14 99.43 3.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.164 -0.471 . . . . 2.35 110.064 177.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -99.76 164.75 11.91 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.61 -0.723 . . . . 3.48 109.767 -179.032 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.4 ' HB3' ' HB3' ' B' ' 86' ' ' PHE . 97.1 m-85 -106.05 104.11 13.75 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.2 -0.667 . . . . 1.98 109.2 177.251 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 24.0 pt -112.9 145.65 18.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.074 -0.512 . . . . 0.86 111.424 -171.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 103' ' ' ARG . . . . . 0.573 ' HA ' ' O ' ' B' ' 85' ' ' THR . 6.9 ptm180 -79.4 119.1 21.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.6 -0.727 . . . . 3.72 111.822 -176.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 104' ' ' ILE . . . . . 0.445 ' O ' ' HA ' ' B' ' 84' ' ' HIS . 47.9 pt -120.95 143.18 33.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.848 -0.615 . . . . 0.83 109.583 170.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 105' ' ' ASP . . . . . 0.456 ' HB3' ' HB ' ' B' ' 82' ' ' THR . 2.5 m-20 -76.28 98.18 4.4 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.347 -0.612 . . . . 1.69 109.347 178.197 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 8.9 t -93.94 -20.94 19.54 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.311 0.486 . . . . 2.29 112.311 -167.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 107' ' ' ALA . . . . . 0.44 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -147.53 161.36 41.26 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.698 -0.401 . . . . 1.15 111.554 -176.648 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 108' ' ' CYS . . . . . 0.512 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 41.3 t -122.98 110.72 15.73 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.583 -0.735 . . . . 1.56 109.037 177.581 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 20.7 m -103.83 151.35 6.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.089 0.471 . . . . 1.08 111.409 -173.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 36.6 t -94.1 121.32 35.48 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.794 -0.817 . . . . 1.45 108.794 174.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 21.7 m -114.0 156.53 14.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.916 0.389 . . . . 1.52 111.62 -176.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.481 ' HB3' ' CE3' ' B' ' 76' ' ' TRP . 81.6 mt -122.94 137.82 54.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.893 -0.594 . . . . 1.67 109.674 173.717 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 47.5 t -123.08 141.81 51.56 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.824 -0.436 . . . . 2.62 109.824 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 115.62 -0.718 . . . . 6.72 110.248 -179.183 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.415 ' HB3' ' H ' ' B' ' 112' ' ' LEU . 36.5 m-85 . . . . . 0 CA--C 1.519 -0.226 0 CA-C-O 121.117 0.484 . . . . 3.65 110.565 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.7 t -77.74 134.1 38.15 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.677 -0.692 . . . . 2.42 109.66 177.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.441 ' O ' ' HB3' ' A' ' 68' ' ' CYS . 35.4 m -65.29 -21.75 29.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.008 -0.542 . . . . 1.41 110.844 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.3 t -121.46 134.27 55.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.834 -0.621 . . . . 1.75 110.407 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.424 ' CG ' HH21 ' A' ' 69' ' ' ARG . 1.1 m-20 -64.58 115.59 5.35 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.935 -0.575 . . . . 2.87 110.883 179.097 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.2 p -140.64 159.03 43.08 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.761 -0.654 . . . . 1.72 110.958 -176.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.5 p -125.24 121.03 59.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.005 -0.543 . . . . 1.51 110.631 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.445 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 49.3 m -92.07 121.69 33.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.378 -0.374 . . . . 1.66 110.118 177.364 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.4 t -118.75 137.87 51.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.477 -0.329 . . . . 1.03 110.902 -176.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -100.69 95.59 6.77 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.937 -0.764 . . . . 1.61 108.937 172.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.2 t -78.28 113.62 17.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.976 -0.556 . . . . 0.96 110.579 -176.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.61 -6.46 64.02 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.872 -0.68 . . . . 1.27 112.296 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -144.4 67.45 1.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.358 0.599 . . . . 3.02 110.124 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.747 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 57.1 tttp -85.16 95.69 9.23 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.758 -0.83 . . . . 1.32 108.758 175.135 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 37' ' ' THR . 13.1 t -69.47 -29.02 66.59 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.105 0.409 . . . . 1.82 112.105 -170.715 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 4.0 p -141.61 146.06 35.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.002 0.429 . . . . 1.01 111.345 -179.289 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -145.09 166.38 25.53 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.768 -0.651 . . . . 0.79 110.23 176.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.5 m -94.69 121.13 35.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.131 -0.486 . . . . 1.02 110.584 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -71.51 156.79 39.03 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.255 -0.884 . . . . 1.85 110.077 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.0 tt -64.51 -18.0 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.068 -0.515 . . . . 1.33 110.753 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -87.66 -4.5 58.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 2.22 111.13 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.67 24.22 28.69 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.779 -0.724 . . . . 1.25 111.964 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -99.49 165.48 11.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.94 0.4 . . . . 2.14 110.423 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -108.32 114.5 28.42 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.363 -0.977 . . . . 2.19 108.363 172.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 27' ' ' THR . 17.3 m -115.73 147.38 19.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.147 -0.479 . . . . 1.02 111.75 -173.458 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 26' ' ' THR . 24.6 m -87.82 110.82 20.78 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.392 -0.822 . . . . 1.04 110.004 179.193 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.747 ' HB ' ' O ' ' A' ' 25' ' ' LYS . 29.8 t -87.21 132.43 32.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.112 -0.494 . . . . 1.1 110.121 -176.687 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.47 ' C ' ' H ' ' A' ' 41' ' ' GLU . 82.9 mt -86.9 -19.93 28.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.274 -0.421 . . . . 1.91 111.286 -176.003 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.42 ' H ' HG12 ' A' ' 38' ' ' VAL . . . 72.53 -30.75 0.21 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.713 0.805 . . . . 2.18 111.459 -178.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.512 ' HG2' ' HG2' ' A' ' 50' ' ' ARG . 43.7 mt-10 -105.52 155.03 19.57 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.876 -0.787 . . . . 3.59 108.876 176.703 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 26.0 m -116.86 117.0 53.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.462 0.649 . . . . 2.4 110.856 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.461 ' H ' ' CD2' ' A' ' 90' ' ' LEU . 48.0 m-80 -96.35 99.77 11.43 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.481 -0.781 . . . . 3.25 109.252 177.225 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.0 mt -93.22 -84.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 C-N-CA 120.989 -0.284 . . . . 2.77 110.329 -178.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -125.52 -67.92 0.86 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.565 -0.532 . . . . 3.84 109.565 177.014 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -133.19 46.73 2.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.855 -0.611 . . . . 4.76 109.746 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.2 t -162.27 125.81 3.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.897 -0.592 . . . . 3.33 109.837 -177.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.533 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 36.9 t -127.15 96.61 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 2.37 110.212 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.507 ' O ' HG22 ' A' ' 42' ' ' VAL . 11.6 p90 -120.51 142.49 49.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.391 0.615 . . . . 4.13 111.48 -178.378 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.512 ' HG2' ' HG2' ' A' ' 41' ' ' GLU . 70.2 mtm180 -83.69 -164.81 0.97 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.244 -0.889 . . . . 4.84 111.38 -177.211 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.493 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 41.9 tp60 -150.39 -46.75 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.776 -0.647 . . . . 4.56 110.426 -178.749 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.493 ' HB2' ' O ' ' A' ' 51' ' ' GLN . 49.3 m-85 72.33 123.42 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.988 0.805 . . . . 2.46 110.005 -172.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -95.86 117.34 30.39 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.743 -0.662 . . . . 1.16 110.865 -174.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -83.73 107.68 16.31 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.315 -0.857 . . . . 3.56 110.53 -177.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.581 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 34.5 mt-10 -120.86 116.01 24.35 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.744 -0.662 . . . . 1.49 110.347 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' A' ' 19' ' ' SER . 57.9 m -95.63 114.42 26.17 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.812 -0.44 . . . . 1.07 109.812 175.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -107.64 140.63 40.36 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.998 -0.546 . . . . 2.48 110.604 -175.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 39.0 m -73.42 107.76 5.89 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.419 -0.586 . . . . 1.73 109.419 176.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -83.9 -0.57 51.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.222 0.534 . . . . 3.48 109.92 -179.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -156.16 134.71 11.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.238 -0.892 . . . . 2.58 109.207 175.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.6 p -83.7 -30.78 26.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.236 0.541 . . . . 2.76 109.875 177.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -141.15 86.94 11.02 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.116 -0.947 . . . . 2.59 109.081 175.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -54.44 -33.98 79.63 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.728 2.285 . . . . 2.57 112.575 -178.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.9 m -118.33 155.4 20.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.574 -0.528 . . . . 2.53 109.574 176.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -79.33 64.16 4.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.452 0.644 . . . . 4.19 110.653 -175.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.8 p -177.65 -22.57 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.883 -1.053 . . . . 3.9 109.748 -178.013 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.411 ' CA ' ' HB2' ' A' ' 78' ' ' SER . . . 153.58 -115.56 0.68 Allowed Glycine 0 N--CA 1.445 -0.76 0 CA-C-N 115.638 -0.71 . . . . 2.6 111.37 179.683 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.441 ' HB3' ' O ' ' A' ' 14' ' ' VAL . 72.0 m -111.28 172.74 6.71 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.126 -0.324 . . . . 1.73 110.126 177.33 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.424 HH21 ' CG ' ' A' ' 16' ' ' ASP . 90.8 mtt180 -65.3 122.08 16.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.576 -0.284 . . . . 3.94 110.828 -175.714 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 85.61 -0.3 88.15 Favored Glycine 0 N--CA 1.454 -0.131 0 C-N-CA 120.874 -0.679 . . . . 1.61 113.644 172.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.543 HG22 ' H ' ' A' ' 73' ' ' SER . 50.4 mm -78.76 137.96 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.062 0.458 . . . . 1.65 110.378 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -54.68 -37.44 65.78 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.259 -0.882 . . . . 3.32 112.22 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.543 ' H ' HG22 ' A' ' 71' ' ' ILE . 31.3 t 77.04 -40.54 0.36 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.506 0.723 . . . . 4.63 112.154 175.171 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -73.84 -40.47 63.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.253 0.549 . . . . 3.06 110.518 -177.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -93.52 -15.35 25.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.737 -0.665 . . . . 3.51 111.031 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.462 ' O ' ' HA ' ' A' ' 73' ' ' SER . 90.4 m95 -142.25 115.4 8.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.441 -0.345 . . . . 3.17 111.502 -175.547 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.519 ' HB3' ' O ' ' A' ' 113' ' ' SER . 28.3 t-20 -86.19 137.15 32.86 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 107.904 -1.147 . . . . 2.69 107.904 170.377 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.755 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 3.1 m -111.07 143.92 41.02 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.943 0.401 . . . . 1.93 111.789 -170.687 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.439 ' O ' HG22 ' A' ' 111' ' ' VAL . 76.9 t80 -148.13 135.13 20.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.692 -0.686 . . . . 3.73 109.539 174.657 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.612 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 71.7 m -88.2 130.06 35.17 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.009 0.433 . . . . 1.67 111.102 -178.32 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.464 ' O ' HG22 ' A' ' 109' ' ' VAL . 60.1 m -137.73 133.92 34.71 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.914 -0.585 . . . . 2.24 109.884 178.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.3 p -81.4 129.76 34.76 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.857 0.361 . . . . 2.78 111.136 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.5 t -86.34 140.44 30.05 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 108.793 -0.818 . . . . 2.69 108.793 174.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -123.5 146.55 47.98 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.017 0.436 . . . . 3.71 111.485 -170.256 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.594 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 11.5 t -128.98 173.62 10.27 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.63 -0.714 . . . . 1.48 109.352 178.493 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -117.49 116.81 27.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.019 0.437 . . . . 1.75 110.93 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.3 m -114.39 139.75 38.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.813 -0.631 . . . . 1.08 110.029 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 62.4 pttt -87.42 116.08 25.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.581 0.705 . . . . 3.82 110.677 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -126.98 153.36 45.98 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.347 -0.842 . . . . 1.13 110.002 -178.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.461 ' CD2' ' H ' ' A' ' 43' ' ' ASN . 21.2 tp -73.66 112.84 10.14 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.303 0.573 . . . . 1.45 109.93 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 47.6 p -114.82 159.71 20.31 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.342 -0.844 . . . . 1.14 109.695 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.498 ' HA ' ' O ' ' A' ' 96' ' ' GLN . 9.9 t -111.62 123.61 50.6 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 121.622 0.725 . . . . 1.32 111.295 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -106.17 98.32 8.02 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.018 -0.992 . . . . 2.47 108.7 176.158 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 68.05 -80.63 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.363 -0.835 . . . . 3.09 110.606 -175.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -128.17 -13.26 5.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.801 0.334 . . . . 3.29 110.819 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.498 ' O ' ' HA ' ' A' ' 92' ' ' THR . 2.1 mp0 -85.36 156.31 20.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.41 -0.359 . . . . 2.74 110.532 -175.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -122.61 116.88 24.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.227 -0.442 . . . . 1.44 109.937 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.78 144.95 47.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.828 0.347 . . . . 1.38 111.313 -175.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 51.6 m95 -76.98 102.21 6.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.869 -0.605 . . . . 2.35 110.031 178.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 22.9 mmm180 -109.39 145.98 35.2 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.949 0.404 . . . . 3.48 111.14 -177.265 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -83.41 111.47 19.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.491 -0.777 . . . . 1.98 110.072 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 36.4 pt -114.23 148.86 16.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.751 -0.659 . . . . 0.86 110.441 -178.16 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.594 ' HA ' ' O ' ' A' ' 85' ' ' THR . 32.7 ptt180 -86.45 133.67 33.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.085 -0.507 . . . . 3.71 110.944 -177.071 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 40.4 pt -132.21 151.28 34.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.835 -0.621 . . . . 0.83 110.047 174.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.581 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 37.8 m-20 -86.82 119.83 27.45 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.821 -0.437 . . . . 1.69 109.821 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 18.5 p -90.69 -39.33 12.51 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.721 0.296 . . . . 2.29 111.603 -174.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -153.28 157.71 40.55 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.929 0.395 . . . . 1.14 111.095 -177.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.612 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 41.0 t -104.65 110.68 23.1 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.24 -0.652 . . . . 1.56 109.24 176.548 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 81' ' ' THR . 16.7 m -98.05 152.98 4.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.147 -0.478 . . . . 1.07 110.154 -176.252 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.755 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 53.0 t -107.71 104.7 14.28 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.423 -0.584 . . . . 1.45 109.423 177.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 79' ' ' TYR . 28.6 m -78.18 135.45 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.829 -0.434 . . . . 1.52 109.829 -179.283 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.451 ' HB3' ' HB3' ' A' ' 76' ' ' TRP . 72.7 mt -112.78 136.8 51.98 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.473 -0.331 . . . . 1.67 111.051 -177.62 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.519 ' O ' ' HB3' ' A' ' 77' ' ' ASN . 33.7 p 179.72 113.9 0.04 OUTLIER 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.728 -0.669 . . . . 2.62 110.161 173.556 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.435 ' HD2' ' O ' ' A' ' 114' ' ' ARG . 1.6 tmm_? . . . . . 0 C--N 1.321 -0.644 0 N-CA-C 108.146 -1.057 . . . . 6.73 108.146 167.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' PHE . . . . . 0.447 ' HB3' ' H ' ' A' ' 112' ' ' LEU . 36.8 m-85 . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 121.079 0.466 . . . . 3.65 110.42 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 45.6 t -77.78 134.09 38.11 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.806 -0.634 . . . . 2.42 109.741 177.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.433 ' O ' ' HB3' ' B' ' 68' ' ' CYS . 35.4 m -65.14 -21.52 29.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.08 -0.509 . . . . 1.41 110.901 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 38.8 t -121.81 134.17 54.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.823 -0.626 . . . . 1.75 110.304 176.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' ASP . . . . . 0.425 ' CG ' HH21 ' B' ' 69' ' ' ARG . 1.0 OUTLIER -64.82 115.86 5.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.929 -0.578 . . . . 2.87 110.774 179.297 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 3.2 p -140.7 159.28 42.54 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.735 -0.666 . . . . 1.72 110.854 -176.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.7 p -125.29 121.29 60.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.14 -0.482 . . . . 1.51 110.736 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.442 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 48.1 m -92.56 121.59 34.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.389 -0.369 . . . . 1.66 110.154 177.427 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 68.7 t -118.77 137.91 51.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.313 -0.403 . . . . 1.03 111.0 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -100.84 95.97 6.98 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.907 -0.775 . . . . 1.61 108.907 172.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 23.6 t -78.61 113.64 18.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.94 -0.573 . . . . 0.96 110.53 -175.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.85 -5.94 64.01 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.833 -0.699 . . . . 1.27 112.269 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -144.68 67.12 1.25 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.386 0.612 . . . . 3.01 110.054 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.742 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 57.1 tttp -84.63 95.73 8.98 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.725 -0.842 . . . . 1.32 108.725 175.079 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 12.9 t -69.85 -29.02 66.17 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.04 0.385 . . . . 1.82 112.04 -170.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' B' ' 36' ' ' VAL . 4.3 p -141.52 145.95 35.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.051 0.453 . . . . 1.0 111.217 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.98 166.61 24.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.672 -0.695 . . . . 0.79 110.241 176.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 12.1 m -94.97 121.05 36.19 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.161 -0.472 . . . . 1.01 110.554 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -71.83 156.44 39.3 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.213 -0.903 . . . . 1.84 110.003 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.0 tt -64.08 -18.03 21.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.35 0.595 . . . . 1.33 110.845 179.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -87.54 -4.91 58.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.08 -0.509 . . . . 2.22 111.045 177.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.05 24.5 26.99 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.923 -0.656 . . . . 1.25 111.917 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -99.79 165.2 11.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.932 0.396 . . . . 2.14 110.452 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -107.54 114.9 29.2 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.517 -0.92 . . . . 2.19 108.517 172.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' B' ' 27' ' ' THR . 17.6 m -115.99 147.38 19.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.13 0.491 . . . . 1.01 111.754 -173.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 25.2 m -88.09 110.45 20.66 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.249 -0.887 . . . . 1.04 109.829 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.742 ' HB ' ' O ' ' B' ' 25' ' ' LYS . 31.0 t -87.11 132.45 32.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.179 -0.464 . . . . 1.1 110.025 -176.423 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' LEU . . . . . 0.473 ' C ' ' H ' ' B' ' 41' ' ' GLU . 83.2 mt -87.09 -19.47 28.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.256 -0.429 . . . . 1.91 111.217 -175.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.423 ' H ' HG12 ' B' ' 38' ' ' VAL . . . 71.99 -30.61 0.21 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.63 0.772 . . . . 2.18 111.488 -178.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.504 ' HG2' ' HG2' ' B' ' 50' ' ' ARG . 43.8 mt-10 -105.37 155.22 19.32 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.871 -0.788 . . . . 3.59 108.871 176.579 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 26.0 m -117.13 117.31 54.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 121.426 0.632 . . . . 2.39 110.69 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.469 ' H ' ' CD2' ' B' ' 90' ' ' LEU . 48.1 m-80 -96.42 99.9 11.53 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.326 -0.852 . . . . 3.25 109.29 176.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 68.5 mt -93.25 -85.0 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.561 -0.29 . . . . 2.77 110.284 -179.003 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -124.94 -67.93 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.538 -0.542 . . . . 3.84 109.538 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -132.89 46.4 2.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.917 -0.583 . . . . 4.76 109.829 178.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 17.7 t -161.94 125.6 3.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.968 -0.56 . . . . 3.33 109.849 -177.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.529 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 36.0 t -126.81 96.83 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 2.38 110.101 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' PHE . . . . . 0.508 ' O ' HG22 ' B' ' 42' ' ' VAL . 12.0 p90 -120.61 142.43 49.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.349 0.595 . . . . 4.13 111.512 -178.402 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.504 ' HG2' ' HG2' ' B' ' 41' ' ' GLU . 69.7 mtm180 -83.63 -164.49 0.92 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.278 -0.874 . . . . 4.84 111.379 -177.131 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.485 ' O ' ' HB2' ' B' ' 52' ' ' TYR . 42.0 tp60 -150.89 -46.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.717 -0.674 . . . . 4.56 110.521 -178.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 52' ' ' TYR . . . . . 0.485 ' HB2' ' O ' ' B' ' 51' ' ' GLN . 49.0 m-85 71.92 123.43 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.847 0.717 . . . . 2.45 109.982 -172.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -96.02 117.41 30.61 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.697 -0.683 . . . . 1.16 110.761 -174.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -83.74 107.58 16.26 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.371 -0.831 . . . . 3.56 110.559 -177.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' GLU . . . . . 0.584 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 34.9 mt-10 -120.66 116.24 24.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.761 -0.654 . . . . 1.49 110.316 179.149 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' B' ' 19' ' ' SER . 59.4 m -95.77 114.2 25.91 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.184 -0.462 . . . . 1.07 109.806 175.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -107.3 140.69 39.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.964 -0.562 . . . . 2.48 110.6 -175.12 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' CYS . . . . . 0.404 ' SG ' HG23 ' B' ' 82' ' ' THR . 38.4 m -73.59 107.52 5.9 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.566 -0.531 . . . . 1.73 109.566 176.458 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -83.75 -0.26 50.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.337 0.589 . . . . 3.49 109.954 -179.076 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -156.39 134.75 11.45 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.272 -0.876 . . . . 2.58 109.221 175.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 16.0 p -83.85 -30.55 26.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.145 0.498 . . . . 2.76 109.814 177.325 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -141.45 87.21 10.53 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.06 -0.973 . . . . 2.59 108.988 175.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -54.68 -34.1 82.42 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.806 2.338 . . . . 2.57 112.457 -178.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 35.9 m -118.23 155.28 20.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.114 -0.493 . . . . 2.53 109.696 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -79.17 64.27 4.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.524 0.678 . . . . 4.2 110.56 -175.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 24.4 p -177.79 -22.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.912 -1.04 . . . . 3.9 109.704 -178.09 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.415 ' CA ' ' HB2' ' B' ' 78' ' ' SER . . . 153.46 -115.49 0.68 Allowed Glycine 0 N--CA 1.443 -0.881 0 CA-C-N 115.651 -0.704 . . . . 2.6 111.461 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.433 ' HB3' ' O ' ' B' ' 14' ' ' VAL . 71.5 m -111.42 172.84 6.65 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 110.035 -0.358 . . . . 1.74 110.035 177.44 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 69' ' ' ARG . . . . . 0.425 HH21 ' CG ' ' B' ' 16' ' ' ASP . 91.0 mtt180 -65.41 122.05 16.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.611 -0.268 . . . . 3.95 110.796 -175.472 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 85.89 -0.54 87.83 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 1.6 113.6 171.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' ILE . . . . . 0.524 HG22 ' H ' ' B' ' 73' ' ' SER . 50.4 mm -78.6 138.01 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.161 0.505 . . . . 1.65 110.335 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -54.64 -37.47 65.71 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.233 -0.894 . . . . 3.32 112.203 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' SER . . . . . 0.524 ' H ' HG22 ' B' ' 71' ' ' ILE . 31.9 t 76.97 -40.24 0.36 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.652 0.781 . . . . 4.63 112.239 175.216 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -73.77 -40.72 63.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.204 0.526 . . . . 3.06 110.442 -177.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -93.69 -15.11 25.61 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.751 -0.658 . . . . 3.51 111.059 178.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' TRP . . . . . 0.458 ' HB3' ' HB3' ' B' ' 112' ' ' LEU . 90.6 m95 -142.47 115.54 8.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.515 -0.311 . . . . 3.17 111.483 -175.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 77' ' ' ASN . . . . . 0.524 ' HB3' ' O ' ' B' ' 113' ' ' SER . 28.4 t-20 -86.21 136.97 32.98 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.082 -1.081 . . . . 2.7 108.082 170.43 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.743 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 2.9 m -110.64 144.06 40.13 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.963 0.411 . . . . 1.93 111.99 -170.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 79' ' ' TYR . . . . . 0.438 ' O ' HG22 ' B' ' 111' ' ' VAL . 78.1 t80 -148.16 134.96 20.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.781 -0.645 . . . . 3.73 109.588 174.635 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.61 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 72.4 m -88.19 129.82 35.23 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.046 0.451 . . . . 1.67 111.109 -178.322 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.459 ' O ' HG22 ' B' ' 109' ' ' VAL . 63.0 m -137.57 133.81 34.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.871 -0.604 . . . . 2.25 109.792 178.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.404 HG23 ' SG ' ' B' ' 58' ' ' CYS . 24.4 p -81.35 129.57 34.68 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.911 0.386 . . . . 2.78 111.158 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 6.9 t -86.34 140.43 30.06 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.872 -0.788 . . . . 2.69 108.872 174.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -123.81 145.73 48.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.024 0.44 . . . . 3.71 111.534 -170.076 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.605 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 11.5 t -128.19 174.0 9.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.515 -0.766 . . . . 1.48 109.455 178.565 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -117.82 116.89 27.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.012 0.435 . . . . 1.75 110.848 -179.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 21.0 m -114.52 139.76 38.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.642 -0.708 . . . . 1.08 109.968 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 88' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 62.4 pttt -87.57 116.03 25.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.505 0.669 . . . . 3.82 110.683 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -126.9 153.45 45.73 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.296 -0.865 . . . . 1.13 109.989 -178.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 90' ' ' LEU . . . . . 0.469 ' CD2' ' H ' ' B' ' 43' ' ' ASN . 21.2 tp -73.78 112.75 10.19 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.29 0.567 . . . . 1.45 110.019 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 49.1 p -114.59 159.94 19.86 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.298 -0.864 . . . . 1.15 109.748 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 92' ' ' THR . . . . . 0.506 ' HA ' ' O ' ' B' ' 96' ' ' GLN . 11.3 t -111.79 124.01 51.44 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.547 0.689 . . . . 1.32 111.108 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -106.59 98.03 7.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.275 -0.875 . . . . 2.46 108.714 176.09 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 68.6 -80.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.432 -0.804 . . . . 3.09 110.424 -176.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -127.99 -13.17 5.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.754 0.312 . . . . 3.3 110.833 177.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 96' ' ' GLN . . . . . 0.506 ' O ' ' HA ' ' B' ' 92' ' ' THR . 2.1 mp0 -85.51 156.06 20.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.398 -0.365 . . . . 2.74 110.587 -175.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -122.23 117.33 25.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.298 -0.41 . . . . 1.44 109.938 176.005 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.98 144.95 47.68 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.74 0.305 . . . . 1.39 111.325 -175.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -77.12 102.1 6.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.925 -0.58 . . . . 2.35 110.044 178.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 100' ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' B' ' 88' ' ' LYS . 23.1 mmm180 -109.15 146.07 34.71 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.908 0.385 . . . . 3.48 111.138 -177.348 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -83.53 111.46 19.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.522 -0.763 . . . . 1.98 110.073 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 36.2 pt -114.26 149.17 16.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.937 -0.574 . . . . 0.86 110.347 -178.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 103' ' ' ARG . . . . . 0.605 ' HA ' ' O ' ' B' ' 85' ' ' THR . 33.1 ptt180 -86.66 133.59 33.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.124 -0.489 . . . . 3.72 111.008 -177.051 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 40.7 pt -131.94 151.52 35.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.973 -0.558 . . . . 0.83 110.091 174.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 105' ' ' ASP . . . . . 0.584 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 35.6 m-20 -86.86 119.66 27.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.218 -0.447 . . . . 1.69 109.834 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 18.3 p -90.7 -39.15 12.6 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.629 -0.26 . . . . 2.29 111.67 -174.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -153.31 157.81 40.65 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.869 0.366 . . . . 1.15 111.094 -177.266 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 108' ' ' CYS . . . . . 0.61 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 41.2 t -104.73 110.56 22.94 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.227 -0.657 . . . . 1.56 109.227 176.583 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.459 HG22 ' O ' ' B' ' 81' ' ' THR . 16.5 m -97.94 153.05 4.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.302 -0.408 . . . . 1.08 110.268 -176.293 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.743 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 52.7 t -107.77 104.55 14.08 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.517 -0.549 . . . . 1.45 109.517 177.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.438 HG22 ' O ' ' B' ' 79' ' ' TYR . 28.6 m -78.22 134.93 27.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.923 -0.399 . . . . 1.52 109.923 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.458 ' HB3' ' HB3' ' B' ' 76' ' ' TRP . 72.9 mt -112.32 136.96 51.13 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.396 -0.365 . . . . 1.67 111.094 -177.587 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.524 ' O ' ' HB3' ' B' ' 77' ' ' ASN . 30.0 p 179.44 114.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.638 -0.71 . . . . 2.62 110.2 173.588 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 114' ' ' ARG . . . . . 0.422 ' O ' ' HD2' ' B' ' 114' ' ' ARG . 1.6 tmm_? . . . . . 0 C--N 1.321 -0.665 0 N-CA-C 108.188 -1.042 . . . . 6.72 108.188 167.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.965 0.412 . . . . 3.65 110.559 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.2 t -143.09 158.1 43.92 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.851 -0.613 . . . . 2.42 109.353 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.1 m -72.44 -8.38 11.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.814 -0.63 . . . . 1.41 110.832 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.8 t -138.73 138.55 37.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.745 -0.661 . . . . 1.75 109.785 176.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.14 115.8 3.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.926 -0.579 . . . . 2.87 111.032 -178.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.7 m -112.8 142.18 45.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.682 -0.69 . . . . 1.72 111.269 -175.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.519 ' O ' ' HA ' ' A' ' 56' ' ' THR . 4.1 p -118.27 115.34 47.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.303 -0.408 . . . . 1.51 110.795 176.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.1 m -91.98 116.07 28.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.271 -0.422 . . . . 1.66 110.638 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.6 t -119.95 138.42 50.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.19 -0.459 . . . . 1.03 110.79 -177.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -96.71 96.13 8.39 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.783 -0.821 . . . . 1.61 108.783 170.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.6 t -86.13 112.59 22.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.561 -0.745 . . . . 0.96 111.122 -172.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.6 12.32 30.29 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.055 -0.818 . . . . 1.27 111.055 174.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -124.82 30.7 5.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.078 0.466 . . . . 3.02 110.037 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.6 tttp -88.59 102.84 15.34 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.479 -0.563 . . . . 1.32 109.479 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.482 ' O ' ' HA ' ' A' ' 37' ' ' THR . 9.0 t -103.64 -5.94 22.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.574 -0.285 . . . . 1.82 111.46 -176.426 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.1 p -141.46 133.55 27.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.814 0.34 . . . . 1.01 111.152 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.59 170.03 20.66 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.268 -0.424 . . . . 0.79 110.695 176.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.443 ' HA ' ' O ' ' A' ' 34' ' ' LYS . 9.1 m -97.84 122.5 41.02 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.861 -0.608 . . . . 1.02 110.603 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.84 160.38 23.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.241 -0.891 . . . . 1.85 109.305 175.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.2 tt -58.97 -25.99 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.991 0.424 . . . . 1.33 111.185 -179.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -80.31 -9.63 59.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.339 -0.391 . . . . 2.22 111.391 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.17 13.28 39.74 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.725 -0.75 . . . . 1.25 112.554 178.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 29' ' ' THR . 75.6 mmtt -88.86 155.1 19.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.662 0.268 . . . . 2.14 110.577 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -101.49 115.45 30.55 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.07 -0.715 . . . . 2.19 109.07 175.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.6 m -126.2 158.31 35.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.171 0.51 . . . . 1.02 111.777 -173.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.482 ' HA ' ' O ' ' A' ' 26' ' ' THR . 44.7 m -83.63 112.08 19.7 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.062 -0.972 . . . . 1.04 110.63 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.406 ' HA ' HG22 ' A' ' 91' ' ' THR . 53.9 t -84.15 135.05 25.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.849 -0.614 . . . . 1.1 110.032 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 68.7 mt -103.51 118.67 37.27 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 115.985 -0.552 . . . . 1.91 109.726 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.96 -14.16 61.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.606 0.717 . . . . 2.18 109.73 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -105.53 114.32 28.42 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 114.63 -1.168 . . . . 3.59 108.233 174.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 49' ' ' PHE . 27.8 m -95.88 108.37 21.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.885 0.85 . . . . 2.4 111.419 -176.499 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -88.97 99.38 12.37 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.681 -1.145 . . . . 3.25 109.092 176.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.9 mt -85.69 -64.75 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 120.778 -0.369 . . . . 2.77 110.307 -178.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -163.72 87.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.64 0.734 . . . . 3.84 109.714 177.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.4 m120 59.78 40.34 19.67 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.174 -0.921 . . . . 4.76 110.306 -176.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.4 t -164.86 119.37 1.33 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.639 -0.71 . . . . 3.33 109.375 -178.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.5 t -111.84 133.2 58.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.249 -0.432 . . . . 2.37 110.723 -177.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.473 ' O ' HG22 ' A' ' 42' ' ' VAL . 96.2 m-85 -124.47 144.0 50.33 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.384 -0.371 . . . . 4.13 110.268 177.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -106.59 133.53 51.13 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.344 -0.389 . . . . 4.84 110.553 178.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.89 150.69 22.81 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.49 -0.559 . . . . 4.56 109.49 176.581 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -108.66 159.46 16.72 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.467 -0.333 . . . . 2.46 110.462 -171.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -99.29 133.52 43.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.264 -0.425 . . . . 1.16 110.858 -178.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -85.27 98.87 10.76 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.29 -0.414 . . . . 3.56 110.312 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -114.51 111.13 20.9 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.95 0.405 . . . . 1.49 110.598 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.519 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 91.3 m -99.14 107.28 19.61 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.125 -0.489 . . . . 1.07 109.764 174.662 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -103.45 168.74 8.97 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.918 -0.583 . . . . 2.48 111.028 -174.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 81.7 m -86.53 125.42 33.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.787 -0.642 . . . . 1.73 109.909 177.279 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.492 ' NE ' ' HB ' ' A' ' 18' ' ' VAL . 74.1 mtt180 -77.79 -10.65 59.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.128 0.489 . . . . 3.48 110.697 178.03 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -158.09 155.94 30.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.69 -0.686 . . . . 2.58 109.732 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.434 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 27.6 m -86.68 -28.95 22.83 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.352 -0.61 . . . . 2.76 109.352 174.289 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.4 ' HA ' ' HD2' ' A' ' 63' ' ' PRO . 7.3 m120 -142.19 94.88 6.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.007 -0.997 . . . . 2.59 109.112 175.401 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 62' ' ' ASN . 18.2 Cg_endo -58.56 -31.58 94.77 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.579 2.186 . . . . 2.57 112.302 -178.216 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.0 m -117.96 152.71 19.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.096 -0.705 . . . . 2.53 109.096 175.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -78.19 70.94 4.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.35 0.595 . . . . 4.19 110.658 -175.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.1 t 178.09 -39.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.812 -1.086 . . . . 3.9 109.039 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.452 ' CA ' ' HB2' ' A' ' 78' ' ' SER . . . 179.89 -111.23 0.31 Allowed Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.73 -0.668 . . . . 2.6 111.745 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 86.3 m -123.41 174.33 7.43 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.287 -0.264 . . . . 1.73 110.287 179.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 69' ' ' ARG . 54.9 mtt-85 -71.29 121.67 18.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.452 -0.34 . . . . 3.94 110.958 -175.259 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.24 -7.64 80.94 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.737 -0.744 . . . . 1.61 113.357 173.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.442 HG22 ' H ' ' A' ' 73' ' ' SER . 50.1 mm -76.78 135.32 26.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.893 0.378 . . . . 1.65 111.095 -178.376 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -48.61 -47.85 39.76 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.282 -0.872 . . . . 3.32 111.309 174.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.442 ' H ' HG22 ' A' ' 71' ' ' ILE . 16.7 t 70.83 -1.99 2.45 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.373 -0.831 . . . . 4.63 112.569 169.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -99.12 -40.73 7.85 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.192 0.52 . . . . 3.06 109.818 178.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -92.08 -1.76 57.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.829 -0.623 . . . . 3.51 110.226 177.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 19.6 m-90 -146.31 136.62 23.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.09 -0.505 . . . . 3.17 111.117 -177.003 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.443 ' H ' ' C ' ' A' ' 113' ' ' SER . 85.8 m-20 -88.36 141.03 28.87 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 107.319 -1.363 . . . . 2.69 107.319 164.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.664 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 6.0 m -117.9 142.79 46.94 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.858 0.361 . . . . 1.93 111.315 -173.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.434 ' CE2' ' HB3' ' A' ' 61' ' ' SER . 79.3 t80 -151.94 133.84 14.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.022 -0.536 . . . . 3.73 109.721 177.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 64.2 m -79.3 120.59 23.98 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.15 0.5 . . . . 1.67 110.614 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 38.3 m -125.29 132.43 52.9 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.747 -0.66 . . . . 2.24 109.622 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 107' ' ' ALA . 3.3 p -80.08 135.04 36.25 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.959 0.409 . . . . 2.78 111.444 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.9 m -76.38 124.05 26.93 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.323 -0.621 . . . . 2.69 109.323 176.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -97.94 115.74 28.75 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.347 -0.388 . . . . 3.71 110.163 -176.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.5 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 6.7 t -111.66 157.99 19.8 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.77 -0.826 . . . . 1.48 108.77 177.655 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.459 ' CE2' ' HB3' ' A' ' 103' ' ' ARG . 95.9 m-85 -107.28 116.92 32.78 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.901 0.381 . . . . 1.75 110.372 -175.578 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.2 m -112.19 154.96 13.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.981 -0.554 . . . . 1.08 111.459 -176.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -81.4 106.38 13.31 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.203 -0.908 . . . . 3.82 109.93 -178.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.18 145.81 50.91 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.83 0.348 . . . . 1.13 111.06 -178.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.9 tp -80.66 115.81 20.36 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.767 -0.827 . . . . 1.45 108.767 175.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.406 HG22 ' HA ' ' A' ' 38' ' ' VAL . 68.9 p -125.29 149.14 48.34 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.522 -0.308 . . . . 1.14 110.93 -175.693 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.9 t -120.26 111.65 18.06 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.475 0.655 . . . . 1.32 109.87 175.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -72.73 -37.88 67.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.627 -0.715 . . . . 2.47 110.213 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -135.21 -79.98 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 3.09 110.768 177.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -125.45 -7.98 6.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.565 -0.289 . . . . 3.29 111.774 -176.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -114.62 127.49 55.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.989 0.423 . . . . 2.74 110.969 -175.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -87.06 123.84 32.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.79 -0.641 . . . . 1.44 110.369 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -138.1 146.8 43.32 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.25 -0.432 . . . . 1.38 110.506 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 86.0 m95 -74.6 119.24 18.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.013 -0.54 . . . . 2.35 110.569 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -129.75 169.92 14.51 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.664 -0.698 . . . . 3.48 109.961 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -98.9 118.47 35.73 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.658 -0.701 . . . . 1.98 109.905 174.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 36.8 pt -113.82 144.17 21.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.42 -0.355 . . . . 0.86 110.174 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.5 ' HA ' ' O ' ' A' ' 85' ' ' THR . 38.1 ptt180 -85.01 120.93 27.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.924 -0.58 . . . . 3.71 110.445 -178.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 49.3 pt -113.86 153.03 15.46 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.98 -0.555 . . . . 0.83 110.146 176.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -82.02 93.08 6.9 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.586 -0.894 . . . . 1.69 108.586 178.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.4 t -92.96 -16.23 25.35 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.371 0.508 . . . . 2.29 112.371 -168.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -155.51 164.05 39.19 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.526 -0.176 . . . . 1.14 110.526 -177.682 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 42.4 t -124.89 115.94 21.42 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.916 -0.402 . . . . 1.56 109.916 177.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 19.3 m -117.07 167.02 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.054 -0.521 . . . . 1.07 109.947 -178.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.664 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 48.0 t -114.47 119.65 37.59 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.759 -0.459 . . . . 1.45 109.759 176.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 78' ' ' SER . 12.1 m -84.47 146.22 7.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.983 -0.553 . . . . 1.52 109.569 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.7 mt -124.16 136.41 54.17 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.748 -0.381 . . . . 1.67 110.667 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.443 ' C ' ' H ' ' A' ' 77' ' ' ASN . 46.2 t -179.09 109.62 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.0 -0.545 . . . . 2.62 110.993 174.399 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 . . . . . 0 C--N 1.321 -0.642 0 N-CA-C 108.841 -0.8 . . . . 6.73 108.841 164.841 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 . . . . . 0 CA--C 1.517 -0.292 0 CA-C-O 121.038 0.447 . . . . 3.65 110.514 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 37.8 t -143.31 157.9 44.09 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.678 -0.692 . . . . 2.42 109.36 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 27.9 m -72.21 -8.27 11.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.782 -0.645 . . . . 1.41 110.944 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 48.9 t -138.78 138.51 37.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.7 -0.682 . . . . 1.75 109.85 176.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.14 115.8 3.43 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.981 -0.554 . . . . 2.87 111.167 -178.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 19.6 m -112.97 142.31 45.8 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.752 -0.658 . . . . 1.72 111.095 -174.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' B' ' 56' ' ' THR . 3.9 p -118.31 115.59 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.18 -0.464 . . . . 1.51 110.865 176.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 49.7 m -92.32 115.99 28.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.437 -0.347 . . . . 1.66 110.63 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 46.3 t -119.67 138.46 50.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.293 -0.412 . . . . 1.03 110.839 -177.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -96.69 96.3 8.52 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.716 -0.846 . . . . 1.61 108.716 170.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 21.7 t -86.23 112.64 22.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.717 -0.674 . . . . 0.96 111.19 -172.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.55 12.4 30.43 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.905 -0.878 . . . . 1.27 110.905 174.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -125.05 30.75 5.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.11 0.481 . . . . 3.01 110.151 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 40.8 tttp -88.54 102.26 14.75 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.058 -0.519 . . . . 1.32 109.612 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.479 ' O ' ' HA ' ' B' ' 37' ' ' THR . 8.8 t -103.05 -5.63 23.14 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.468 -0.333 . . . . 1.82 111.539 -176.475 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.1 p -141.95 133.91 27.37 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.714 0.292 . . . . 1.0 110.978 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.78 170.3 20.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.137 -0.483 . . . . 0.79 110.546 176.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' B' ' 34' ' ' LYS . 9.4 m -98.2 122.46 41.38 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.795 -0.639 . . . . 1.01 110.698 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -66.0 160.48 23.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.245 -0.889 . . . . 1.84 109.373 175.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 13.3 tt -58.56 -26.64 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.954 0.407 . . . . 1.33 111.16 -179.199 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -79.76 -10.27 59.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.273 -0.421 . . . . 2.22 111.254 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.84 12.95 38.77 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.711 -0.756 . . . . 1.25 112.618 178.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.447 ' O ' ' HA ' ' B' ' 29' ' ' THR . 75.7 mmtt -88.56 155.36 19.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.732 0.301 . . . . 2.14 110.578 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -101.57 115.36 30.33 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.156 -0.683 . . . . 2.19 109.156 175.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 29.5 m -126.17 158.17 35.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.144 0.497 . . . . 1.01 111.679 -173.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' THR . . . . . 0.479 ' HA ' ' O ' ' B' ' 26' ' ' THR . 40.3 m -83.43 112.06 19.6 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.094 -0.957 . . . . 1.04 110.621 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.403 ' HA ' HG22 ' B' ' 91' ' ' THR . 54.3 t -84.06 135.01 25.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.868 -0.605 . . . . 1.1 109.945 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 68.5 mt -103.46 119.03 38.09 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.106 -0.497 . . . . 1.91 109.717 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.52 -13.68 60.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.69 0.757 . . . . 2.18 109.784 177.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -105.73 114.23 28.26 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 114.627 -1.17 . . . . 3.59 108.154 174.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.461 HG22 ' O ' ' B' ' 49' ' ' PHE . 27.8 m -95.86 108.36 21.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.874 0.845 . . . . 2.39 111.485 -176.555 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -88.93 99.46 12.42 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.755 -1.111 . . . . 3.25 109.049 176.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 63.1 mt -85.83 -64.88 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.867 0.365 . . . . 2.77 110.251 -178.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -163.46 87.4 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.846 -0.616 . . . . 3.84 109.726 177.172 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 19.7 m120 59.72 40.58 19.62 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.313 -0.858 . . . . 4.76 110.439 -176.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 15.6 t -165.23 118.45 1.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.592 -0.731 . . . . 3.33 109.372 -178.366 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 40.2 t -111.02 133.66 55.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.092 -0.504 . . . . 2.38 110.567 -178.038 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 49' ' ' PHE . . . . . 0.461 ' O ' HG22 ' B' ' 42' ' ' VAL . 96.2 m-85 -124.72 144.28 50.31 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.339 -0.391 . . . . 4.13 110.249 177.599 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -106.6 133.8 50.73 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.354 -0.384 . . . . 4.84 110.637 177.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.22 150.93 22.4 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.565 -0.532 . . . . 4.56 109.565 176.51 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -108.9 159.8 16.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.488 -0.324 . . . . 2.45 110.54 -171.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -99.56 133.45 43.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.302 -0.408 . . . . 1.16 110.791 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -85.22 98.87 10.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.404 -0.362 . . . . 3.56 110.289 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -114.49 111.17 20.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.991 0.424 . . . . 1.49 110.741 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.522 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 90.3 m -99.14 107.55 19.94 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.078 -0.51 . . . . 1.07 109.627 174.74 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -103.68 168.83 8.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.926 -0.579 . . . . 2.48 111.033 -174.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 80.4 m -86.74 125.43 33.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.712 -0.676 . . . . 1.73 109.985 177.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' ARG . . . . . 0.493 ' NE ' ' HB ' ' B' ' 18' ' ' VAL . 74.0 mtt180 -77.52 -11.23 59.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.032 0.444 . . . . 3.49 110.628 178.229 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -157.66 156.09 31.15 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.691 -0.686 . . . . 2.58 109.756 178.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' SER . . . . . 0.432 ' HB3' ' CE2' ' B' ' 79' ' ' TYR . 25.3 m -86.78 -28.66 22.85 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.39 -0.596 . . . . 2.76 109.39 174.262 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' ASN . . . . . 0.403 ' HA ' ' HD2' ' B' ' 63' ' ' PRO . 7.3 m120 -142.55 94.93 6.6 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.024 -0.989 . . . . 2.59 109.096 175.396 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 63' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' B' ' 62' ' ' ASN . 17.7 Cg_endo -58.46 -31.97 95.33 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.501 2.134 . . . . 2.57 112.162 -178.128 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 28.7 m -117.4 152.84 19.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.777 -0.647 . . . . 2.53 109.336 175.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -78.52 71.37 4.98 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.44 0.638 . . . . 4.2 110.573 -175.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 21.4 t 177.86 -40.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.634 -1.166 . . . . 3.9 108.995 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.455 ' CA ' ' HB2' ' B' ' 78' ' ' SER . . . 179.91 -111.39 0.31 Allowed Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.668 -0.697 . . . . 2.6 111.772 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 86.0 m -123.23 174.71 7.11 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.336 -0.246 . . . . 1.74 110.336 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 54.8 mtt180 -71.56 122.14 19.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.413 -0.358 . . . . 3.95 110.872 -175.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.94 -7.96 79.58 Favored Glycine 0 CA--C 1.517 0.18 0 C-N-CA 120.878 -0.677 . . . . 1.6 113.47 173.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' ILE . . . . . 0.44 HG22 ' H ' ' B' ' 73' ' ' SER . 50.3 mm -76.74 135.06 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.054 0.454 . . . . 1.65 111.06 -178.151 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -48.41 -47.82 37.51 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.112 -0.949 . . . . 3.32 111.401 174.017 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' SER . . . . . 0.44 ' H ' HG22 ' B' ' 71' ' ' ILE . 16.3 t 70.83 -2.12 2.4 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.397 -0.819 . . . . 4.63 112.672 169.685 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -99.06 -40.79 7.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.174 0.511 . . . . 3.06 109.735 178.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -91.89 -2.2 56.94 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.799 -0.637 . . . . 3.51 110.232 177.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . 19.7 m-90 -146.04 136.47 23.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 3.17 111.165 -176.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 77' ' ' ASN . . . . . 0.448 ' H ' ' C ' ' B' ' 113' ' ' SER . 86.0 m-20 -88.19 140.95 28.96 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.253 -1.388 . . . . 2.7 107.253 164.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.665 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 5.9 m -117.75 143.05 46.59 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.799 0.333 . . . . 1.93 111.262 -173.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 79' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' B' ' 61' ' ' SER . 78.9 t80 -152.02 134.0 14.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.072 -0.513 . . . . 3.73 109.732 177.621 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 64.1 m -79.64 120.44 23.97 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.007 0.432 . . . . 1.67 110.572 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 37.4 m -125.18 132.93 52.95 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.782 -0.645 . . . . 2.25 109.553 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' B' ' 107' ' ' ALA . 3.1 p -80.62 135.03 35.98 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.119 0.485 . . . . 2.78 111.289 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 7.0 m -76.26 123.95 26.72 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 109.346 -0.613 . . . . 2.69 109.346 176.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -97.95 116.01 29.31 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.245 -0.434 . . . . 3.71 110.08 -176.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.507 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 6.8 t -111.96 157.92 20.12 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.855 -0.794 . . . . 1.48 108.855 177.665 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.453 ' CE2' ' HB3' ' B' ' 103' ' ' ARG . 96.3 m-85 -107.21 116.73 32.45 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.911 0.386 . . . . 1.75 110.437 -175.536 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 22.8 m -112.04 155.02 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.932 -0.576 . . . . 1.08 111.368 -176.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -81.62 106.48 13.6 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.139 -0.937 . . . . 3.82 109.815 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.24 145.63 50.98 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.41 -0.359 . . . . 1.13 111.022 -178.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 25.0 tp -80.4 115.78 20.12 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.81 -0.811 . . . . 1.45 108.81 175.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 91' ' ' THR . . . . . 0.403 HG22 ' HA ' ' B' ' 38' ' ' VAL . 70.8 p -125.38 148.95 48.57 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 120.678 0.275 . . . . 1.15 110.875 -175.701 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 92' ' ' THR . . . . . 0.402 HG23 ' HB ' ' B' ' 37' ' ' THR . 5.0 t -120.13 111.83 18.35 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.282 0.563 . . . . 1.32 109.794 175.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -72.92 -37.85 67.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.625 -0.716 . . . . 2.46 110.196 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -134.9 -80.19 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.173 -0.467 . . . . 3.09 110.868 177.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -125.39 -8.04 6.95 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.807 0.299 . . . . 3.3 111.807 -176.056 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -114.65 127.21 55.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.976 0.417 . . . . 2.74 110.961 -175.159 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.84 124.26 32.88 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.887 -0.597 . . . . 1.44 110.341 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -138.26 146.97 43.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.265 -0.425 . . . . 1.39 110.423 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -74.91 118.91 18.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.06 -0.518 . . . . 2.35 110.626 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 100' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' B' ' 100' ' ' ARG . 24.1 mmt180 -129.48 169.54 14.84 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.773 -0.649 . . . . 3.48 109.997 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -98.54 118.46 35.28 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.736 -0.665 . . . . 1.98 110.017 174.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 37.1 pt -113.88 144.14 22.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.883 0.373 . . . . 0.86 110.175 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 103' ' ' ARG . . . . . 0.507 ' HA ' ' O ' ' B' ' 85' ' ' THR . 37.9 ptt180 -85.04 120.7 26.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.936 -0.575 . . . . 3.72 110.364 -178.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 48.9 pt -113.72 152.89 15.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 116.038 -0.528 . . . . 0.83 110.129 176.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -81.7 93.13 6.72 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.656 -0.868 . . . . 1.69 108.656 177.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 10.3 t -92.9 -16.41 25.24 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.317 0.488 . . . . 2.29 112.317 -168.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 107' ' ' ALA . . . . . 0.42 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -155.44 163.99 39.3 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.542 -0.17 . . . . 1.15 110.542 -177.649 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 42.0 t -124.78 116.02 21.63 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.897 -0.408 . . . . 1.56 109.897 177.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 19.3 m -117.1 167.18 10.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.121 -0.49 . . . . 1.08 109.963 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.665 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 47.1 t -114.63 119.78 37.91 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.715 -0.476 . . . . 1.45 109.715 176.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' B' ' 78' ' ' SER . 11.9 m -84.45 146.36 6.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.935 -0.575 . . . . 1.52 109.519 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 83.0 mt -124.36 136.31 53.99 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.769 -0.372 . . . . 1.67 110.579 -179.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.448 ' C ' ' H ' ' B' ' 77' ' ' ASN . 48.4 t -179.06 109.71 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.06 -0.518 . . . . 2.62 111.054 174.31 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 . . . . . 0 C--N 1.322 -0.614 0 N-CA-C 108.881 -0.785 . . . . 6.72 108.881 164.895 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.478 ' HB2' ' HB ' ' B' ' 111' ' ' VAL . 23.6 m-85 . . . . . 0 CA--C 1.52 -0.183 0 CA-C-O 120.746 0.307 . . . . 3.65 110.425 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.2 t -150.3 147.21 27.36 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.451 -0.574 . . . . 2.42 109.451 176.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.433 HG12 HD11 ' B' ' 112' ' ' LEU . 34.5 m -69.58 -14.41 18.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.015 -0.539 . . . . 1.41 110.628 177.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.2 m -113.89 136.73 52.57 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.112 -0.949 . . . . 1.75 110.115 177.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.465 ' HB2' ' HB3' ' A' ' 60' ' ' ALA . 14.8 m-20 -65.6 114.15 4.73 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.347 -0.612 . . . . 2.87 109.347 176.456 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.5 m -118.02 135.27 54.27 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.582 -0.735 . . . . 1.72 110.502 -173.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.7 p -116.76 114.77 46.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 116.178 -0.465 . . . . 1.51 110.143 177.091 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.417 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 57.6 m -96.3 119.63 35.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.178 -0.465 . . . . 1.66 110.212 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.6 t -119.54 137.8 52.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.922 -0.581 . . . . 1.03 110.267 -178.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 87.8 m95 -99.04 95.45 7.14 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.466 -0.939 . . . . 1.61 108.466 171.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.518 ' HB ' ' HB2' ' A' ' 53' ' ' PHE . 41.7 t -79.17 135.66 25.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 116.042 -0.526 . . . . 0.96 109.831 -176.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -100.82 -7.67 50.16 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.554 -0.831 . . . . 1.27 112.688 -177.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.48 ' H ' HG12 ' A' ' 22' ' ' VAL . 27.2 t70 -148.55 105.12 3.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.085 0.469 . . . . 3.02 111.023 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.591 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 87.9 tttt -128.33 100.87 5.98 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.635 -0.876 . . . . 1.32 108.635 174.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 37' ' ' THR . 8.9 t -81.18 -13.32 58.71 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.797 0.666 . . . . 1.82 112.797 -168.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -143.11 136.3 28.13 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 122.234 -0.291 . . . . 1.01 111.122 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -148.14 170.2 18.35 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.005 -0.543 . . . . 0.79 110.309 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.465 ' HB ' ' HG2' ' A' ' 103' ' ' ARG . 14.4 m -103.01 120.47 40.69 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.241 -0.436 . . . . 1.02 110.37 179.266 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.437 ' OD1' ' HB3' ' A' ' 100' ' ' ARG . 12.6 t70 -67.88 159.58 30.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.959 -0.564 . . . . 1.85 109.592 176.368 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.3 tt -55.34 -27.49 20.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.962 0.41 . . . . 1.33 111.704 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -78.87 -11.65 60.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.761 0.315 . . . . 2.22 111.055 -178.31 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.5 25.44 10.9 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.905 -0.664 . . . . 1.25 112.372 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -102.42 144.05 31.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.7 0.286 . . . . 2.14 110.843 -179.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -87.8 115.38 25.21 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.069 -0.715 . . . . 2.19 109.069 174.684 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.9 m -123.05 149.3 26.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 120.951 0.405 . . . . 1.02 111.714 -175.33 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 26' ' ' THR . 22.4 m -82.77 109.45 16.93 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.333 -0.849 . . . . 1.04 109.743 177.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.591 ' HB ' ' O ' ' A' ' 25' ' ' LYS . 48.5 t -88.57 134.96 26.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.92 -0.582 . . . . 1.1 110.753 -175.722 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 41.7 mt -103.06 119.76 39.43 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.948 -0.569 . . . . 1.91 109.558 178.303 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.91 -22.03 63.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.264 0.554 . . . . 2.18 110.287 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.429 ' OE1' ' HB3' ' A' ' 50' ' ' ARG . 11.6 mm-40 -105.29 115.55 30.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.914 -1.039 . . . . 3.59 108.524 176.154 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.51 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 20.3 m -101.87 127.99 54.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 C-N-CA 120.638 -0.425 . . . . 2.4 110.494 -178.138 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -102.98 117.31 34.31 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.531 0.682 . . . . 3.25 110.592 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 52.4 mt -118.06 88.31 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.554 -0.748 . . . . 2.77 109.243 175.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 64.23 53.97 1.68 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.85 -0.614 . . . . 3.84 110.036 -178.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.2 m120 73.44 -12.12 0.85 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.055 -0.975 . . . . 4.76 112.115 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.5 m -84.49 113.89 21.54 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.079 -0.712 . . . . 3.33 109.079 175.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.51 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 41.9 t -112.84 130.06 67.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.106 -0.497 . . . . 2.37 110.715 -175.477 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.431 ' O ' HG22 ' A' ' 42' ' ' VAL . 49.8 p90 -139.04 154.22 48.19 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.0 -0.741 . . . . 4.13 109.0 172.416 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.429 ' HB3' ' OE1' ' A' ' 41' ' ' GLU . 35.7 ptt180 -97.1 153.58 17.87 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.209 0.528 . . . . 4.84 111.355 -173.625 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -117.68 158.25 25.03 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.562 -0.745 . . . . 4.56 109.908 176.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -117.51 138.3 51.98 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.313 -0.625 . . . . 2.46 109.313 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.518 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 28.5 m-85 -98.7 109.4 22.16 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.847 -0.427 . . . . 1.16 109.847 -179.257 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -84.24 99.08 10.33 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.09 -0.504 . . . . 3.56 109.955 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 23.8 mt-10 -112.58 112.09 23.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.093 -0.503 . . . . 1.49 110.642 -178.326 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.417 ' HA ' ' HA ' ' A' ' 19' ' ' SER . 46.4 m -99.42 108.74 21.29 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.175 -0.676 . . . . 1.07 109.175 174.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -110.26 152.23 26.39 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.285 0.564 . . . . 2.48 111.505 -171.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 51.4 m -83.56 93.26 7.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.198 -0.91 . . . . 1.73 109.64 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -70.19 -22.6 62.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.004 0.43 . . . . 3.48 110.303 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.465 ' HB3' ' HB2' ' A' ' 16' ' ' ASP . . . -134.25 103.01 5.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.74 -0.664 . . . . 2.58 109.552 173.466 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.433 ' HA ' ' HB2' ' A' ' 80' ' ' CYS . 26.2 t -74.39 -26.72 60.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.04 0.448 . . . . 2.76 109.976 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -132.85 82.37 55.73 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.813 -0.63 . . . . 2.59 109.54 175.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.427 ' HG2' ' HA ' ' A' ' 68' ' ' CYS . 11.2 Cg_endo -56.51 -33.7 93.18 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.476 2.117 . . . . 2.57 112.291 178.53 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.2 m -109.78 -177.3 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.383 0 C-N-CA 121.066 -0.253 . . . . 2.53 110.579 176.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -49.88 -41.81 46.45 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 113.089 0.774 . . . . 4.19 113.089 -173.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.2 m -150.05 53.13 0.91 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 121.966 -0.459 . . . . 3.9 111.903 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.404 ' HA3' ' HB3' ' A' ' 78' ' ' SER . . . 150.82 -150.21 22.17 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 119.751 -1.214 . . . . 2.6 113.147 174.616 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.427 ' HA ' ' HG2' ' A' ' 63' ' ' PRO . 36.1 m -94.01 166.02 12.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.689 0.281 . . . . 1.73 110.617 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -69.78 122.2 18.74 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.407 -0.36 . . . . 3.94 110.745 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 103.26 -25.93 25.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.034 -0.603 . . . . 1.61 112.266 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 51.2 mm -74.19 135.76 26.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.854 0.359 . . . . 1.65 111.378 -176.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -86.24 105.63 16.75 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.456 -0.572 . . . . 3.32 109.456 176.458 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.492 ' HA ' ' O ' ' A' ' 76' ' ' TRP . 30.2 m -60.81 -21.99 63.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.038 -0.528 . . . . 4.63 111.841 -176.464 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -76.17 -28.59 57.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.526 -0.307 . . . . 3.06 111.134 178.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.526 ' O ' ' HB3' ' A' ' 114' ' ' ARG . 19.4 m-70 -95.99 -26.47 15.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.468 -0.333 . . . . 3.51 110.946 179.525 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.492 ' O ' ' HA ' ' A' ' 73' ' ' SER . 93.5 m95 -143.31 128.27 18.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 3.17 110.874 -179.133 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.404 ' HB3' ' O ' ' A' ' 113' ' ' SER . 23.4 t-20 -81.58 134.16 35.47 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 106.489 -1.671 . . . . 2.69 106.489 167.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.404 ' HB3' ' HA3' ' A' ' 67' ' ' GLY . 46.8 t -139.98 148.26 41.64 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.209 -0.596 . . . . 1.93 112.369 -165.164 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.553 ' O ' HG22 ' A' ' 111' ' ' VAL . 38.8 p90 -165.37 160.28 17.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.995 -1.002 . . . . 3.73 108.63 172.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.433 ' HB2' ' HA ' ' A' ' 61' ' ' SER . 33.5 m -99.81 133.19 44.52 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.456 -0.338 . . . . 1.67 110.798 -177.343 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.8 t -131.84 147.51 52.49 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.847 -0.615 . . . . 2.24 109.584 -178.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.3 p -84.5 144.46 28.7 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.12 0.486 . . . . 2.78 111.969 -176.482 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 17.2 m -97.79 128.16 44.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.829 -0.623 . . . . 2.69 109.574 175.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 18.1 p-80 -104.11 135.69 45.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.914 0.388 . . . . 3.71 111.086 -176.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.589 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 13.9 t -116.06 171.28 7.9 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.707 -0.849 . . . . 1.48 108.707 175.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.404 ' HA ' ' O ' ' A' ' 102' ' ' ILE . 88.9 m-85 -117.47 116.99 28.24 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.992 0.425 . . . . 1.75 110.942 -174.699 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.1 m -111.66 149.37 14.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.803 -0.635 . . . . 1.08 111.11 -177.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -75.61 114.9 14.72 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.769 -0.65 . . . . 3.82 110.445 179.088 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.89 146.68 50.55 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.175 -0.466 . . . . 1.13 110.446 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 28.9 tp -82.13 109.18 16.2 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.464 -0.939 . . . . 1.45 108.464 175.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 76.9 p -115.84 162.34 17.46 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 116.107 -0.497 . . . . 1.14 111.062 -175.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.9 t -136.32 137.71 40.93 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 109.617 -0.512 . . . . 1.32 109.617 175.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -103.69 -10.5 18.31 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.881 0.372 . . . . 2.47 110.332 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.524 ' HG3' ' H ' ' A' ' 95' ' ' LYS . 7.0 pt-20 -162.26 -58.81 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.934 -0.576 . . . . 3.09 110.905 176.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.524 ' H ' ' HG3' ' A' ' 94' ' ' GLU . 99.7 mttt -145.6 -54.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.771 0.319 . . . . 3.29 110.97 -177.525 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 30.1 tp60 -68.55 112.33 5.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.303 -0.408 . . . . 2.74 111.071 -178.286 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.88 137.49 43.74 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.947 -0.57 . . . . 1.44 110.2 177.112 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.76 151.25 37.66 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.25 -0.432 . . . . 1.38 110.542 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -81.87 121.6 26.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.169 -0.469 . . . . 2.35 111.058 -178.186 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.437 ' HB3' ' OD1' ' A' ' 30' ' ' ASP . 24.9 mmt180 -128.33 176.54 7.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.849 -0.614 . . . . 3.48 110.318 179.128 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -113.94 112.79 23.9 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.234 -0.654 . . . . 1.98 109.234 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 42.6 pt -113.2 146.82 17.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.134 0.492 . . . . 0.86 111.007 -174.605 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.589 ' HA ' ' O ' ' A' ' 85' ' ' THR . 12.5 ptm180 -78.45 131.23 36.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.505 -0.771 . . . . 3.71 111.16 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 44.5 pt -127.37 136.01 61.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.686 -0.688 . . . . 0.83 109.252 168.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.47 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 10.1 m-20 -75.67 105.78 6.89 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.278 -0.638 . . . . 1.69 109.278 178.312 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.0 t -103.84 -8.82 19.46 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.778 -0.646 . . . . 2.29 112.13 -167.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -156.92 164.39 38.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.585 0.231 . . . . 1.14 111.135 -178.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 46.9 t -126.95 120.52 29.31 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.448 -0.575 . . . . 1.56 109.448 178.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 25.2 m -117.62 160.57 17.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.832 0.349 . . . . 1.07 111.065 -175.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 41.7 t -106.42 122.2 45.8 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.972 -0.558 . . . . 1.45 110.542 -178.058 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.553 HG22 ' O ' ' A' ' 79' ' ' TYR . 14.7 m -94.69 148.39 5.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 C-N-CA 121.117 -0.233 . . . . 1.52 110.629 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.417 HD11 HG12 ' B' ' 14' ' ' VAL . 67.8 mt -128.07 136.7 51.57 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.864 -0.421 . . . . 1.67 109.864 176.291 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 77' ' ' ASN . 11.6 p -177.01 87.54 0.03 OUTLIER 'General case' 0 C--O 1.219 -0.5 0 N-CA-C 112.182 0.438 . . . . 2.62 112.182 175.589 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.526 ' HB3' ' O ' ' A' ' 75' ' ' HIS . 6.9 tpm_? . . . . . 0 C--N 1.324 -0.525 0 O-C-N 121.009 -1.057 . . . . 6.73 109.924 162.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' PHE . . . . . 0.494 ' HB2' ' HB ' ' A' ' 111' ' ' VAL . 23.6 m-85 . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 120.797 0.332 . . . . 3.65 110.438 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 37.2 t -150.51 146.81 26.84 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.443 -0.576 . . . . 2.42 109.443 176.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.417 HG12 HD11 ' A' ' 112' ' ' LEU . 34.6 m -69.03 -14.89 19.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 115.95 -0.568 . . . . 1.41 110.502 178.085 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 81.8 m -113.18 136.77 52.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.266 -0.879 . . . . 1.75 110.116 177.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' ASP . . . . . 0.487 ' HB2' ' HB3' ' B' ' 60' ' ' ALA . 14.3 m-20 -65.77 113.82 4.59 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 109.314 -0.624 . . . . 2.87 109.314 176.222 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 19.2 m -117.54 135.95 53.59 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.543 -0.753 . . . . 1.72 110.449 -174.051 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 3.7 p -117.42 114.8 46.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.092 0.473 . . . . 1.51 110.132 176.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.408 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 61.4 m -96.03 119.62 34.85 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.147 -0.478 . . . . 1.66 110.228 179.242 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 59.9 t -119.37 137.84 52.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 116.041 -0.527 . . . . 1.03 110.314 -178.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 87.4 m95 -99.22 95.59 7.18 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.477 -0.935 . . . . 1.61 108.477 171.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' VAL . . . . . 0.496 ' HB ' ' HB2' ' B' ' 53' ' ' PHE . 41.8 t -79.09 135.56 25.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.855 -0.611 . . . . 0.96 109.827 -176.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -100.75 -7.61 50.45 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.544 -0.836 . . . . 1.27 112.597 -177.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.475 ' H ' HG12 ' B' ' 22' ' ' VAL . 24.3 t70 -148.68 105.52 3.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.898 0.38 . . . . 3.01 111.096 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.571 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 88.1 tttt -128.72 100.87 5.88 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.641 -0.874 . . . . 1.32 108.641 174.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.425 ' O ' ' HA ' ' B' ' 37' ' ' THR . 9.3 t -81.3 -13.3 58.58 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.713 0.634 . . . . 1.82 112.713 -168.456 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.2 p -143.07 135.94 27.83 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.769 0.318 . . . . 1.0 111.157 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.83 169.76 19.1 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.974 -0.557 . . . . 0.79 110.344 177.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' THR . . . . . 0.454 ' HB ' ' HG2' ' B' ' 103' ' ' ARG . 12.9 m -102.46 120.23 40.16 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.152 -0.476 . . . . 1.01 110.496 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' ASP . . . . . 0.437 ' OD1' ' HB3' ' B' ' 100' ' ' ARG . 12.7 t70 -67.73 159.82 29.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.88 -0.6 . . . . 1.84 109.66 176.669 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 11.3 tt -55.26 -28.27 21.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.883 0.373 . . . . 1.33 111.513 -179.1 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -78.46 -11.61 59.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.322 -0.399 . . . . 2.22 110.996 -177.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.45 25.61 10.78 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.823 -0.703 . . . . 1.25 112.217 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -102.44 143.65 31.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.553 0.216 . . . . 2.14 110.853 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -87.25 115.53 24.71 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.035 -0.728 . . . . 2.19 109.035 174.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 18.4 m -123.12 149.19 26.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 120.916 0.388 . . . . 1.01 111.657 -175.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' B' ' 26' ' ' THR . 21.0 m -82.62 109.74 17.07 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.393 -0.822 . . . . 1.04 109.635 177.738 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.571 ' HB ' ' O ' ' B' ' 25' ' ' LYS . 48.6 t -88.77 135.04 26.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.939 -0.573 . . . . 1.1 110.734 -175.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 42.5 mt -103.27 119.68 39.33 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.525 -0.546 . . . . 1.91 109.525 178.316 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.0 -21.85 63.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.225 0.536 . . . . 2.18 110.218 179.193 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.425 ' OE1' ' HB3' ' B' ' 50' ' ' ARG . 10.9 mm-40 -105.14 115.44 30.27 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.935 -1.029 . . . . 3.59 108.535 176.035 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.507 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 20.1 m -102.01 128.08 54.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 120.529 -0.469 . . . . 2.39 110.453 -178.242 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -102.92 117.42 34.57 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.424 0.63 . . . . 3.25 110.612 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 52.2 mt -118.11 88.68 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.638 -0.71 . . . . 2.77 109.159 175.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 63.96 54.03 1.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.697 -0.683 . . . . 3.84 110.033 -178.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 15.4 m120 73.48 -12.29 0.84 Allowed 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 114.993 -1.003 . . . . 4.76 112.254 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 30.2 m -84.25 113.8 21.37 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.028 -0.73 . . . . 3.33 109.028 175.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.507 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 41.7 t -112.96 129.38 68.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.105 -0.498 . . . . 2.38 110.857 -175.521 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 49' ' ' PHE . . . . . 0.422 ' O ' HG22 ' B' ' 42' ' ' VAL . 49.8 p90 -138.54 154.36 48.75 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.019 -0.734 . . . . 4.13 109.019 172.494 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.425 ' HB3' ' OE1' ' B' ' 41' ' ' GLU . 35.2 ptt180 -97.45 153.33 18.19 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.107 0.48 . . . . 4.84 111.319 -173.453 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -117.32 158.11 24.96 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.644 -0.707 . . . . 4.56 109.96 176.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -117.48 138.4 51.89 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.28 -0.637 . . . . 2.45 109.28 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' PHE . . . . . 0.496 ' HB2' ' HB ' ' B' ' 22' ' ' VAL . 28.4 m-85 -98.83 109.48 22.23 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.883 -0.414 . . . . 1.16 109.883 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -84.2 99.13 10.33 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.971 -0.559 . . . . 3.56 109.962 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' GLU . . . . . 0.464 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 23.8 mt-10 -112.69 112.29 23.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.134 -0.485 . . . . 1.49 110.608 -178.303 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.408 ' HA ' ' HA ' ' B' ' 19' ' ' SER . 48.5 m -99.61 108.66 21.11 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.095 -0.706 . . . . 1.07 109.095 175.032 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -110.2 152.35 26.19 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.031 -0.531 . . . . 2.48 111.462 -171.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 45.7 m -83.55 93.11 7.77 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.283 -0.872 . . . . 1.73 109.578 178.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -69.87 -23.28 63.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.175 0.512 . . . . 3.49 110.28 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' ALA . . . . . 0.487 ' HB3' ' HB2' ' B' ' 16' ' ' ASP . . . -133.77 102.98 5.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.761 -0.654 . . . . 2.58 109.577 173.689 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 61' ' ' SER . . . . . 0.456 ' HA ' ' HB2' ' B' ' 80' ' ' CYS . 26.1 t -74.54 -26.53 60.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.214 0.531 . . . . 2.76 110.06 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -132.92 82.32 55.53 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.722 -0.672 . . . . 2.59 109.709 175.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' PRO . . . . . 0.432 ' HG2' ' HA ' ' B' ' 68' ' ' CYS . 11.3 Cg_endo -56.44 -33.68 92.74 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.507 2.138 . . . . 2.57 112.315 178.76 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 35.4 m -109.86 -177.9 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.705 -0.225 . . . . 2.53 110.554 176.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -49.44 -41.73 40.83 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.244 0.831 . . . . 4.2 113.244 -173.067 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 48.8 m -149.99 53.1 0.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 O-C-N 122.061 -0.399 . . . . 3.9 111.877 -177.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.93 -150.04 21.95 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 119.852 -1.166 . . . . 2.6 113.147 174.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.432 ' HA ' ' HG2' ' B' ' 63' ' ' PRO . 35.6 m -93.99 166.15 12.3 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.73 0.312 . . . . 1.74 110.613 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -69.83 121.96 18.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.349 -0.387 . . . . 3.95 110.624 -177.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 103.62 -26.2 24.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.967 -0.635 . . . . 1.6 112.408 178.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 51.4 mm -74.37 135.35 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.861 0.362 . . . . 1.65 111.429 -176.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -85.77 105.59 16.41 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.425 -0.583 . . . . 3.32 109.425 176.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' SER . . . . . 0.478 ' HA ' ' O ' ' B' ' 76' ' ' TRP . 35.2 m -60.26 -22.34 62.96 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.19 -0.459 . . . . 4.63 111.835 -176.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -76.03 -28.65 57.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.679 0.276 . . . . 3.06 111.014 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' HIS . . . . . 0.546 ' O ' ' HB3' ' B' ' 114' ' ' ARG . 20.1 m-70 -95.81 -27.01 15.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.845 0.355 . . . . 3.51 110.869 179.481 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 76' ' ' TRP . . . . . 0.478 ' O ' ' HA ' ' B' ' 73' ' ' SER . 93.8 m95 -142.99 128.08 18.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 3.17 110.908 -178.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 77' ' ' ASN . . . . . 0.415 ' HB3' ' O ' ' B' ' 113' ' ' SER . 23.7 t-20 -81.59 134.25 35.47 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 106.533 -1.655 . . . . 2.7 106.533 167.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 47.3 t -140.15 148.03 41.04 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.432 0.634 . . . . 1.93 112.263 -164.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' TYR . . . . . 0.546 ' O ' HG22 ' B' ' 111' ' ' VAL . 38.4 p90 -165.16 160.32 18.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.805 -1.089 . . . . 3.73 108.727 172.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.456 ' HB2' ' HA ' ' B' ' 61' ' ' SER . 33.5 m -99.84 133.48 44.14 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.495 -0.321 . . . . 1.67 110.804 -177.412 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 13.6 t -132.24 147.61 52.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.818 -0.628 . . . . 2.25 109.673 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.5 p -84.89 144.05 28.63 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.121 0.486 . . . . 2.78 111.945 -176.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 15.9 m -97.34 128.19 43.95 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.823 -0.626 . . . . 2.69 109.633 175.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 17.7 p-80 -104.25 135.69 45.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.008 0.432 . . . . 3.71 111.009 -176.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.593 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 14.0 t -116.06 171.4 7.82 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.646 -0.872 . . . . 1.48 108.646 175.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.405 ' HA ' ' O ' ' B' ' 102' ' ' ILE . 88.6 m-85 -117.6 116.77 27.75 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.027 0.441 . . . . 1.75 110.853 -174.62 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 23.1 m -111.58 149.41 14.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.857 -0.611 . . . . 1.08 111.048 -177.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -75.7 114.96 14.88 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.89 -0.595 . . . . 3.82 110.41 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.81 146.87 50.46 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.18 -0.463 . . . . 1.13 110.379 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 29.4 tp -82.44 109.31 16.56 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 108.431 -0.952 . . . . 1.45 108.431 175.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 77.0 p -115.73 162.3 17.47 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 116.222 -0.444 . . . . 1.15 111.136 -175.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 7.9 t -136.13 137.77 41.33 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 109.706 -0.479 . . . . 1.32 109.706 175.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -103.85 -10.27 18.35 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.309 -0.405 . . . . 2.46 110.226 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 94' ' ' GLU . . . . . 0.514 ' HG3' ' H ' ' B' ' 95' ' ' LYS . 6.8 pt-20 -162.78 -58.27 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.024 -0.534 . . . . 3.09 111.051 177.062 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 95' ' ' LYS . . . . . 0.514 ' H ' ' HG3' ' B' ' 94' ' ' GLU . 99.6 mttt -145.93 -54.38 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.635 0.255 . . . . 3.3 110.967 -177.727 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -68.51 112.44 5.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 2.74 111.112 -178.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.22 137.19 42.9 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.876 -0.602 . . . . 1.44 110.11 177.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.49 150.91 37.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.282 -0.417 . . . . 1.39 110.348 -178.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -81.62 121.77 26.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.231 -0.441 . . . . 2.35 111.166 -178.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 100' ' ' ARG . . . . . 0.437 ' HB3' ' OD1' ' B' ' 30' ' ' ASP . 24.7 mmt180 -128.45 176.52 7.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.906 -0.588 . . . . 3.48 110.238 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -113.95 112.89 24.04 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.213 -0.662 . . . . 1.98 109.213 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 102' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' B' ' 86' ' ' PHE . 42.5 pt -113.16 146.88 17.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.106 0.479 . . . . 0.86 111.062 -174.727 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 103' ' ' ARG . . . . . 0.593 ' HA ' ' O ' ' B' ' 85' ' ' THR . 12.6 ptm180 -78.29 131.55 37.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.45 -0.795 . . . . 3.72 111.152 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 44.5 pt -127.73 135.66 62.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.475 -0.784 . . . . 0.83 109.277 168.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 105' ' ' ASP . . . . . 0.464 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 10.8 m-20 -75.27 105.85 6.5 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.255 -0.646 . . . . 1.69 109.255 178.159 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 6.0 t -103.83 -8.96 19.37 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.783 -0.644 . . . . 2.29 112.138 -167.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -156.79 164.41 38.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.646 0.26 . . . . 1.15 111.116 -178.025 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 46.7 t -126.96 120.58 29.44 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.459 -0.571 . . . . 1.56 109.459 178.297 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 24.7 m -117.61 160.73 16.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.925 0.393 . . . . 1.08 111.07 -175.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 41.9 t -106.53 122.23 45.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.933 -0.576 . . . . 1.45 110.566 -178.074 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.546 HG22 ' O ' ' B' ' 79' ' ' TYR . 14.3 m -94.73 148.46 4.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 121.144 -0.222 . . . . 1.52 110.661 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.433 HD11 HG12 ' A' ' 14' ' ' VAL . 67.4 mt -128.19 136.71 51.47 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.811 -0.44 . . . . 1.67 109.811 176.345 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.415 ' O ' ' HB3' ' B' ' 77' ' ' ASN . 11.2 p -177.19 87.5 0.03 OUTLIER 'General case' 0 C--O 1.218 -0.579 0 N-CA-C 112.121 0.415 . . . . 2.62 112.121 175.679 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 114' ' ' ARG . . . . . 0.546 ' HB3' ' O ' ' B' ' 75' ' ' HIS . 7.0 tpm_? . . . . . 0 C--N 1.325 -0.5 0 O-C-N 121.079 -1.013 . . . . 6.72 109.966 162.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.412 ' HB2' ' CB ' ' B' ' 111' ' ' VAL . 22.2 m-85 . . . . . 0 CA--C 1.516 -0.349 0 CA-C-O 121.181 0.515 . . . . 3.65 110.518 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.2 m -126.48 118.94 25.96 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.648 -0.705 . . . . 2.42 109.667 178.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.4 m -57.38 -26.58 26.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-O 121.379 0.609 . . . . 1.41 110.226 176.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.8 t -109.63 106.67 16.44 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.367 -0.975 . . . . 1.75 108.367 169.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -55.51 115.68 2.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.206 0.527 . . . . 2.87 111.247 -173.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.437 ' HB3' ' CG2' ' A' ' 56' ' ' THR . 50.0 m -125.47 143.65 50.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.6 -0.727 . . . . 1.72 109.927 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.497 ' HB ' ' HD2' ' A' ' 59' ' ' ARG . 7.3 p -115.98 119.94 63.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.007 0.432 . . . . 1.51 110.966 -178.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.408 ' HB2' ' CE2' ' A' ' 54' ' ' PHE . 5.0 p -92.66 115.54 28.2 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.197 -0.456 . . . . 1.66 110.611 179.625 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.1 t -119.89 140.68 43.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.431 -0.349 . . . . 1.03 110.912 -176.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -93.39 96.59 10.03 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.863 -0.791 . . . . 1.61 108.863 173.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.9 t -94.82 120.53 44.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.946 -0.57 . . . . 0.96 111.425 -173.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -130.26 20.35 5.01 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 111.002 -0.839 . . . . 1.27 111.002 174.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -113.41 -20.59 11.26 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.913 0.338 . . . . 3.02 111.913 -176.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -71.59 148.29 46.76 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.517 -0.473 . . . . 1.32 110.03 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.435 ' O ' ' HA ' ' A' ' 37' ' ' THR . 14.9 t -117.11 3.88 12.71 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.47 -0.332 . . . . 1.82 111.637 -173.471 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -144.12 149.27 36.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.693 0.282 . . . . 1.01 111.429 179.264 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -155.73 167.69 29.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.82 -0.627 . . . . 0.79 110.366 174.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 34' ' ' LYS . 11.0 m -96.92 121.2 38.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.942 -0.572 . . . . 1.02 110.777 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -67.07 164.99 16.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.332 -0.849 . . . . 1.85 110.277 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.1 tt -61.42 -28.74 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.031 0.443 . . . . 1.33 110.838 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -79.45 -9.14 59.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 2.22 110.959 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.34 12.74 47.51 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.79 -0.719 . . . . 1.25 112.075 179.087 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 29' ' ' THR . 35.1 mmtp -84.87 159.94 20.26 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.832 0.349 . . . . 2.14 110.551 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -106.79 115.29 29.94 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 108.956 -0.757 . . . . 2.19 108.956 173.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.0 m -120.23 152.43 23.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-O 121.023 0.44 . . . . 1.02 111.466 -174.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 26' ' ' THR . 41.2 m -82.14 109.08 16.12 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.199 -0.909 . . . . 1.04 109.839 178.338 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.517 ' HA ' HG22 ' A' ' 91' ' ' THR . 65.0 t -86.6 125.93 40.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.818 -0.628 . . . . 1.1 111.042 -174.493 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 42.1 mt -99.32 114.57 27.51 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.972 -0.751 . . . . 1.91 108.972 176.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.443 ' O ' ' HA ' ' A' ' 50' ' ' ARG . . . -69.31 -19.2 63.88 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.359 0.6 . . . . 2.18 110.154 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.548 ' HG2' ' HG2' ' A' ' 50' ' ' ARG . 37.4 mt-10 -105.82 115.43 30.22 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.136 -0.938 . . . . 3.59 109.435 177.568 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.554 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 20.2 m -95.8 137.26 24.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.37 -0.377 . . . . 2.4 110.024 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.426 ' H ' HD22 ' A' ' 90' ' ' LEU . 25.5 m-80 -106.58 100.02 9.56 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.163 -0.471 . . . . 3.25 110.236 -176.071 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.6 mt -112.34 101.33 12.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.986 -0.376 . . . . 2.77 109.986 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 58.29 48.25 12.84 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.013 -0.54 . . . . 3.84 110.521 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.4 m120 66.92 12.99 9.27 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.678 -0.692 . . . . 4.76 111.451 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.3 t -110.66 115.77 30.16 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 109.051 -0.722 . . . . 3.33 109.051 176.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.554 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 63.9 t -96.32 130.12 45.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.948 -0.569 . . . . 2.37 111.278 -174.667 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.404 ' O ' HG22 ' A' ' 42' ' ' VAL . 70.4 m-85 -127.13 141.19 51.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.72 -0.673 . . . . 4.13 109.805 175.214 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.548 ' HG2' ' HG2' ' A' ' 41' ' ' GLU . 99.3 mtt180 -101.82 129.02 47.94 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.01 0.433 . . . . 4.84 110.887 -179.524 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -117.19 100.59 7.81 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.073 -0.512 . . . . 4.56 110.812 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -73.68 129.36 37.79 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.857 -0.794 . . . . 2.46 108.857 177.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -87.92 129.49 35.21 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.426 -0.352 . . . . 1.16 110.856 -174.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.408 ' CE2' ' HB2' ' A' ' 19' ' ' SER . 78.0 t80 -83.4 94.71 8.03 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.944 -0.761 . . . . 3.56 108.944 178.395 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -114.42 121.57 43.99 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.617 -0.72 . . . . 1.49 110.037 -175.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.451 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 32.0 m -98.29 122.16 41.11 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.98 -0.555 . . . . 1.07 110.286 179.31 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -103.13 151.42 22.6 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.035 -0.53 . . . . 2.48 110.161 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.8 t -86.77 106.07 17.42 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.906 -0.588 . . . . 1.73 110.026 -177.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.497 ' HD2' ' HB ' ' A' ' 18' ' ' VAL . 79.6 mtp180 -70.5 -49.54 47.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.939 -0.573 . . . . 3.48 110.517 -178.016 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -139.71 109.41 6.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.833 -0.621 . . . . 2.58 110.44 -177.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.449 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 49.9 m -83.76 -20.32 33.54 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.984 0.421 . . . . 2.76 111.23 -178.576 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -144.4 70.36 15.81 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.293 -0.412 . . . . 2.59 110.08 176.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -51.68 -35.41 57.54 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 122.761 2.307 . . . . 2.57 112.236 177.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.466 HG11 ' HG2' ' A' ' 69' ' ' ARG . 29.3 m -123.92 177.48 4.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 110.199 -0.297 . . . . 2.53 110.199 174.647 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.91 -47.89 82.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.593 0.235 . . . . 4.19 111.424 -177.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.2 p -71.22 -12.39 61.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.873 0.368 . . . . 3.9 111.446 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 78' ' ' SER . . . 123.39 -97.33 0.56 Allowed Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 121.134 -0.555 . . . . 2.6 111.802 -178.445 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 74.3 m -99.23 135.58 40.43 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.366 -0.235 . . . . 1.73 110.366 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.466 ' HG2' HG11 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -68.75 105.44 2.31 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-N 116.309 -0.405 . . . . 3.94 110.15 -175.906 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 137.47 -32.41 2.4 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.834 -0.698 . . . . 1.61 111.558 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.3 mm -63.38 140.21 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 122.586 0.354 . . . . 1.65 110.961 -179.143 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -68.71 107.49 3.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.875 -0.602 . . . . 3.32 109.901 178.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.1 p -75.83 -11.61 60.01 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.591 0.589 . . . . 4.63 112.591 -172.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -89.91 -35.5 15.56 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.007 0.432 . . . . 3.06 110.874 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -97.97 -30.62 12.61 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.172 -0.467 . . . . 3.51 111.199 -178.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.535 ' CE3' ' HB3' ' A' ' 112' ' ' LEU . 99.6 m95 -127.83 157.48 40.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.643 0.735 . . . . 3.17 111.799 -174.689 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -121.29 135.11 55.15 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.134 -1.061 . . . . 2.69 108.134 169.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.504 ' HB2' ' SG ' ' A' ' 110' ' ' CYS . 12.0 p -121.04 137.23 54.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.034 0.445 . . . . 1.93 111.617 -176.057 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.512 ' O ' HG22 ' A' ' 111' ' ' VAL . 49.7 p90 -153.69 160.63 42.41 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.945 -0.761 . . . . 3.73 108.945 173.398 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.791 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 73.1 m -102.35 144.03 31.36 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 112.71 0.633 . . . . 1.67 112.71 -170.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.482 ' O ' HG22 ' A' ' 109' ' ' VAL . 5.2 t -145.3 141.22 28.36 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.989 -1.005 . . . . 2.24 108.807 172.254 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 108' ' ' CYS . 19.8 p -85.97 133.93 33.9 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.127 0.489 . . . . 2.78 111.695 -174.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.439 HG23 ' OG1' ' A' ' 106' ' ' THR . 10.6 t -94.45 147.27 23.41 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.364 -0.976 . . . . 2.69 108.364 173.374 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -132.66 151.18 52.03 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.098 0.475 . . . . 3.71 112.171 -168.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.516 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 13.4 t -124.67 175.97 6.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.428 -0.805 . . . . 1.48 109.118 174.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -125.89 118.08 24.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.796 0.332 . . . . 1.75 110.11 -176.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.0 m -116.59 140.77 37.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.178 -0.465 . . . . 1.08 110.391 -178.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 18.8 pttm -82.76 123.55 29.42 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 121.67 0.748 . . . . 3.82 110.719 -179.66 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.8 156.53 43.44 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.936 -1.029 . . . . 1.13 109.502 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.426 HD22 ' H ' ' A' ' 43' ' ' ASN . 24.1 tp -75.46 104.69 6.13 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.507 -0.923 . . . . 1.45 108.507 175.047 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.517 HG22 ' HA ' ' A' ' 38' ' ' VAL . 32.7 p -125.88 158.58 34.74 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.226 -0.443 . . . . 1.14 110.122 -175.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.0 t -128.38 135.95 50.25 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.043 0.449 . . . . 1.32 110.38 176.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -95.09 -7.01 40.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.995 -0.548 . . . . 2.47 110.524 178.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -160.49 -82.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.375 -0.375 . . . . 3.09 110.3 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -138.81 7.63 2.51 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 111.77 0.285 . . . . 3.29 111.77 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -118.14 124.74 48.73 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.717 0.294 . . . . 2.74 110.314 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -88.26 130.99 34.95 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.12 -0.491 . . . . 1.44 110.798 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.78 153.5 38.24 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.252 -0.431 . . . . 1.38 110.487 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -77.2 101.86 6.38 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.237 -0.438 . . . . 2.35 110.46 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.444 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 38.2 mmt180 -111.87 154.35 25.29 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.497 -0.557 . . . . 3.48 109.497 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -90.67 117.24 29.17 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.872 0.368 . . . . 1.98 110.271 179.104 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 35.8 pt -112.74 149.82 15.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.086 -0.507 . . . . 0.86 110.069 -178.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.516 ' HA ' ' O ' ' A' ' 85' ' ' THR . 17.6 ptp180 -88.36 132.05 34.59 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.725 -0.67 . . . . 3.71 111.231 -174.266 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 30.5 pt -129.78 140.79 48.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.533 -0.758 . . . . 0.83 109.578 173.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -80.1 127.41 32.28 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.844 -0.428 . . . . 1.69 109.844 -178.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.439 ' OG1' HG23 ' A' ' 83' ' ' THR . 7.5 p -91.23 -29.43 17.2 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.355 -0.384 . . . . 2.29 111.388 -176.338 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -168.32 153.11 6.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.415 -0.357 . . . . 1.14 111.018 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.791 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 14.6 t -100.14 107.09 18.89 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.294 -1.002 . . . . 1.56 108.294 173.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.515 ' O ' ' HA ' ' A' ' 80' ' ' CYS . 21.4 m -89.6 142.72 12.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.149 0.499 . . . . 1.07 111.304 -171.458 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.504 ' SG ' ' HB2' ' A' ' 78' ' ' SER . 37.4 t -92.03 99.83 12.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.074 -0.966 . . . . 1.45 108.66 177.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 79' ' ' TYR . 17.5 m -85.3 152.61 3.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.33 -0.395 . . . . 1.52 110.688 -175.347 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.535 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . 85.7 mt -110.77 137.69 48.11 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.112 0.482 . . . . 1.67 110.179 178.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.4 m -126.61 155.71 42.08 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.737 -0.665 . . . . 2.62 109.407 176.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.344 -0.389 . . . . 6.73 111.68 -176.751 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 12' ' ' PHE . . . . . 0.414 ' HB2' ' CB ' ' A' ' 111' ' ' VAL . 22.0 m-85 . . . . . 0 CA--C 1.516 -0.327 0 CA-C-O 121.174 0.512 . . . . 3.65 110.456 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 20.1 m -126.32 118.91 26.05 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.512 -0.767 . . . . 2.42 109.692 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 27.4 m -57.46 -26.53 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-O 121.453 0.644 . . . . 1.41 110.329 176.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 47.5 t -109.44 106.65 16.5 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.949 -1.023 . . . . 1.75 108.372 169.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -55.57 115.69 2.47 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.155 0.502 . . . . 2.87 111.195 -173.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' SER . . . . . 0.426 ' HB3' ' CG2' ' B' ' 56' ' ' THR . 50.2 m -125.45 143.25 51.08 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.604 -0.725 . . . . 1.72 110.014 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.509 ' HB ' ' HD2' ' B' ' 59' ' ' ARG . 7.3 p -115.53 120.14 63.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.915 0.388 . . . . 1.51 110.891 -178.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.6 p -92.69 115.53 28.19 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.306 -0.406 . . . . 1.66 110.637 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 40.9 t -119.88 140.62 43.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.496 -0.32 . . . . 1.03 110.86 -176.367 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -93.21 96.11 9.8 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.952 -0.759 . . . . 1.61 108.952 173.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 45.5 t -94.67 120.41 44.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.08 -0.509 . . . . 0.96 111.347 -173.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -130.1 20.26 5.07 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 110.941 -0.864 . . . . 1.27 110.941 174.463 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -113.31 -20.72 11.27 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.775 0.287 . . . . 3.01 111.775 -176.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 21.8 pttm -71.7 148.0 46.86 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.499 -0.481 . . . . 1.32 110.148 -178.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' B' ' 37' ' ' THR . 14.8 t -116.56 4.08 13.2 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.391 -0.368 . . . . 1.82 111.783 -173.373 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.47 149.32 35.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.751 0.31 . . . . 1.0 111.361 179.561 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -155.87 167.69 29.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.962 -0.563 . . . . 0.79 110.299 175.032 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' B' ' 34' ' ' LYS . 11.8 m -96.73 121.28 38.41 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.006 -0.543 . . . . 1.01 110.774 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.9 164.95 16.36 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.309 -0.859 . . . . 1.84 110.278 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 14.1 tt -61.41 -28.83 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.93 0.395 . . . . 1.33 110.772 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -79.44 -9.01 59.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 2.22 110.867 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.96 11.32 50.11 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.684 -0.77 . . . . 1.25 112.237 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.429 ' O ' ' HA ' ' B' ' 29' ' ' THR . 35.1 mmtp -83.72 159.79 21.42 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.788 0.327 . . . . 2.14 110.499 179.172 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -106.6 115.54 30.37 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.828 -0.804 . . . . 2.19 108.828 173.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 21.6 m -120.49 152.35 23.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.071 0.462 . . . . 1.01 111.542 -175.084 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' THR . . . . . 0.441 ' HA ' ' O ' ' B' ' 26' ' ' THR . 39.6 m -81.83 109.16 15.96 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.22 -0.9 . . . . 1.04 109.836 178.388 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.536 ' HA ' HG22 ' B' ' 91' ' ' THR . 66.3 t -86.74 125.68 40.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.84 -0.618 . . . . 1.1 111.094 -174.56 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 41.9 mt -99.3 114.14 26.83 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.869 -0.789 . . . . 1.91 108.869 176.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.437 ' O ' ' HA ' ' B' ' 50' ' ' ARG . . . -68.86 -18.99 64.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.358 0.599 . . . . 2.18 110.341 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.536 ' HG2' ' HG2' ' B' ' 50' ' ' ARG . 37.1 mt-10 -105.78 115.51 30.35 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.16 -0.927 . . . . 3.59 109.389 177.501 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.554 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 19.9 m -95.77 137.26 24.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 110.039 -0.356 . . . . 2.39 110.039 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.415 ' H ' HD22 ' B' ' 90' ' ' LEU . 25.5 m-80 -106.57 99.87 9.42 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.15 -0.477 . . . . 3.25 110.22 -176.114 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 68.3 mt -112.29 101.11 12.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 110.09 -0.337 . . . . 2.77 110.09 178.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 58.33 48.19 12.84 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.979 -0.555 . . . . 3.84 110.535 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 18.8 m120 66.93 13.15 9.34 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.641 -0.709 . . . . 4.76 111.463 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 14.2 t -110.6 115.48 29.67 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.847 -0.797 . . . . 3.33 108.847 176.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.554 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 64.1 t -96.29 129.83 45.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.877 -0.601 . . . . 2.38 111.423 -174.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -126.72 141.13 51.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.876 -0.602 . . . . 4.13 109.902 175.305 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.536 ' HG2' ' HG2' ' B' ' 41' ' ' GLU . 99.3 mtt180 -101.83 129.23 47.99 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.982 0.42 . . . . 4.84 110.739 -179.517 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -117.07 100.76 7.95 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.008 -0.542 . . . . 4.56 110.738 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -73.81 129.37 37.77 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.874 -0.787 . . . . 2.45 108.874 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -88.05 129.55 35.25 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.475 -0.329 . . . . 1.16 110.835 -174.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -83.47 94.83 8.1 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.955 -0.758 . . . . 3.56 108.955 178.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -114.55 121.46 43.54 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.517 -0.765 . . . . 1.49 109.927 -175.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 31.4 m -98.27 122.3 41.26 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.964 -0.562 . . . . 1.07 110.279 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -103.16 151.46 22.57 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.909 -0.587 . . . . 2.48 110.217 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 4.9 t -86.74 105.79 17.22 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.824 -0.625 . . . . 1.73 110.107 -177.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' ARG . . . . . 0.509 ' HD2' ' HB ' ' B' ' 18' ' ' VAL . 79.9 mtp180 -70.4 -49.21 51.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.917 -0.583 . . . . 3.49 110.666 -177.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -139.98 109.65 6.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.873 -0.603 . . . . 2.58 110.452 -177.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' SER . . . . . 0.453 ' HA ' ' SG ' ' B' ' 80' ' ' CYS . 51.0 m -84.19 -19.89 33.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.364 -0.38 . . . . 2.76 111.102 -178.333 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -144.78 70.19 15.03 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.189 -0.46 . . . . 2.59 110.081 177.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo -51.48 -35.8 56.79 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 122.797 2.331 . . . . 2.57 112.158 177.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' VAL . . . . . 0.468 HG11 ' HG2' ' B' ' 69' ' ' ARG . 28.9 m -123.65 177.47 4.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.39 -0.368 . . . . 2.53 110.262 174.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -61.79 -48.38 80.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.815 0.34 . . . . 4.2 111.443 -177.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 11.3 p -71.28 -11.72 61.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.507 -0.315 . . . . 3.9 111.551 -177.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.16 -97.52 0.58 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 121.032 -0.604 . . . . 2.6 111.765 -178.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 74.3 m -98.99 135.32 40.56 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.595 0.236 . . . . 1.74 110.484 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' ARG . . . . . 0.468 ' HG2' HG11 ' B' ' 64' ' ' VAL . 0.0 OUTLIER -68.29 105.47 2.14 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.32 -0.4 . . . . 3.95 110.213 -175.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 137.47 -32.49 2.39 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.75 -0.738 . . . . 1.6 111.507 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 49.2 mm -63.18 140.07 20.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 O-C-N 123.863 0.39 . . . . 1.65 111.057 -179.143 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -68.57 107.55 2.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.936 -0.575 . . . . 3.32 109.908 178.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 5.8 p -75.58 -12.11 60.15 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.651 0.611 . . . . 4.63 112.651 -172.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -89.84 -35.45 15.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.811 0.339 . . . . 3.06 110.831 -177.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -97.77 -30.8 12.58 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.235 -0.438 . . . . 3.51 111.23 -178.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' TRP . . . . . 0.534 ' CE3' ' HB3' ' B' ' 112' ' ' LEU . 99.6 m95 -127.69 157.66 39.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.622 0.725 . . . . 3.17 111.876 -174.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -121.28 135.15 55.15 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.814 -1.085 . . . . 2.7 108.205 169.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.503 ' HB2' ' SG ' ' B' ' 110' ' ' CYS . 12.0 p -121.06 137.57 54.59 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.054 0.454 . . . . 1.93 111.727 -176.228 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 79' ' ' TYR . . . . . 0.505 ' O ' HG22 ' B' ' 111' ' ' VAL . 49.3 p90 -154.03 160.64 42.1 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.934 -0.765 . . . . 3.73 108.934 173.384 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.783 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 73.3 m -102.37 143.84 31.62 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 112.749 0.648 . . . . 1.67 112.749 -170.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.466 ' O ' HG22 ' B' ' 109' ' ' VAL . 5.0 t -145.12 141.14 28.52 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.988 -1.005 . . . . 2.25 108.747 172.329 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' B' ' 108' ' ' CYS . 19.8 p -85.79 133.86 33.96 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.927 0.394 . . . . 2.78 111.787 -175.173 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 83' ' ' THR . . . . . 0.44 HG23 ' OG1' ' B' ' 106' ' ' THR . 9.9 t -94.2 147.09 23.52 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.338 -0.986 . . . . 2.69 108.338 173.245 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -132.25 151.58 51.75 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.056 0.455 . . . . 3.71 112.118 -168.415 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.527 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 13.6 t -125.05 176.03 6.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.335 -0.848 . . . . 1.48 109.085 174.739 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -125.94 118.15 24.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.852 0.358 . . . . 1.75 110.176 -177.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 19.1 m -116.63 140.7 37.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.191 -0.459 . . . . 1.08 110.411 -178.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 88' ' ' LYS . . . . . 0.446 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 18.9 pttm -82.72 123.59 29.44 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.615 0.721 . . . . 3.82 110.675 -179.535 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.74 156.52 43.4 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.003 -0.999 . . . . 1.13 109.462 177.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 90' ' ' LEU . . . . . 0.415 HD22 ' H ' ' B' ' 43' ' ' ASN . 24.0 tp -75.43 104.7 6.1 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.565 -0.902 . . . . 1.45 108.565 174.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 91' ' ' THR . . . . . 0.536 HG22 ' HA ' ' B' ' 38' ' ' VAL . 33.4 p -125.97 158.78 34.38 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.229 -0.441 . . . . 1.15 110.099 -175.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 11.5 t -128.75 135.76 49.64 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.018 0.437 . . . . 1.32 110.228 176.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -94.76 -7.54 40.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.984 -0.553 . . . . 2.46 110.561 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -160.16 -81.45 0.05 OUTLIER 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.289 -0.414 . . . . 3.09 110.468 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -139.35 7.4 2.38 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 111.719 0.266 . . . . 3.3 111.719 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -117.89 125.24 50.11 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.764 0.316 . . . . 2.74 110.256 178.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -88.64 130.56 35.26 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.323 -0.399 . . . . 1.44 110.764 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.46 153.33 38.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.183 -0.462 . . . . 1.39 110.42 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -76.98 101.72 6.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.231 -0.441 . . . . 2.35 110.579 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 100' ' ' ARG . . . . . 0.446 ' O ' ' HA ' ' B' ' 88' ' ' LYS . 38.2 mmt180 -111.8 154.36 25.19 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.485 -0.561 . . . . 3.48 109.485 -179.149 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -90.81 117.03 29.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.417 -0.356 . . . . 1.98 110.321 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 35.0 pt -112.64 149.88 15.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.106 -0.497 . . . . 0.86 109.94 -178.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 103' ' ' ARG . . . . . 0.527 ' HA ' ' O ' ' B' ' 85' ' ' THR . 17.6 ptp180 -88.3 132.2 34.49 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.68 -0.691 . . . . 3.72 111.269 -174.345 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 30.4 pt -129.97 140.76 48.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.619 -0.719 . . . . 0.83 109.532 173.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -80.11 127.18 32.0 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.974 -0.38 . . . . 1.69 109.974 -178.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 106' ' ' THR . . . . . 0.44 ' OG1' HG23 ' B' ' 83' ' ' THR . 7.3 p -91.22 -29.2 17.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.438 -0.347 . . . . 2.29 111.412 -176.152 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -168.46 152.97 6.07 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.462 -0.336 . . . . 1.15 110.976 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 108' ' ' CYS . . . . . 0.783 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 14.4 t -99.94 106.89 18.75 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.29 -1.004 . . . . 1.56 108.29 173.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.513 ' O ' ' HA ' ' B' ' 80' ' ' CYS . 21.5 m -89.4 142.87 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.118 0.485 . . . . 1.08 111.418 -171.556 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.503 ' SG ' ' HB2' ' B' ' 78' ' ' SER . 37.3 t -92.04 99.97 12.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.142 -0.935 . . . . 1.45 108.753 177.677 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.505 HG22 ' O ' ' B' ' 79' ' ' TYR . 17.7 m -85.35 152.61 3.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.327 -0.397 . . . . 1.52 110.542 -175.218 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.534 ' HB3' ' CE3' ' B' ' 76' ' ' TRP . 85.4 mt -110.76 137.74 48.04 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 121.047 0.451 . . . . 1.67 110.292 178.563 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 22.4 m -126.82 155.62 42.6 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.665 -0.698 . . . . 2.62 109.522 176.214 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 . . . . . 0 C--N 1.324 -0.5 0 CA-C-N 116.304 -0.407 . . . . 6.72 111.762 -176.771 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 . . . . . 0 CA--C 1.519 -0.227 0 CA-C-O 121.171 0.51 . . . . 3.65 111.511 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.2 m -103.3 134.23 47.05 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.467 -0.788 . . . . 2.42 109.358 175.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.3 m -62.37 -18.02 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 121.09 0.472 . . . . 1.41 111.132 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.2 t -125.29 126.99 45.99 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.196 -1.038 . . . . 1.75 108.196 171.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -54.1 115.01 1.82 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.381 0.61 . . . . 2.87 112.282 -171.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.4 m -128.22 145.54 51.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.262 -0.881 . . . . 1.72 109.824 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -117.52 122.28 69.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.889 0.376 . . . . 1.51 110.625 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.421 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 4.6 p -94.77 113.97 25.8 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.181 0.515 . . . . 1.66 110.565 179.008 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.9 t -119.58 138.33 50.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.146 -0.479 . . . . 1.03 110.901 -177.088 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -97.12 96.13 8.24 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.173 -0.677 . . . . 1.61 109.173 172.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.2 t -83.43 108.57 16.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.927 -0.578 . . . . 0.96 110.45 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.3 6.78 56.1 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.672 -0.775 . . . . 1.27 111.87 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -137.85 42.39 2.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.762 0.315 . . . . 3.02 110.798 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -76.29 130.31 37.96 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.797 -0.445 . . . . 1.32 109.797 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 37' ' ' THR . 8.8 t -115.99 -17.19 10.99 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.507 0.558 . . . . 1.82 112.507 -175.404 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.7 p -137.59 141.76 41.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.875 -0.516 . . . . 1.01 111.652 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.417 ' HB1' ' HB ' ' A' ' 102' ' ' ILE . . . -154.64 163.78 39.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.988 -0.551 . . . . 0.79 110.454 174.342 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.4 m -103.2 121.03 41.83 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.136 -0.483 . . . . 1.02 110.686 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.471 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 20.2 t70 -65.15 162.8 16.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.325 -0.852 . . . . 1.85 110.351 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.467 ' HA ' ' CE2' ' A' ' 86' ' ' PHE . 16.8 tt -59.9 -27.48 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.72 0.295 . . . . 1.33 111.603 -178.201 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -83.7 -9.55 58.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 2.22 111.078 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.95 20.2 14.89 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.563 -0.827 . . . . 1.25 112.749 177.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -95.59 125.76 40.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.887 -0.184 . . . . 2.14 110.705 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -81.7 115.04 20.77 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.204 -0.665 . . . . 2.19 109.204 176.098 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.1 m -125.22 158.67 33.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.937 -0.574 . . . . 1.02 111.398 -173.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 26' ' ' THR . 31.7 m -85.93 114.54 22.92 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.292 -0.867 . . . . 1.04 110.552 -179.25 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.46 ' HA ' HG22 ' A' ' 91' ' ' THR . 59.6 t -83.58 132.82 30.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.718 -0.674 . . . . 1.1 110.466 -177.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.0 mt -93.95 117.97 30.84 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.929 -0.767 . . . . 1.91 108.929 175.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.16 -11.16 60.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.379 0.609 . . . . 2.18 110.429 -178.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.499 ' HG2' ' HB3' ' A' ' 50' ' ' ARG . 45.0 mt-10 -132.16 116.33 16.85 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.972 -1.013 . . . . 3.59 109.04 175.264 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 16.2 m -89.8 130.54 38.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.293 0.568 . . . . 2.4 110.372 -177.583 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -99.87 98.88 9.62 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.773 -0.648 . . . . 3.25 109.872 -178.282 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.7 mm -114.04 91.35 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.197 -0.456 . . . . 2.77 110.199 -178.233 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.409 HD22 ' N ' ' A' ' 45' ' ' ASN . 0.9 OUTLIER 59.23 56.86 3.67 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.602 -0.727 . . . . 3.84 110.433 179.159 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 74.57 -20.53 0.32 Allowed 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.363 -0.835 . . . . 4.76 111.825 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.9 t -85.61 115.27 23.2 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.515 -0.55 . . . . 3.33 109.515 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.499 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 49.2 t -101.46 123.21 54.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.856 -0.611 . . . . 2.37 110.934 -177.075 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.466 ' O ' HG22 ' A' ' 42' ' ' VAL . 84.0 m-85 -116.96 125.62 51.7 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.934 -0.576 . . . . 4.13 109.714 175.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.499 ' HB3' ' HG2' ' A' ' 41' ' ' GLU . 14.2 ptp180 -101.81 142.51 33.02 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.701 -0.4 . . . . 4.84 110.248 177.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.439 ' HB3' ' HG3' ' B' ' 88' ' ' LYS . 1.0 OUTLIER -116.85 164.72 14.24 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.199 0.523 . . . . 4.56 111.251 -179.727 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -123.98 123.16 39.77 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.439 -0.949 . . . . 2.46 108.439 175.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -89.67 116.57 27.9 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 120.826 0.346 . . . . 1.16 110.694 -176.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 19' ' ' SER . 84.7 t80 -83.73 94.76 8.22 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.794 -0.639 . . . . 3.56 109.642 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -102.03 109.01 20.62 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.614 -0.721 . . . . 1.49 110.183 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.4 m -91.52 96.67 10.61 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.468 -0.938 . . . . 1.07 108.468 172.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -101.66 152.11 21.21 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.515 -0.766 . . . . 2.48 110.439 -168.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 6.0 t -82.14 116.07 21.54 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.064 -0.516 . . . . 1.73 110.479 -175.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -74.62 -47.69 30.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.965 -0.561 . . . . 3.48 110.431 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -160.89 125.51 3.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.151 -0.477 . . . . 2.58 110.521 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.5 t -78.96 135.15 36.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.137 -0.483 . . . . 2.76 110.108 178.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.7 m120 64.05 74.67 0.41 Allowed Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.807 -0.633 . . . . 2.59 111.149 178.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -61.32 -27.27 82.89 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.603 2.202 . . . . 2.57 112.507 179.31 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.8 m -123.64 161.3 26.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.42 -0.354 . . . . 2.53 110.206 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -88.78 40.55 0.98 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.344 0.592 . . . . 4.19 111.31 -175.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.1 m -150.32 21.91 0.84 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.617 -0.719 . . . . 3.9 109.42 175.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.92 -104.2 1.43 Allowed Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.55 -0.75 . . . . 2.6 111.631 -176.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 93.3 m -135.19 169.06 18.03 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 110.217 -0.29 . . . . 1.73 110.217 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -67.65 125.66 26.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.773 0.321 . . . . 3.94 110.378 -175.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.496 ' O ' ' HA ' ' B' ' 71' ' ' ILE . . . 99.95 -29.71 11.57 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.888 -0.672 . . . . 1.61 111.912 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.476 ' HA ' ' O ' ' B' ' 70' ' ' GLY . 30.2 mm -76.91 84.92 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.143 0.497 . . . . 1.65 110.253 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -102.2 80.71 2.0 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.416 -0.587 . . . . 3.32 109.416 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.1 t -147.69 138.08 23.09 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.656 -0.702 . . . . 4.63 110.205 -178.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -91.02 -15.72 29.13 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.006 -0.738 . . . . 3.06 109.006 174.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -78.93 -28.75 43.85 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.801 -1.091 . . . . 3.51 109.705 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 82.5 m95 -113.09 118.22 34.15 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.812 -0.631 . . . . 3.17 111.408 -178.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -96.39 136.44 36.87 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.079 -1.082 . . . . 2.69 108.079 169.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.649 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 4.5 m -121.73 148.69 44.29 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 120.929 0.395 . . . . 1.93 111.73 -171.67 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -154.4 156.1 36.21 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.555 -0.748 . . . . 3.73 109.055 171.273 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.56 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 26.9 m -99.34 139.06 35.54 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.954 0.407 . . . . 1.67 111.416 -172.037 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.1 t -138.37 147.01 42.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.848 -0.615 . . . . 2.24 109.588 177.436 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.9 p -91.67 124.94 36.2 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.191 0.52 . . . . 2.78 112.066 -175.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 91.0 m -76.4 138.27 40.28 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.437 -0.949 . . . . 2.69 108.437 170.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -124.56 132.37 53.45 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.737 -0.385 . . . . 3.71 110.435 -178.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.62 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 8.9 t -114.36 160.57 18.96 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.175 -0.466 . . . . 1.48 109.753 -178.516 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.679 ' CE2' ' HB3' ' A' ' 103' ' ' ARG . 83.7 m-85 -120.54 117.22 27.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.805 0.336 . . . . 1.75 110.459 -176.319 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 31.1 m -113.63 156.15 14.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.249 -0.432 . . . . 1.08 110.703 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.447 ' HG3' ' HB3' ' B' ' 51' ' ' GLN . 32.0 mmmt -84.56 113.07 20.97 Favored 'General case' 0 CA--C 1.515 -0.404 0 CA-C-O 120.914 0.388 . . . . 3.82 110.144 177.251 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.57 146.09 50.64 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.87 -0.604 . . . . 1.13 109.916 177.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.427 ' HB3' HG12 ' A' ' 42' ' ' VAL . 23.4 tp -77.96 104.45 8.53 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.644 -0.873 . . . . 1.45 108.644 176.581 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.46 HG22 ' HA ' ' A' ' 38' ' ' VAL . 67.9 p -112.74 145.46 40.48 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.161 -0.472 . . . . 1.14 110.36 -176.591 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.7 t -104.44 126.61 51.69 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.462 0.649 . . . . 1.32 110.442 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -70.98 -31.2 67.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.18 -0.918 . . . . 2.47 109.929 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -171.62 -58.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.168 -0.924 . . . . 3.09 108.515 178.282 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -125.33 -32.94 2.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.664 -0.698 . . . . 3.29 110.586 172.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -83.73 130.61 34.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.354 -0.384 . . . . 2.74 110.93 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.426 ' HB1' ' HG ' ' A' ' 90' ' ' LEU . . . -103.99 137.13 42.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.928 -0.578 . . . . 1.44 110.501 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.58 147.45 32.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.226 -0.443 . . . . 1.38 110.718 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -73.19 108.22 5.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.131 -0.486 . . . . 2.35 110.374 177.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.412 HH21 ' CG ' ' A' ' 30' ' ' ASP . 12.3 mmm180 -114.79 163.89 14.87 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.247 -0.433 . . . . 3.48 110.56 -179.365 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.471 ' O ' ' HA ' ' A' ' 30' ' ' ASP . 75.5 m-85 -89.8 113.23 24.75 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.137 -0.69 . . . . 1.98 109.137 173.086 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.455 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 40.8 pt -113.3 144.42 20.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 C-N-CA 120.449 -0.5 . . . . 0.86 110.752 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.679 ' HB3' ' CE2' ' A' ' 86' ' ' PHE . 19.0 ptp180 -94.03 130.76 40.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.556 -0.747 . . . . 3.71 111.278 -174.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.441 ' N ' HD13 ' A' ' 104' ' ' ILE . 0.2 OUTLIER -131.46 160.38 42.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 CA-C-N 115.889 -0.596 . . . . 0.83 110.522 174.636 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -69.11 123.32 20.77 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.485 -0.78 . . . . 1.69 110.668 -178.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.404 HG22 HG22 ' B' ' 106' ' ' THR . 2.3 m -96.43 -34.86 11.36 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.567 -0.742 . . . . 2.29 110.701 -177.421 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -179.34 160.48 1.01 Allowed 'General case' 0 CA--C 1.522 -0.106 0 CA-C-N 115.779 -0.646 . . . . 1.14 110.119 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.56 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 39.1 t -113.29 100.99 8.98 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.591 -0.892 . . . . 1.56 108.591 171.668 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' A' ' 80' ' ' CYS . 22.2 m -94.92 152.25 3.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.013 -0.54 . . . . 1.07 110.914 -172.533 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.649 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 32.5 t -104.06 109.44 21.23 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.221 -0.659 . . . . 1.45 109.221 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.461 ' O ' ' HA ' ' A' ' 78' ' ' SER . 13.5 m -86.18 153.14 3.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.165 -0.47 . . . . 1.52 110.47 -175.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.0 mt -108.93 137.55 46.67 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.758 -0.46 . . . . 1.67 109.758 177.607 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 44.5 t -132.22 144.21 50.47 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.243 -0.435 . . . . 2.62 110.078 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 114' ' ' ARG . 42.8 ttp180 . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 115.924 -0.58 . . . . 6.73 110.14 178.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 . . . . . 0 CA--C 1.52 -0.182 0 CA-C-O 121.211 0.529 . . . . 3.65 111.45 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 24.1 m -103.39 134.24 47.1 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.374 -0.83 . . . . 2.42 109.509 175.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 28.3 m -62.42 -17.98 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-O 121.126 0.489 . . . . 1.41 111.133 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 t -125.22 127.32 46.58 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.14 -1.059 . . . . 1.75 108.14 171.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -53.97 115.16 1.88 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.269 0.557 . . . . 2.87 112.426 -171.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 45.0 m -128.66 145.17 51.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.441 -0.799 . . . . 1.72 109.848 178.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -117.36 121.99 68.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 120.946 0.403 . . . . 1.51 110.646 -179.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.425 ' HB2' ' CE1' ' B' ' 54' ' ' PHE . 4.8 p -94.84 113.69 25.47 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.99 0.424 . . . . 1.66 110.518 179.012 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 59.0 t -119.32 138.35 50.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.105 -0.498 . . . . 1.03 110.886 -177.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -97.19 96.16 8.24 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.189 -0.671 . . . . 1.61 109.189 172.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 40.3 t -83.61 108.57 16.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.941 -0.572 . . . . 0.96 110.411 -177.196 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.12 6.57 56.45 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.577 -0.821 . . . . 1.27 112.007 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -137.75 42.77 2.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.88 0.371 . . . . 3.01 110.784 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -76.37 130.67 38.4 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.643 -0.503 . . . . 1.32 109.643 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' B' ' 37' ' ' THR . 8.8 t -116.48 -17.07 10.74 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.525 0.565 . . . . 1.82 112.525 -175.433 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 12.1 p -137.82 141.44 40.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.985 -0.447 . . . . 1.0 111.668 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.429 ' HB1' ' HB ' ' B' ' 102' ' ' ILE . . . -154.5 163.57 40.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.985 -0.552 . . . . 0.79 110.359 174.453 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 27.1 m -102.87 121.26 42.14 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.142 -0.481 . . . . 1.01 110.748 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' ASP . . . . . 0.468 ' HA ' ' O ' ' B' ' 101' ' ' PHE . 20.1 t70 -65.12 162.8 16.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.392 -0.822 . . . . 1.84 110.422 179.367 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.469 ' HA ' ' CE2' ' B' ' 86' ' ' PHE . 16.6 tt -60.12 -27.44 39.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.729 0.299 . . . . 1.33 111.462 -178.241 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -83.58 -9.67 58.77 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.811 0.338 . . . . 2.22 111.115 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.96 20.25 14.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.766 -0.731 . . . . 1.25 112.837 177.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -95.61 126.01 40.6 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.77 -0.253 . . . . 2.14 110.465 179.215 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -82.08 115.07 21.04 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.276 -0.638 . . . . 2.19 109.276 176.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 16.1 m -124.96 158.96 32.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.853 -0.612 . . . . 1.01 111.408 -173.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' B' ' 26' ' ' THR . 30.2 m -86.3 114.52 23.17 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.193 -0.912 . . . . 1.04 110.451 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.444 ' HA ' HG22 ' B' ' 91' ' ' THR . 60.5 t -83.37 133.19 29.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.84 -0.618 . . . . 1.1 110.556 -177.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 63.5 mt -94.23 117.83 30.69 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.012 -0.736 . . . . 1.91 109.012 175.383 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.14 -10.8 60.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.295 0.569 . . . . 2.18 110.523 -178.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.49 ' HG2' ' HB3' ' B' ' 50' ' ' ARG . 44.7 mt-10 -132.47 116.5 16.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.104 -0.953 . . . . 3.59 109.122 175.074 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 16.3 m -89.93 130.46 39.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.308 0.575 . . . . 2.39 110.248 -177.393 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -99.97 99.06 9.76 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.721 -0.672 . . . . 3.25 109.773 -178.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 48.8 mm -114.1 91.22 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.197 -0.456 . . . . 2.77 110.247 -178.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ASN . . . . . 0.407 HD22 ' N ' ' B' ' 45' ' ' ASN . 0.9 OUTLIER 59.39 56.58 3.7 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.66 -0.7 . . . . 3.84 110.404 179.134 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 74.61 -19.63 0.36 Allowed 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.415 -0.811 . . . . 4.76 111.804 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 23.0 t -86.45 115.4 23.93 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.473 -0.566 . . . . 3.33 109.473 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.49 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 49.1 t -101.7 122.6 54.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.856 -0.611 . . . . 2.38 111.079 -176.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 49' ' ' PHE . . . . . 0.473 ' O ' HG22 ' B' ' 42' ' ' VAL . 84.7 m-85 -116.38 125.07 51.55 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.926 -0.579 . . . . 4.13 109.981 175.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.49 ' HB3' ' HG2' ' B' ' 41' ' ' GLU . 14.3 ptp180 -101.41 142.09 33.31 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.749 -0.38 . . . . 4.84 110.57 177.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 51' ' ' GLN . . . . . 0.447 ' HB3' ' HG3' ' A' ' 88' ' ' LYS . 1.0 OUTLIER -116.51 164.88 13.91 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.175 0.512 . . . . 4.56 111.154 -179.56 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -124.12 123.02 39.4 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.391 -0.966 . . . . 2.45 108.391 175.097 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -89.52 116.72 27.9 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.934 0.397 . . . . 1.16 110.675 -176.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' PHE . . . . . 0.425 ' CE1' ' HB2' ' B' ' 19' ' ' SER . 84.8 t80 -83.81 94.89 8.29 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.697 -0.683 . . . . 3.56 109.629 -179.411 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -102.1 109.14 20.77 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.446 -0.797 . . . . 1.49 110.21 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 15.6 m -91.66 96.61 10.54 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.508 -0.923 . . . . 1.07 108.508 171.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -101.67 152.04 21.3 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.41 -0.814 . . . . 2.48 110.416 -168.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 6.1 t -82.09 116.34 21.63 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.929 -0.578 . . . . 1.73 110.32 -175.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -74.84 -47.86 28.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.855 -0.611 . . . . 3.49 110.405 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -160.63 125.51 3.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.132 -0.486 . . . . 2.58 110.638 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 40.4 t -79.06 135.13 36.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.338 -0.392 . . . . 2.76 110.056 178.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 19.7 m120 64.01 74.81 0.41 Allowed Pre-proline 0 C--N 1.329 -0.316 0 O-C-N 123.693 0.62 . . . . 2.59 111.092 178.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -61.42 -27.37 82.51 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.592 2.194 . . . . 2.57 112.599 179.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 29.4 m -123.39 161.22 25.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.388 -0.369 . . . . 2.53 110.205 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -88.69 40.43 0.97 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.413 0.625 . . . . 4.2 111.274 -175.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 50.2 m -150.06 22.17 0.86 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.609 -0.723 . . . . 3.9 109.37 175.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.56 -104.34 1.48 Allowed Glycine 0 N--CA 1.443 -0.864 0 CA-C-N 115.719 -0.673 . . . . 2.6 111.594 -176.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 93.2 m -135.0 169.05 18.02 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 110.231 -0.285 . . . . 1.74 110.231 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -67.46 125.76 27.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.795 0.331 . . . . 3.95 110.461 -175.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' GLY . . . . . 0.476 ' O ' ' HA ' ' A' ' 71' ' ' ILE . . . 99.73 -29.81 11.29 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.722 -0.751 . . . . 1.6 111.959 -179.651 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 71' ' ' ILE . . . . . 0.496 ' HA ' ' O ' ' A' ' 70' ' ' GLY . 30.8 mm -76.9 84.85 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.19 0.519 . . . . 1.65 110.299 -179.488 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -102.09 80.11 1.95 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.305 0.574 . . . . 3.32 109.561 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 45.4 t -147.52 138.32 23.44 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.743 -0.662 . . . . 4.63 110.249 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -91.03 -15.78 29.01 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.726 0.774 . . . . 3.06 109.073 174.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -78.74 -28.83 44.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.722 -1.126 . . . . 3.51 109.654 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . 81.6 m95 -113.25 117.85 33.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.8 -0.636 . . . . 3.17 111.525 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -95.96 136.41 36.44 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.089 -1.078 . . . . 2.7 108.089 169.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.653 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 4.7 m -121.79 148.67 44.36 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.875 0.369 . . . . 1.93 111.721 -171.676 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -154.36 156.01 36.12 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.684 -0.689 . . . . 3.73 109.16 171.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.559 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 25.2 m -99.06 139.46 34.66 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.974 0.416 . . . . 1.67 111.389 -172.316 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 8.9 t -138.69 146.92 42.16 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.734 -0.667 . . . . 2.25 109.49 177.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 14.0 p -91.33 125.65 36.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.103 0.477 . . . . 2.78 112.014 -175.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 88.6 m -76.93 138.28 39.59 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.334 -0.987 . . . . 2.69 108.334 170.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -124.71 132.44 53.38 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.73 -0.388 . . . . 3.71 110.375 -178.093 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.622 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 8.9 t -114.39 160.5 19.07 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.066 -0.515 . . . . 1.48 109.716 -178.464 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 86' ' ' PHE . . . . . 0.677 ' CE2' ' HB3' ' B' ' 103' ' ' ARG . 83.0 m-85 -120.58 117.45 27.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.833 0.349 . . . . 1.75 110.372 -176.358 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 87' ' ' VAL . . . . . 0.412 HG13 HD11 ' B' ' 104' ' ' ILE . 30.8 m -113.79 156.08 14.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.282 -0.417 . . . . 1.08 110.697 -179.014 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 88' ' ' LYS . . . . . 0.439 ' HG3' ' HB3' ' A' ' 51' ' ' GLN . 32.0 mmmt -84.47 113.24 21.06 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 116.327 -0.397 . . . . 3.82 110.212 177.267 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.71 146.07 50.69 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.918 -0.583 . . . . 1.13 109.961 177.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 90' ' ' LEU . . . . . 0.433 ' HB3' HG12 ' B' ' 42' ' ' VAL . 23.4 tp -77.97 104.49 8.56 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.652 -0.87 . . . . 1.45 108.652 176.646 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 91' ' ' THR . . . . . 0.444 HG22 ' HA ' ' B' ' 38' ' ' VAL . 67.1 p -112.74 145.39 40.61 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.121 -0.491 . . . . 1.15 110.453 -176.575 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 8.1 t -104.51 126.62 51.76 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.368 0.604 . . . . 1.32 110.357 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -70.84 -31.61 68.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.196 -0.911 . . . . 2.46 109.989 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -171.32 -58.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.134 -0.939 . . . . 3.09 108.568 178.145 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -125.86 -32.78 2.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.649 -0.705 . . . . 3.3 110.349 173.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -83.89 131.08 34.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.934 0.397 . . . . 2.74 110.744 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 97' ' ' ALA . . . . . 0.419 ' HB1' ' HG ' ' B' ' 90' ' ' LEU . . . -104.41 136.49 43.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.839 -0.619 . . . . 1.44 110.682 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.06 147.52 32.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.231 -0.441 . . . . 1.39 110.743 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -73.05 107.95 5.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.011 -0.54 . . . . 2.35 110.573 177.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 100' ' ' ARG . . . . . 0.408 HH21 ' CG ' ' B' ' 30' ' ' ASP . 12.3 mmm180 -114.68 163.84 14.89 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.347 -0.388 . . . . 3.48 110.56 -179.182 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.468 ' O ' ' HA ' ' B' ' 30' ' ' ASP . 75.9 m-85 -89.65 113.33 24.78 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.269 -0.641 . . . . 1.98 109.269 173.006 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 102' ' ' ILE . . . . . 0.467 ' O ' ' HA ' ' B' ' 86' ' ' PHE . 41.0 pt -113.47 144.44 21.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 C-N-CA 120.363 -0.535 . . . . 0.86 110.729 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 103' ' ' ARG . . . . . 0.677 ' HB3' ' CE2' ' B' ' 86' ' ' PHE . 19.0 ptp180 -93.92 131.04 39.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.524 -0.762 . . . . 3.72 111.251 -174.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 104' ' ' ILE . . . . . 0.436 ' N ' HD13 ' B' ' 104' ' ' ILE . 0.2 OUTLIER -131.53 160.21 42.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.847 -0.615 . . . . 0.83 110.545 174.582 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -68.81 123.25 20.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.444 -0.798 . . . . 1.69 110.577 -178.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 106' ' ' THR . . . . . 0.404 HG22 HG22 ' A' ' 106' ' ' THR . 2.4 m -96.48 -34.94 11.31 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.621 -0.718 . . . . 2.29 110.54 -177.446 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -179.38 160.49 1.0 Allowed 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.846 -0.616 . . . . 1.15 110.15 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 108' ' ' CYS . . . . . 0.559 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 40.0 t -113.11 100.9 8.95 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.676 -0.861 . . . . 1.56 108.676 171.737 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 109' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' B' ' 80' ' ' CYS . 21.9 m -94.94 152.14 3.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.032 -0.531 . . . . 1.08 110.913 -172.467 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.653 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 32.6 t -103.94 109.33 21.05 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.18 -0.674 . . . . 1.45 109.18 179.432 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' B' ' 78' ' ' SER . 13.3 m -86.17 153.17 3.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.334 -0.394 . . . . 1.52 110.697 -175.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 81.4 mt -108.95 137.54 46.7 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.802 -0.444 . . . . 1.67 109.802 177.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 43.1 t -132.25 144.41 50.6 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.14 -0.482 . . . . 2.62 110.1 178.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 . . . . . 0 C--N 1.323 -0.564 0 CA-C-O 121.241 0.544 . . . . 6.72 109.93 178.936 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.601 ' HB2' ' O ' ' B' ' 112' ' ' LEU . 62.9 m-85 . . . . . 0 CA--C 1.519 -0.25 0 N-CA-C 109.566 -0.531 . . . . 3.65 109.566 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.0 m -79.76 126.46 30.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.573 -0.739 . . . . 2.42 111.713 -172.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.4 m -64.03 -27.89 43.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 115.713 -0.676 . . . . 1.41 110.184 173.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.2 t -135.65 128.94 32.0 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.014 -0.994 . . . . 1.75 108.326 173.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -56.39 136.25 53.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.115 0.483 . . . . 2.87 111.064 -176.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.444 ' HB3' ' HB3' ' A' ' 108' ' ' CYS . 25.8 p -140.71 145.46 36.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.002 -0.545 . . . . 1.72 111.072 -174.333 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.52 ' HB ' ' NE ' ' A' ' 59' ' ' ARG . 4.0 p -119.9 116.43 50.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.065 -0.516 . . . . 1.51 111.039 -178.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.453 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 53.9 m -88.05 122.19 31.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.343 -0.389 . . . . 1.66 110.097 177.122 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.2 t -119.52 141.8 37.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.057 -0.52 . . . . 1.03 110.394 -177.307 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -104.62 97.07 7.02 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.404 -0.591 . . . . 1.61 109.404 173.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 56.4 t -71.73 119.04 17.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.487 -0.779 . . . . 0.96 110.359 -177.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.504 ' HA2' ' CD1' ' A' ' 52' ' ' TYR . . . -88.08 -6.75 74.79 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.986 -0.626 . . . . 1.27 112.57 -177.192 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -158.82 84.62 0.82 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.044 0.45 . . . . 3.02 110.342 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.401 ' HE3' ' HB2' ' A' ' 28' ' ' ALA . 58.8 tttp -80.94 138.52 36.1 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.414 -0.587 . . . . 1.32 109.414 175.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.3 p -87.39 -64.74 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.33 0.492 . . . . 1.82 112.33 -174.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.1 p -134.65 149.63 50.56 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.867 0.365 . . . . 1.01 111.616 -175.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.401 ' HB2' ' HE3' ' A' ' 25' ' ' LYS . . . -149.2 166.99 27.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.041 -0.527 . . . . 0.79 110.603 176.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.7 m -101.06 118.59 37.29 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.133 -0.485 . . . . 1.02 110.73 -179.463 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.421 ' OD2' ' HB3' ' A' ' 100' ' ' ARG . 21.9 t70 -71.54 158.33 36.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.662 -0.699 . . . . 1.85 109.454 175.708 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.8 tt -61.33 -18.92 19.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.876 -0.602 . . . . 1.33 111.587 -175.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -90.22 8.82 31.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.998 0.428 . . . . 2.22 110.869 178.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.99 22.04 56.01 Favored Glycine 0 N--CA 1.453 -0.191 0 CA-C-N 115.902 -0.59 . . . . 1.25 112.991 174.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -104.67 138.76 40.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.943 0.401 . . . . 2.14 111.165 -178.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -90.36 114.6 26.74 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.145 -0.687 . . . . 2.19 109.145 174.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.9 m -123.4 157.18 29.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.956 -0.565 . . . . 1.02 111.193 -174.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.404 ' HB ' ' CG2' ' A' ' 92' ' ' THR . 25.7 m -84.0 124.85 31.49 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.416 -0.811 . . . . 1.04 109.714 179.515 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.425 ' HA ' HG22 ' A' ' 91' ' ' THR . 42.1 t -89.09 137.84 20.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.151 -0.477 . . . . 1.1 111.303 -172.669 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.4 mt -111.54 116.34 30.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.999 -0.546 . . . . 1.91 109.721 176.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.453 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . . . -68.96 -23.22 64.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.263 0.554 . . . . 2.18 110.336 178.457 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.409 ' HB3' ' HE ' ' A' ' 50' ' ' ARG . 6.4 pt-20 -105.78 126.29 52.0 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.016 -0.993 . . . . 3.59 109.409 176.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.0 m -90.09 98.6 8.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.868 0.842 . . . . 2.4 110.398 -178.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -85.37 97.65 10.1 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.236 -0.893 . . . . 3.25 109.459 178.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.409 HG21 HG21 ' B' ' 44' ' ' ILE . 53.3 mt -94.53 -70.7 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.915 -0.584 . . . . 2.77 109.461 179.025 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -163.88 95.18 0.78 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.552 -0.749 . . . . 3.84 109.322 175.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.6 t30 74.88 -46.02 0.59 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.5 0.72 . . . . 4.76 111.045 -177.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.5 m -77.25 114.53 16.16 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.756 0.312 . . . . 3.33 110.22 177.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 16.7 t -135.88 137.53 48.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.766 -0.457 . . . . 2.37 109.766 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -153.61 154.16 33.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.956 0.408 . . . . 4.13 111.177 177.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.409 ' HE ' ' HB3' ' A' ' 41' ' ' GLU . 93.8 mtt180 -117.74 135.25 54.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.627 -0.715 . . . . 4.84 110.017 176.173 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -120.81 -2.83 9.76 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.356 -0.609 . . . . 4.56 109.356 174.002 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.504 ' CD1' ' HA2' ' A' ' 23' ' ' GLY . 13.3 m-30 71.05 175.79 0.29 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 114.92 -1.037 . . . . 2.46 110.453 -178.69 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.453 ' CE2' ' HA ' ' A' ' 40' ' ' ALA . 91.3 m-85 -117.35 127.47 54.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.935 0.398 . . . . 1.16 111.028 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -84.63 110.57 18.83 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.756 -0.656 . . . . 3.56 110.836 -178.182 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -125.15 116.52 22.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.128 -0.487 . . . . 1.49 109.875 178.017 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' A' ' 19' ' ' SER . 52.9 m -100.6 110.31 22.45 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.162 0.506 . . . . 1.07 109.82 179.025 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -103.2 155.27 18.55 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.65 -0.704 . . . . 2.48 110.734 -172.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 76.7 m -79.6 123.45 27.62 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.831 -0.622 . . . . 1.73 111.22 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.52 ' NE ' ' HB ' ' A' ' 18' ' ' VAL . 81.3 mtt180 -83.46 98.92 9.78 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.118 -0.697 . . . . 3.48 109.118 173.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 64.3 -165.69 0.23 Allowed 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.613 0.57 . . . . 2.58 110.239 -176.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.8 p -157.7 139.92 14.4 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 121.236 -0.186 . . . . 2.76 111.173 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.481 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 12.9 m120 63.52 74.15 0.45 Allowed Pre-proline 0 N--CA 1.468 0.462 0 O-C-N 123.935 0.772 . . . . 2.59 112.013 176.371 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -65.73 -21.29 58.65 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.422 2.082 . . . . 2.57 112.151 176.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.4 m -129.57 158.75 42.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.994 -0.548 . . . . 2.53 110.044 178.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' A' ' 66' ' ' SER . 0.3 OUTLIER -83.56 80.44 9.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.074 0.464 . . . . 4.19 109.928 -178.012 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 65' ' ' GLU . 9.4 t 174.14 -36.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.41 -0.959 . . . . 3.9 108.41 179.267 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.548 ' HA3' ' HB2' ' A' ' 78' ' ' SER . . . 164.56 -95.45 0.12 Allowed Glycine 0 N--CA 1.44 -1.066 0 CA-C-N 115.505 -0.77 . . . . 2.6 111.988 179.475 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 65.7 m -124.96 168.19 13.65 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.679 -0.489 . . . . 1.73 109.679 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -61.38 121.09 11.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.786 0.327 . . . . 3.94 110.293 -177.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' B' ' 71' ' ' ILE . . . 112.07 -32.14 6.52 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.098 -0.572 . . . . 1.61 111.77 -176.626 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 30.0 mm -79.61 125.75 38.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.704 0.288 . . . . 1.65 110.308 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -147.96 83.33 1.51 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.438 -0.578 . . . . 3.32 109.438 175.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.2 t -145.16 148.39 33.52 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.907 -0.588 . . . . 4.63 110.364 -175.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -96.91 -11.38 24.77 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.355 0.598 . . . . 3.06 109.405 174.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -86.89 -29.12 22.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.278 -0.874 . . . . 3.51 109.897 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.564 ' CE3' ' HB3' ' A' ' 112' ' ' LEU . 94.8 m95 -116.36 138.86 50.99 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.415 -0.811 . . . . 3.17 110.742 -177.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -116.26 133.32 56.15 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.102 -1.073 . . . . 2.69 108.102 167.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.548 ' HB2' ' HA3' ' A' ' 67' ' ' GLY . 1.4 m -120.58 150.08 41.43 Favored 'General case' 0 C--N 1.315 -0.929 0 C-N-CA 120.369 -0.533 . . . . 1.93 110.741 -175.743 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.5 p90 -155.56 161.72 40.81 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.845 -0.616 . . . . 3.73 109.966 176.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.535 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 9.2 m -84.39 115.2 22.4 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.382 -0.826 . . . . 1.67 110.342 -173.528 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.8 m -124.79 133.26 53.2 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.105 -0.498 . . . . 2.24 110.02 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.479 ' HB ' ' HB2' ' A' ' 105' ' ' ASP . 3.2 p -81.48 131.57 35.28 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.096 0.474 . . . . 2.78 111.331 178.605 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.6 p -76.54 123.27 25.81 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.008 -0.542 . . . . 2.69 109.642 176.275 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.556 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 31.3 m80 -105.09 115.88 31.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.241 -0.436 . . . . 3.71 109.937 -176.388 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.71 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 6.2 t -118.84 162.8 17.88 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.978 -0.378 . . . . 1.48 109.978 -179.125 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -102.5 116.78 33.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.809 0.338 . . . . 1.75 110.216 -176.169 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 101' ' ' PHE . 21.6 m -109.7 142.12 23.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.985 -0.552 . . . . 1.08 110.962 -178.057 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -77.45 103.11 7.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.61 -0.723 . . . . 3.82 110.902 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.04 147.96 50.95 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.508 -0.769 . . . . 1.13 110.433 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.7 tp -72.66 118.0 15.04 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.89 -0.782 . . . . 1.45 108.89 174.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.425 HG22 ' HA ' ' A' ' 38' ' ' VAL . 76.8 p -127.0 158.01 38.03 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 116.223 -0.444 . . . . 1.14 109.961 -178.032 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.404 ' CG2' ' HB ' ' A' ' 37' ' ' THR . 11.7 t -120.45 121.4 38.42 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.768 0.794 . . . . 1.32 110.224 177.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -69.32 -43.65 73.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.83 -1.077 . . . . 2.47 110.421 178.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -165.51 -69.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 3.09 110.596 177.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -100.42 -29.84 12.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.912 0.387 . . . . 3.29 111.025 -178.31 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -108.58 151.08 26.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.915 0.388 . . . . 2.74 111.371 -176.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -114.6 135.64 53.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.752 -0.658 . . . . 1.44 109.777 175.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.35 159.35 43.46 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.654 0.264 . . . . 1.38 110.643 -177.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -74.8 114.6 13.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.166 -0.47 . . . . 2.35 110.324 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.421 ' HB3' ' OD2' ' A' ' 30' ' ' ASP . 74.5 mmt-85 -122.08 173.18 7.72 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.992 -0.549 . . . . 3.48 109.781 178.411 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' A' ' 87' ' ' VAL . 15.5 m-85 -119.73 104.42 10.22 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.03 -0.73 . . . . 1.98 109.03 -174.264 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 30.0 pt -111.97 143.17 22.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.024 0.44 . . . . 0.86 111.464 -168.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.71 ' HA ' ' O ' ' A' ' 85' ' ' THR . 0.1 OUTLIER -79.33 128.39 33.27 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.454 -0.793 . . . . 3.71 111.128 -177.771 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.556 ' O ' ' HA ' ' A' ' 84' ' ' HIS . 45.9 pt -130.12 153.0 38.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.564 -0.744 . . . . 0.83 110.104 175.418 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.479 ' HB2' ' HB ' ' A' ' 82' ' ' THR . 4.3 p-10 -82.9 103.51 12.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.581 0.705 . . . . 1.69 110.071 175.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.7 m -90.85 -31.18 16.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.261 -0.881 . . . . 2.29 112.04 -170.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.447 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -150.21 155.47 39.81 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.627 0.251 . . . . 1.14 110.557 -178.687 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.535 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 41.0 t -108.1 108.68 19.87 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.345 -0.613 . . . . 1.56 109.345 176.607 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 17.7 m -109.21 159.1 8.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.901 -0.591 . . . . 1.07 110.344 -174.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.449 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 13.4 t -97.81 107.67 20.22 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.75 -0.833 . . . . 1.45 108.75 176.093 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.491 ' O ' ' HA ' ' A' ' 78' ' ' SER . 27.7 m -93.37 153.47 3.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.32 -0.4 . . . . 1.52 110.83 -175.241 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.564 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . 97.5 mt -102.08 141.78 34.39 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.08 -0.509 . . . . 1.67 110.687 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.2 t -122.66 138.59 54.55 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.741 -0.837 . . . . 2.62 108.741 170.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 C--N 1.329 -0.323 0 O-C-N 123.443 0.464 . . . . 6.73 111.915 -173.278 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 12' ' ' PHE . . . . . 0.466 ' HB2' ' O ' ' A' ' 112' ' ' LEU . 61.8 m-85 . . . . . 0 CA--C 1.519 -0.244 0 N-CA-C 109.621 -0.511 . . . . 3.65 109.621 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 22.9 m -79.72 126.09 30.49 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.625 -0.716 . . . . 2.42 111.699 -172.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 19.1 m -63.95 -27.87 43.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 115.733 -0.667 . . . . 1.41 110.23 173.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 48.0 t -135.55 129.27 32.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.818 -1.083 . . . . 1.75 108.172 173.511 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -56.72 136.33 55.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.0 0.429 . . . . 2.87 111.155 -177.071 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' SER . . . . . 0.434 ' HB3' ' HB3' ' B' ' 108' ' ' CYS . 29.7 p -140.49 145.62 37.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.121 -0.49 . . . . 1.72 111.062 -174.318 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.521 ' HB ' ' NE ' ' B' ' 59' ' ' ARG . 3.9 p -120.16 116.47 50.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.206 -0.452 . . . . 1.51 110.99 -178.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.444 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 50.6 m -88.44 121.52 30.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.319 -0.4 . . . . 1.66 110.313 177.305 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 50.7 t -118.88 142.12 35.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.977 -0.556 . . . . 1.03 110.403 -177.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -104.75 97.17 7.1 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.37 -0.604 . . . . 1.61 109.37 173.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 57.3 t -72.01 118.89 17.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.395 -0.82 . . . . 0.96 110.269 -177.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.493 ' HA2' ' CD1' ' B' ' 52' ' ' TYR . . . -88.16 -6.66 74.61 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.008 -0.615 . . . . 1.27 112.667 -177.036 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -158.87 84.63 0.81 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.059 0.457 . . . . 3.01 110.321 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -80.94 138.77 36.11 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.328 -0.619 . . . . 1.32 109.328 175.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 9.3 p -87.79 -64.46 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.247 0.462 . . . . 1.82 112.247 -174.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.1 p -135.01 149.48 50.18 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.956 0.408 . . . . 1.0 111.696 -175.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -149.38 166.76 28.07 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.003 -0.544 . . . . 0.79 110.564 177.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 7.0 m -100.79 118.77 37.54 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.984 -0.553 . . . . 1.01 110.579 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -71.81 158.13 36.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.619 -0.719 . . . . 1.84 109.479 175.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.8 tt -61.39 -18.58 18.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.905 -0.589 . . . . 1.33 111.715 -175.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -90.34 8.44 33.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.974 0.416 . . . . 2.22 110.807 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.72 23.24 53.81 Favored Glycine 0 N--CA 1.453 -0.2 0 CA-C-N 115.978 -0.555 . . . . 1.25 113.059 174.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -105.5 138.87 40.99 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.653 0.263 . . . . 2.14 111.197 -178.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -90.57 114.76 27.07 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.11 -0.7 . . . . 2.19 109.11 174.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 19.9 m -123.41 157.36 29.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.999 -0.546 . . . . 1.01 111.171 -174.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' THR . . . . . 0.414 ' HB ' HG23 ' B' ' 92' ' ' THR . 26.0 m -84.26 124.58 31.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.498 -0.774 . . . . 1.04 109.771 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.43 ' HA ' HG22 ' B' ' 91' ' ' THR . 42.4 t -88.8 137.95 20.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 116.171 -0.468 . . . . 1.1 111.304 -172.584 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 69.3 mt -111.63 116.18 30.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.13 -0.486 . . . . 1.91 109.717 176.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.45 ' HA ' ' CE2' ' B' ' 53' ' ' PHE . . . -68.6 -23.09 64.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.447 0.641 . . . . 2.18 110.462 178.33 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 41' ' ' GLU . . . . . 0.401 ' HB3' ' HE ' ' B' ' 50' ' ' ARG . 6.4 pt-20 -106.09 126.19 51.91 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.938 -1.028 . . . . 3.59 109.39 177.002 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 19.1 m -90.11 98.8 8.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 121.904 0.859 . . . . 2.39 110.42 -178.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -85.73 97.52 10.19 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.206 -0.906 . . . . 3.25 109.39 178.078 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.409 HG21 HG21 ' A' ' 44' ' ' ILE . 53.0 mt -94.33 -70.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.781 -0.645 . . . . 2.77 109.428 178.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -164.39 95.15 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.519 -0.764 . . . . 3.84 109.155 175.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 10.1 t30 74.83 -45.67 0.58 Allowed 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.893 0.746 . . . . 4.76 111.313 -177.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 14.0 m -78.13 114.48 17.04 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.058 -0.349 . . . . 3.33 110.058 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 17.0 t -135.8 137.95 48.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.96 -0.564 . . . . 2.38 109.621 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -153.82 154.52 34.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.93 0.395 . . . . 4.13 111.015 177.175 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.401 ' HE ' ' HB3' ' B' ' 41' ' ' GLU . 93.7 mtt180 -117.75 135.2 54.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.639 -0.709 . . . . 4.84 109.999 176.041 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -120.9 -2.22 9.79 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.363 -0.606 . . . . 4.56 109.363 173.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' TYR . . . . . 0.493 ' CD1' ' HA2' ' B' ' 23' ' ' GLY . 13.5 m-30 70.75 175.74 0.29 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 114.777 -1.101 . . . . 2.45 110.463 -178.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 53' ' ' PHE . . . . . 0.45 ' CE2' ' HA ' ' B' ' 40' ' ' ALA . 91.5 m-85 -117.33 127.46 54.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.801 0.334 . . . . 1.16 111.036 179.697 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -84.69 110.64 18.91 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.81 -0.632 . . . . 3.56 110.856 -178.263 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -125.05 116.73 22.58 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.083 -0.508 . . . . 1.49 109.887 177.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' B' ' 19' ' ' SER . 52.7 m -100.6 110.44 22.58 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.101 0.477 . . . . 1.07 109.883 178.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -103.23 155.13 18.66 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.706 -0.679 . . . . 2.48 110.704 -172.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 75.7 m -79.62 123.33 27.53 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.901 -0.59 . . . . 1.73 111.124 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' ARG . . . . . 0.521 ' NE ' ' HB ' ' B' ' 18' ' ' VAL . 81.2 mtt180 -83.47 98.91 9.78 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.109 -0.701 . . . . 3.49 109.109 174.132 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . 64.59 -165.7 0.23 Allowed 'General case' 0 C--O 1.233 0.226 0 O-C-N 123.594 0.559 . . . . 2.58 110.125 -176.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 9.8 p -157.81 140.08 14.41 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 121.188 -0.205 . . . . 2.76 111.2 -179.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' ASN . . . . . 0.476 ' HA ' ' O ' ' B' ' 67' ' ' GLY . 12.6 m120 63.09 74.66 0.44 Allowed Pre-proline 0 N--CA 1.468 0.429 0 O-C-N 123.842 0.714 . . . . 2.59 111.774 176.687 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -65.52 -22.16 59.09 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.394 2.063 . . . . 2.57 112.055 176.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 35.4 m -129.06 158.65 41.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.03 -0.532 . . . . 2.53 110.062 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' B' ' 66' ' ' SER . 0.3 OUTLIER -83.53 80.8 8.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.134 0.493 . . . . 4.2 109.747 -178.211 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 66' ' ' SER . . . . . 0.436 ' HB2' ' O ' ' B' ' 65' ' ' GLU . 9.5 t 173.93 -36.53 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.88 -1.054 . . . . 3.9 108.426 178.729 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.533 ' HA3' ' HB2' ' B' ' 78' ' ' SER . . . 164.45 -95.59 0.12 Allowed Glycine 0 N--CA 1.442 -0.942 0 CA-C-N 115.432 -0.804 . . . . 2.6 112.045 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 65.3 m -124.83 168.26 13.49 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.657 -0.497 . . . . 1.74 109.657 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -61.51 120.82 11.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.343 . . . . 3.95 110.41 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 112.68 -32.86 5.95 Favored Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 111.483 -0.647 . . . . 1.6 111.483 -176.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' ILE . . . . . 0.404 ' HA ' ' O ' ' A' ' 70' ' ' GLY . 30.0 mm -78.97 125.57 38.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 110.259 -0.274 . . . . 1.65 110.259 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -147.73 83.27 1.53 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.424 -0.584 . . . . 3.32 109.424 175.091 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 42.3 t -145.15 148.04 33.15 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.016 -0.538 . . . . 4.63 110.479 -175.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -96.43 -11.69 25.3 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.302 -0.629 . . . . 3.06 109.302 174.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -86.81 -28.98 22.61 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.512 -0.767 . . . . 3.51 109.856 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' TRP . . . . . 0.573 ' CE3' ' HB3' ' B' ' 112' ' ' LEU . 95.0 m95 -116.57 138.56 51.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.554 -0.748 . . . . 3.17 110.892 -177.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -115.9 133.25 56.22 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.111 -1.07 . . . . 2.7 108.111 167.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 78' ' ' SER . . . . . 0.533 ' HB2' ' HA3' ' B' ' 67' ' ' GLY . 1.4 m -120.55 149.94 41.64 Favored 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 120.345 -0.542 . . . . 1.93 110.78 -175.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -155.44 161.86 40.88 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.769 -0.65 . . . . 3.73 110.003 176.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' CYS . . . . . 0.544 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 9.0 m -84.45 115.16 22.41 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.364 -0.835 . . . . 1.67 110.44 -173.592 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 88.1 m -124.72 133.24 53.25 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.069 -0.514 . . . . 2.25 110.097 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.488 ' HB ' ' HB2' ' B' ' 105' ' ' ASP . 3.0 p -81.55 131.53 35.28 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-O 120.977 0.417 . . . . 2.78 111.282 178.784 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 15.6 p -76.61 123.54 26.26 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 116.136 -0.483 . . . . 2.69 109.735 176.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 84' ' ' HIS . . . . . 0.537 ' HA ' ' O ' ' B' ' 104' ' ' ILE . 31.5 m80 -105.31 115.76 30.81 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.809 -0.441 . . . . 3.71 109.809 -176.14 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.71 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 6.2 t -118.91 162.81 17.88 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.066 -0.346 . . . . 1.48 110.066 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -102.42 116.74 33.25 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.867 0.365 . . . . 1.75 110.212 -176.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 87' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' B' ' 101' ' ' PHE . 21.7 m -109.62 142.32 22.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.11 -0.496 . . . . 1.08 110.919 -178.101 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -77.74 103.16 7.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.61 -0.723 . . . . 3.82 110.849 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.09 147.95 50.99 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.417 -0.81 . . . . 1.13 110.32 -179.418 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 15.6 tp -72.68 117.77 14.78 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.882 -0.784 . . . . 1.45 108.882 174.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 91' ' ' THR . . . . . 0.43 HG22 ' HA ' ' B' ' 38' ' ' VAL . 77.7 p -126.97 158.01 38.0 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.211 -0.449 . . . . 1.15 109.925 -178.061 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 92' ' ' THR . . . . . 0.414 HG23 ' HB ' ' B' ' 37' ' ' THR . 12.0 t -120.32 121.32 38.36 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.763 0.792 . . . . 1.32 110.222 178.135 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -68.93 -43.79 74.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.975 -1.011 . . . . 2.46 110.461 177.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -165.57 -70.09 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.105 -0.498 . . . . 3.09 110.605 177.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -99.61 -30.48 12.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.874 0.368 . . . . 3.3 111.161 -178.449 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -108.19 151.07 26.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.826 0.346 . . . . 2.74 111.383 -176.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -114.85 135.13 54.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.756 -0.657 . . . . 1.44 109.662 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.03 158.87 43.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.752 0.31 . . . . 1.39 110.485 -177.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -74.12 114.99 13.08 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.119 -0.491 . . . . 2.35 110.474 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 74.6 mmt-85 -122.45 173.11 7.86 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.956 -0.566 . . . . 3.48 109.852 178.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 101' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' B' ' 87' ' ' VAL . 15.4 m-85 -119.66 104.52 10.34 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.136 -0.69 . . . . 1.98 109.136 -174.462 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 30.2 pt -111.89 143.21 22.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.181 -0.463 . . . . 0.86 111.517 -168.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 103' ' ' ARG . . . . . 0.71 ' HA ' ' O ' ' B' ' 85' ' ' THR . 0.1 OUTLIER -79.34 128.55 33.47 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.529 -0.76 . . . . 3.72 111.122 -177.872 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 104' ' ' ILE . . . . . 0.537 ' O ' ' HA ' ' B' ' 84' ' ' HIS . 45.9 pt -130.22 153.05 38.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.447 -0.797 . . . . 0.83 110.098 175.374 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 105' ' ' ASP . . . . . 0.488 ' HB2' ' HB ' ' B' ' 82' ' ' THR . 4.9 p-10 -83.0 103.47 12.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.523 0.677 . . . . 1.69 109.988 176.029 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 8.6 m -90.8 -31.32 16.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.323 -0.853 . . . . 2.29 112.059 -170.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 107' ' ' ALA . . . . . 0.461 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -150.07 155.3 39.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.683 -0.235 . . . . 1.15 110.618 -178.546 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 108' ' ' CYS . . . . . 0.544 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 42.0 t -107.75 108.87 20.27 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.29 -0.633 . . . . 1.56 109.29 176.448 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 17.6 m -109.28 159.0 8.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.044 -0.525 . . . . 1.08 110.424 -175.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 13.6 t -97.73 107.58 20.11 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.727 -0.842 . . . . 1.45 108.727 176.195 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.479 ' O ' ' HA ' ' B' ' 78' ' ' SER . 27.2 m -93.33 153.58 3.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.295 -0.411 . . . . 1.52 110.795 -175.214 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.601 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 98.3 mt -102.03 142.25 33.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.973 -0.558 . . . . 1.67 110.638 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 32.7 t -123.1 138.51 54.65 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.713 -0.847 . . . . 2.62 108.713 170.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 6.72 111.948 -173.241 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.477 0.876 0 CA-C-O 120.866 0.365 . . . . 13.98 110.536 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 p -97.88 20.91 11.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.104 0.478 . . . . 12.75 111.039 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.4 p -84.35 44.49 1.03 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.085 -0.507 . . . . 11.35 111.625 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 47.8 p-80 -147.2 109.44 3.96 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.996 -0.547 . . . . 10.28 110.085 178.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -83.24 41.34 1.07 Allowed 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.596 2.198 . . . . 7.63 112.055 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.0 t 54.86 46.92 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 115.757 -0.656 . . . . 6.65 109.632 -177.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 54.7 t80 65.44 -69.62 0.1 Allowed 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.037 -0.983 . . . . 7.27 110.717 -174.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -148.87 51.23 0.98 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.142 -1.058 . . . . 7.72 108.142 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 21.3 ptp 45.69 39.16 4.77 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 114.911 -1.04 . . . . 5.34 111.326 -174.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.63 -135.77 4.96 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.126 -0.943 . . . . 3.98 110.825 -176.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 71.91 -43.8 0.57 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.445 0.698 . . . . 4.63 111.817 177.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -60.98 143.32 55.49 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.846 -0.428 . . . . 3.65 109.846 175.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.8 t -121.45 175.37 6.22 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.822 -0.351 . . . . 2.42 110.488 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.2 m -61.78 -28.04 43.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.133 0.492 . . . . 1.41 110.839 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.5 t -135.47 156.8 48.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.512 -0.767 . . . . 1.75 109.269 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -96.5 115.47 27.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.21 0.528 . . . . 2.87 110.585 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.6 p -112.66 148.98 33.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.6 -0.727 . . . . 1.72 110.795 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -123.7 117.7 51.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.327 -0.397 . . . . 1.51 110.127 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.464 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 8.1 t -103.58 116.72 32.89 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.766 -0.457 . . . . 1.66 109.766 -178.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.3 t -119.93 138.16 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.089 -0.505 . . . . 1.03 110.51 -177.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -90.76 95.19 10.01 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.126 -0.694 . . . . 1.61 109.126 174.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.3 t -88.1 129.37 39.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.169 -0.923 . . . . 0.96 110.908 -173.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -114.44 -16.01 7.9 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 110.941 -0.864 . . . . 1.27 110.941 173.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -89.22 21.89 3.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.949 0.404 . . . . 3.02 110.878 -176.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.566 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 40.1 tttp -76.38 111.64 12.04 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.623 -0.88 . . . . 1.32 108.623 176.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.471 ' O ' ' HA ' ' A' ' 37' ' ' THR . 9.1 t -97.98 -17.23 19.3 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.564 0.221 . . . . 1.82 111.595 -173.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 p -144.52 139.72 28.41 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.763 0.316 . . . . 1.01 111.145 -178.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.464 ' HB1' ' HB ' ' A' ' 102' ' ' ILE . . . -154.0 153.73 32.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.694 -0.685 . . . . 0.79 110.021 176.044 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.0 m -95.21 121.1 36.5 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.544 -0.298 . . . . 1.02 110.679 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.449 ' OD1' ' HB3' ' A' ' 100' ' ' ARG . 21.5 t70 -67.39 161.18 25.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.926 -0.579 . . . . 1.85 109.67 175.046 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.0 tt -59.8 -25.44 32.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.306 -0.406 . . . . 1.33 111.6 -176.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -82.52 -2.43 53.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.933 0.397 . . . . 2.22 110.835 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.84 25.23 25.52 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.966 -0.635 . . . . 1.25 112.188 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -99.31 119.04 37.28 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.496 -0.187 . . . . 2.14 110.496 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -78.82 113.44 16.91 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.588 -0.893 . . . . 2.19 108.588 176.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.7 m -122.48 157.12 27.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-O 121.281 0.562 . . . . 1.02 111.462 -172.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.499 ' HB ' HG23 ' A' ' 92' ' ' THR . 31.7 m -86.25 119.09 26.15 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 115.215 -0.902 . . . . 1.04 109.797 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.566 ' HB ' ' O ' ' A' ' 25' ' ' LYS . 41.7 t -89.6 138.99 18.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.696 -0.684 . . . . 1.1 110.625 -176.023 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 42.5 mt -100.28 137.41 38.74 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.956 -0.565 . . . . 1.91 109.48 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.11 -28.82 67.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.495 0.664 . . . . 2.18 110.19 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -129.51 140.09 51.35 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.994 -1.003 . . . . 3.59 109.136 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.429 HG12 ' HB3' ' A' ' 90' ' ' LEU . 33.6 m -89.49 115.48 29.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.578 0.704 . . . . 2.4 110.48 -177.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -102.95 99.35 9.24 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.303 -0.862 . . . . 3.25 109.434 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.6 mt -82.64 -81.09 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.862 -0.422 . . . . 2.77 109.862 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -124.81 -68.09 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.48 -0.563 . . . . 3.84 109.48 173.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -130.35 33.58 4.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.871 -0.604 . . . . 4.76 109.965 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.8 m -139.89 124.1 17.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.841 -0.618 . . . . 3.33 109.856 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 40.8 t -118.39 118.41 57.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.337 -0.392 . . . . 2.37 110.666 -179.296 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -120.81 136.12 54.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.429 -0.35 . . . . 4.13 110.645 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -80.51 105.73 11.98 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.932 -0.766 . . . . 4.84 108.932 175.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.572 ' HB2' ' CD ' ' B' ' 88' ' ' LYS . 28.9 pt20 -82.68 -55.25 4.55 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.375 0.509 . . . . 4.56 112.375 -170.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 64.01 161.12 0.11 Allowed 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.452 0.644 . . . . 2.46 111.819 -176.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -134.56 131.54 38.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.96 -0.564 . . . . 1.16 110.686 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -84.43 94.94 8.63 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.468 0.652 . . . . 3.56 110.023 177.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.524 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 19.5 mt-10 -101.17 112.45 24.94 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.929 -0.578 . . . . 1.49 110.054 -179.234 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 19' ' ' SER . 19.8 m -99.88 104.86 16.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.166 -0.925 . . . . 1.07 110.133 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -103.39 165.04 11.27 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.857 -0.611 . . . . 2.48 110.376 -175.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 70.6 m -87.79 119.26 27.95 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.94 -0.573 . . . . 1.73 110.232 177.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -69.38 -31.04 69.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.517 0.675 . . . . 3.48 109.654 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -144.41 135.7 25.44 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.978 -1.01 . . . . 2.58 109.104 176.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.9 p -78.9 -21.75 46.95 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.273 0.559 . . . . 2.76 110.007 177.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.8 m-20 -146.86 95.77 4.44 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 114.984 -1.007 . . . . 2.59 109.042 176.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.72 -33.55 88.0 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.47 2.113 . . . . 2.57 111.843 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.2 m -122.21 154.4 26.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.075 -0.511 . . . . 2.53 109.733 174.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -77.67 67.45 3.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.026 0.441 . . . . 4.19 110.825 -176.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.413 ' HB2' ' CB ' ' A' ' 73' ' ' SER . 81.5 p -179.5 -33.29 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.246 -0.888 . . . . 3.9 109.932 -179.26 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 169.05 -112.11 0.46 Allowed Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.811 -0.631 . . . . 2.6 111.68 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 95.7 m -117.29 161.01 20.19 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.976 -0.379 . . . . 1.73 109.976 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 69' ' ' ARG . 31.7 mtm180 -68.97 132.2 46.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.428 -0.351 . . . . 3.94 110.902 -176.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.55 -28.68 8.03 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.043 -0.599 . . . . 1.61 112.671 178.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.3 mm -69.89 134.64 29.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.835 0.35 . . . . 1.65 111.405 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -68.74 95.09 0.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.148 -0.686 . . . . 3.32 109.148 172.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.611 ' HA ' ' O ' ' A' ' 76' ' ' TRP . 15.8 m -78.24 9.18 4.01 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.12 -0.491 . . . . 4.63 111.599 -172.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -90.87 -39.77 12.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.18 0.514 . . . . 3.06 109.983 176.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -100.56 -27.86 13.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.749 -0.66 . . . . 3.51 110.389 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.611 ' O ' ' HA ' ' A' ' 73' ' ' SER . 99.6 m95 -117.63 122.85 44.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.226 0.536 . . . . 3.17 111.227 -178.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -93.04 135.07 34.55 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.153 -1.054 . . . . 2.69 108.153 170.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.471 ' HA ' ' O ' ' A' ' 111' ' ' VAL . 1.4 m -132.38 149.36 52.37 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.709 -0.396 . . . . 1.93 111.339 -172.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.9 p90 -158.25 152.33 24.05 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.821 -0.627 . . . . 3.73 109.66 170.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.606 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 38.2 m -88.34 115.02 25.54 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.6 -0.727 . . . . 1.67 110.859 -176.268 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.6 m -103.77 127.69 51.22 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.638 -0.71 . . . . 2.24 109.81 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.7 m -85.15 115.72 23.1 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.009 -0.367 . . . . 2.78 110.009 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.6 p -81.96 134.01 35.35 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 120.978 0.418 . . . . 2.69 110.972 -175.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -104.17 136.7 43.3 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.981 -0.554 . . . . 3.71 110.333 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.633 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 11.7 t -132.48 163.18 29.38 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.421 -0.585 . . . . 1.48 109.421 177.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.453 ' HB3' ' HB3' ' A' ' 101' ' ' PHE . 91.6 m-85 -107.34 116.87 32.7 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.918 0.39 . . . . 1.75 110.07 -176.137 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 101' ' ' PHE . 22.1 m -109.41 139.04 33.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.342 0.591 . . . . 1.08 111.764 -175.114 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.561 ' CD ' ' HB2' ' B' ' 51' ' ' GLN . 10.0 pttp -67.13 103.47 1.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.706 -1.133 . . . . 3.82 111.359 177.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.87 151.83 50.01 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.354 -0.839 . . . . 1.13 110.7 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.429 ' HB3' HG12 ' A' ' 42' ' ' VAL . 23.1 tp -81.8 109.91 16.62 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.831 -0.803 . . . . 1.45 108.831 172.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 47.6 p -128.51 155.39 44.93 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.092 -0.504 . . . . 1.14 110.381 -175.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.499 HG23 ' HB ' ' A' ' 37' ' ' THR . 9.7 t -117.65 123.43 46.1 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.25 0.548 . . . . 1.32 110.152 178.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -74.59 -19.09 60.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.956 -0.566 . . . . 2.47 110.108 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -166.11 -73.0 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.769 -0.651 . . . . 3.09 109.617 177.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -136.33 25.6 3.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 3.29 110.836 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -134.92 106.63 6.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.246 -0.434 . . . . 2.74 110.639 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.82 119.39 18.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.153 -0.476 . . . . 1.44 110.239 177.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -140.82 150.99 44.0 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.098 -0.501 . . . . 1.38 110.577 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -77.23 111.05 12.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.021 -0.536 . . . . 2.35 110.485 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.449 ' HB3' ' OD1' ' A' ' 30' ' ' ASP . 42.7 mmt-85 -125.04 178.13 5.69 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.836 -0.62 . . . . 3.48 110.069 -178.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.453 ' HB3' ' HB3' ' A' ' 86' ' ' PHE . 77.3 m-85 -117.4 108.97 16.21 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.253 -0.647 . . . . 1.98 109.253 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.464 ' HB ' ' HB1' ' A' ' 28' ' ' ALA . 32.4 pt -111.78 144.29 19.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.25 0.548 . . . . 0.86 111.358 -171.196 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.633 ' HA ' ' O ' ' A' ' 85' ' ' THR . 16.1 ptt180 -74.85 119.88 19.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.299 -0.864 . . . . 3.71 111.639 -176.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 40.9 pt -122.91 160.6 25.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.167 -0.924 . . . . 0.83 109.137 171.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.524 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 61.3 m-20 -81.46 113.32 19.44 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.103 -0.703 . . . . 1.69 109.103 176.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.4 t -95.47 -31.28 13.43 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.742 -0.383 . . . . 2.29 111.827 -172.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -157.05 166.08 34.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.107 0.48 . . . . 1.14 111.684 -176.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.606 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 44.3 t -124.93 106.29 9.87 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.746 -0.835 . . . . 1.56 108.746 176.25 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 18.8 m -105.46 142.29 18.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.045 0.45 . . . . 1.07 111.262 -172.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.424 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 40.9 t -89.82 114.01 25.68 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.864 -0.791 . . . . 1.45 108.864 173.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.471 ' O ' ' HA ' ' A' ' 78' ' ' SER . 32.9 m -94.6 144.81 9.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 C-N-CA 120.697 -0.401 . . . . 1.52 110.213 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.55 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . 85.4 mt -113.24 138.8 49.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.059 -0.519 . . . . 1.67 110.333 -178.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.6 t -133.07 148.58 52.18 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.786 -0.643 . . . . 2.62 109.389 175.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -79.74 7.81 7.87 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 121.275 -0.17 . . . . 6.73 110.866 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt 46.9 36.35 3.91 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.261 1.024 . . . . 4.59 111.659 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -127.02 109.93 12.42 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.515 -0.766 . . . . 4.5 109.928 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 23.3 p -83.17 151.75 25.56 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.347 -0.388 . . . . 5.74 110.674 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.62 -0.705 . . . . 8.67 109.785 -179.673 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.473 0.696 0 CA-C-O 120.742 0.306 . . . . 13.98 110.293 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 12.4 p -97.87 19.7 13.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.072 0.463 . . . . 12.76 110.919 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 1.5 p -83.19 44.23 0.93 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.23 0.538 . . . . 11.36 111.679 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -146.92 109.31 4.03 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.102 -0.499 . . . . 10.29 110.17 178.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -83.05 41.37 1.09 Allowed 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.558 2.172 . . . . 7.63 111.982 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 8.9 t 54.67 47.01 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 115.69 -0.687 . . . . 6.65 109.626 -177.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 54.4 t80 65.51 -69.67 0.1 Allowed 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.085 -0.961 . . . . 7.27 110.716 -175.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 32.9 t60 -148.94 51.18 0.98 Allowed 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.168 -1.049 . . . . 7.72 108.168 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 21.2 ptp 45.82 39.84 5.81 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 114.968 -1.015 . . . . 5.34 111.153 -174.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.75 -135.64 5.0 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.163 -0.926 . . . . 3.98 110.956 -176.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 71.91 -44.0 0.58 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.447 0.699 . . . . 4.62 111.902 177.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -60.86 143.53 54.65 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.841 -0.429 . . . . 3.65 109.841 175.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 20.8 t -121.9 175.32 6.37 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 120.933 -0.307 . . . . 2.42 110.362 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 31.1 m -61.84 -28.0 43.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.14 0.495 . . . . 1.41 110.857 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 49.3 t -135.44 156.62 48.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.519 -0.764 . . . . 1.75 109.356 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -96.18 115.52 27.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.031 0.443 . . . . 2.87 110.612 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 20.1 p -112.59 149.25 33.04 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.768 -0.651 . . . . 1.72 110.656 -178.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -123.88 117.6 51.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.242 -0.435 . . . . 1.51 110.203 177.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.47 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 8.1 t -103.38 116.65 32.82 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.849 -0.426 . . . . 1.66 109.849 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 60.5 t -119.78 138.16 51.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.247 -0.433 . . . . 1.03 110.645 -177.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 81.4 m95 -90.93 95.14 9.97 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.591 0.71 . . . . 1.61 109.09 174.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 48.5 t -88.21 129.48 39.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.111 -0.95 . . . . 0.96 110.898 -173.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -114.49 -16.29 7.7 Favored Glycine 0 N--CA 1.444 -0.796 0 N-CA-C 110.917 -0.873 . . . . 1.27 110.917 173.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -88.62 21.66 2.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 3.01 110.843 -176.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.557 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 40.2 tttp -76.14 111.51 11.63 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.747 -0.834 . . . . 1.32 108.747 176.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.481 ' O ' ' HA ' ' B' ' 37' ' ' THR . 9.5 t -97.82 -17.57 19.25 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 111.549 0.204 . . . . 1.82 111.549 -173.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.4 p -144.13 139.79 29.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.795 0.331 . . . . 1.0 111.17 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.484 ' HB1' ' HB ' ' B' ' 102' ' ' ILE . . . -153.85 153.51 32.23 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.846 -0.616 . . . . 0.79 110.052 176.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 3.0 m -95.17 120.99 36.34 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.572 -0.286 . . . . 1.01 110.757 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ASP . . . . . 0.468 ' OD1' ' HB3' ' B' ' 100' ' ' ARG . 21.4 t70 -67.3 160.89 26.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.902 -0.59 . . . . 1.84 109.742 175.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.7 tt -59.69 -25.33 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.25 -0.432 . . . . 1.33 111.599 -176.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -82.89 -1.47 52.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.866 0.365 . . . . 2.22 110.923 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.31 24.56 28.63 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.827 -0.702 . . . . 1.25 112.217 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -98.98 118.73 36.43 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.892 -0.181 . . . . 2.14 110.555 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 28.7 tp10 -78.6 113.47 16.66 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.602 -0.888 . . . . 2.19 108.602 176.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 28.1 m -122.47 157.1 27.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-O 121.206 0.527 . . . . 1.01 111.432 -172.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' THR . . . . . 0.488 ' HB ' HG23 ' B' ' 92' ' ' THR . 32.3 m -86.39 118.95 26.15 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.201 -0.908 . . . . 1.04 109.697 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.557 ' HB ' ' O ' ' B' ' 25' ' ' LYS . 41.9 t -89.58 138.72 18.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 115.72 -0.673 . . . . 1.1 110.59 -175.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 42.5 mt -100.0 137.61 38.21 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.881 -0.599 . . . . 1.91 109.63 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.15 -29.11 67.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.648 0.737 . . . . 2.18 110.361 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -129.09 140.06 51.74 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.744 -1.117 . . . . 3.59 109.204 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.418 HG12 ' HB3' ' B' ' 90' ' ' LEU . 33.7 m -89.52 115.56 29.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.654 0.74 . . . . 2.39 110.479 -177.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -102.83 99.34 9.28 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.29 -0.868 . . . . 3.25 109.336 177.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 62.2 mt -82.69 -81.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.81 -0.441 . . . . 2.77 109.81 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -124.68 -68.6 0.84 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.303 -0.629 . . . . 3.84 109.303 173.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -129.92 33.51 4.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.854 -0.612 . . . . 4.76 109.959 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 20.1 m -139.73 124.33 18.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.843 -0.617 . . . . 3.33 109.793 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 40.9 t -118.57 118.84 59.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.34 -0.391 . . . . 2.38 110.544 -179.247 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -121.47 135.91 55.0 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.577 -0.283 . . . . 4.13 110.546 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 66.6 mtm180 -80.26 105.72 11.73 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.994 -0.743 . . . . 4.84 108.994 175.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.561 ' HB2' ' CD ' ' A' ' 88' ' ' LYS . 29.0 pt20 -82.57 -55.06 4.69 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.523 0.564 . . . . 4.56 112.523 -170.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 63.81 161.27 0.1 Allowed 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.605 0.717 . . . . 2.45 111.767 -176.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -134.79 131.52 37.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.849 -0.614 . . . . 1.16 110.706 177.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -84.36 94.97 8.6 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.477 0.656 . . . . 3.56 109.983 177.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' GLU . . . . . 0.523 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 19.8 mt-10 -101.07 112.62 25.13 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.927 -0.578 . . . . 1.49 110.033 -179.315 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.47 ' HA ' ' HA ' ' B' ' 19' ' ' SER . 19.5 m -99.93 104.99 16.66 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.254 -0.884 . . . . 1.07 110.194 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -103.39 165.21 11.17 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.755 -0.657 . . . . 2.48 110.388 -175.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 72.9 m -87.74 119.47 28.1 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.991 -0.55 . . . . 1.73 109.987 177.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -69.61 -31.05 68.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.375 0.607 . . . . 3.49 109.555 176.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -144.35 135.58 25.41 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.031 -0.986 . . . . 2.58 109.226 176.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 14.1 p -78.82 -21.73 47.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.267 0.556 . . . . 2.76 110.027 178.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -146.75 95.5 4.52 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.036 -0.984 . . . . 2.59 109.145 176.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' PRO . . . . . 0.406 ' HG2' ' HA ' ' B' ' 68' ' ' CYS . 12.1 Cg_endo -55.66 -32.85 85.3 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.451 2.101 . . . . 2.57 111.972 -179.078 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 23.7 m -122.63 154.68 27.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.024 -0.535 . . . . 2.53 109.765 174.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -78.19 67.68 4.06 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.925 0.393 . . . . 4.2 110.649 -176.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' SER . . . . . 0.425 ' HB2' ' CB ' ' B' ' 73' ' ' SER . 83.0 p -179.69 -33.21 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.253 -0.885 . . . . 3.9 110.071 -179.243 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 169.06 -112.22 0.46 Allowed Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.912 -0.585 . . . . 2.6 111.677 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.406 ' HA ' ' HG2' ' B' ' 63' ' ' PRO . 95.3 m -117.19 160.93 20.28 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.955 -0.387 . . . . 1.74 109.955 177.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 31.5 mtm180 -68.88 131.99 46.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.527 -0.306 . . . . 3.95 110.83 -176.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.58 -27.8 9.22 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.973 -0.632 . . . . 1.6 112.531 178.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 47.4 mm -70.55 134.33 30.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.883 0.373 . . . . 1.65 111.439 -177.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -68.64 95.29 0.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.127 -0.694 . . . . 3.32 109.127 172.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' SER . . . . . 0.599 ' HA ' ' O ' ' B' ' 76' ' ' TRP . 15.8 m -78.24 9.34 3.88 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.126 -0.488 . . . . 4.63 111.659 -172.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -91.2 -39.39 12.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.013 0.435 . . . . 3.06 110.001 176.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -100.69 -27.57 13.3 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.945 -0.57 . . . . 3.51 110.577 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' TRP . . . . . 0.599 ' O ' ' HA ' ' B' ' 73' ' ' SER . 99.7 m95 -117.94 122.71 43.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.222 0.534 . . . . 3.17 111.197 -178.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' ASN . . . . . 0.409 ' HB2' ' HE2' ' B' ' 115' ' ' LYS . 27.9 t-20 -92.93 135.13 34.42 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.193 -1.039 . . . . 2.7 108.193 170.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.467 ' HA ' ' O ' ' B' ' 111' ' ' VAL . 1.4 m -132.53 149.15 52.37 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.899 0.38 . . . . 1.93 111.419 -172.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -158.11 152.4 24.41 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.841 -0.618 . . . . 3.73 109.62 170.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.615 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 38.0 m -88.32 115.21 25.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.589 -0.732 . . . . 1.67 110.857 -176.308 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 12.4 m -103.92 127.66 51.44 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.788 -0.642 . . . . 2.25 109.753 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.7 m -85.24 115.65 23.13 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 110.026 -0.361 . . . . 2.78 110.026 177.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 19.7 p -81.89 134.1 35.37 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 120.971 0.415 . . . . 2.69 111.088 -175.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -104.11 136.96 42.76 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.031 -0.531 . . . . 3.71 110.27 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.618 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 11.4 t -132.69 162.97 30.01 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.37 -0.604 . . . . 1.48 109.37 177.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.443 ' HB3' ' HB3' ' B' ' 101' ' ' PHE . 91.4 m-85 -107.11 116.98 32.88 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.893 0.377 . . . . 1.75 110.191 -176.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 21.4 m -109.56 139.04 34.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.452 0.644 . . . . 1.08 111.723 -175.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' LYS . . . . . 0.572 ' CD ' ' HB2' ' A' ' 51' ' ' GLN . 9.9 pttp -67.14 103.44 1.21 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.704 -1.134 . . . . 3.82 111.331 177.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.83 151.84 49.97 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.404 -0.816 . . . . 1.13 110.759 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.418 ' HB3' HG12 ' B' ' 42' ' ' VAL . 23.1 tp -81.72 109.98 16.63 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.87 -0.789 . . . . 1.45 108.87 173.007 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 47.5 p -128.66 155.35 45.15 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.195 -0.457 . . . . 1.15 110.537 -175.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.488 HG23 ' HB ' ' B' ' 37' ' ' THR . 9.8 t -117.61 123.38 46.02 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.227 0.537 . . . . 1.32 110.087 178.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -74.4 -19.51 60.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.015 -0.538 . . . . 2.46 110.184 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -165.75 -73.31 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.607 -0.724 . . . . 3.09 109.702 177.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -136.0 25.4 3.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.771 0.32 . . . . 3.3 110.972 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -134.77 106.46 6.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.306 -0.406 . . . . 2.74 110.752 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.46 119.77 19.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.076 -0.511 . . . . 1.44 110.214 177.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -141.04 150.91 43.58 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.211 -0.45 . . . . 1.39 110.62 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -77.27 111.3 12.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.987 -0.551 . . . . 2.35 110.464 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 100' ' ' ARG . . . . . 0.468 ' HB3' ' OD1' ' B' ' 30' ' ' ASP . 42.5 mmt-85 -125.25 178.17 5.73 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.757 -0.656 . . . . 3.48 110.167 -178.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.443 ' HB3' ' HB3' ' B' ' 86' ' ' PHE . 78.0 m-85 -117.52 108.94 16.11 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.181 -0.674 . . . . 1.98 109.181 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ILE . . . . . 0.484 ' HB ' ' HB1' ' B' ' 28' ' ' ALA . 32.9 pt -111.66 144.28 19.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.138 0.494 . . . . 0.86 111.339 -171.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.618 ' HA ' ' O ' ' B' ' 85' ' ' THR . 16.1 ptt180 -74.91 119.83 19.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.422 -0.808 . . . . 3.72 111.673 -176.171 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 41.3 pt -122.9 160.32 25.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.261 -0.882 . . . . 0.83 109.13 171.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ASP . . . . . 0.523 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 61.1 m-20 -81.14 113.3 19.21 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.159 -0.682 . . . . 1.69 109.159 176.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 6.4 t -95.44 -31.39 13.4 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.861 -0.336 . . . . 2.29 111.777 -172.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -157.01 166.2 34.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.165 0.507 . . . . 1.15 111.644 -176.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' CYS . . . . . 0.615 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 44.2 t -124.98 106.28 9.84 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.728 -0.841 . . . . 1.56 108.728 176.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 18.9 m -105.47 142.37 18.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.04 0.448 . . . . 1.08 111.192 -172.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.429 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 40.6 t -89.94 113.93 25.66 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.879 -0.786 . . . . 1.45 108.879 173.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' B' ' 78' ' ' SER . 32.8 m -94.51 144.8 9.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 C-N-CA 120.711 -0.396 . . . . 1.52 110.179 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.559 ' HB3' ' CE3' ' B' ' 76' ' ' TRP . 85.4 mt -113.28 138.73 49.58 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.006 -0.543 . . . . 1.67 110.396 -178.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 42.1 t -133.07 148.37 52.19 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.166 -0.679 . . . . 2.62 109.166 175.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -79.67 7.73 7.89 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 121.202 -0.199 . . . . 6.72 110.872 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' LYS . . . . . 0.409 ' HE2' ' HB2' ' B' ' 77' ' ' ASN . 19.6 ptpt 47.01 36.27 3.99 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.173 0.989 . . . . 4.59 111.731 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -126.92 110.08 12.63 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.366 -0.834 . . . . 4.5 109.887 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 24.5 p -83.06 152.1 25.51 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.316 -0.402 . . . . 5.74 110.549 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 118' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 . . . . . 0 C--O 1.245 0.834 0 CA-C-O 118.617 -0.706 . . . . 8.68 109.603 -179.839 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.3 p . . . . . 0 N--CA 1.476 0.86 0 CA-C-O 120.948 0.404 . . . . 13.98 110.778 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 p -138.02 -72.83 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.712 0.292 . . . . 12.75 111.283 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -92.3 135.55 33.92 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.198 0.523 . . . . 11.35 112.041 -177.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 38.5 p-80 -158.63 95.56 1.83 Allowed Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.397 -0.82 . . . . 10.28 109.416 176.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -64.62 94.4 0.21 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.714 2.276 . . . . 7.63 112.132 -174.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.4 t 53.35 50.88 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-O 121.557 0.694 . . . . 6.65 109.234 -177.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.556 ' HB3' ' OE2' ' A' ' 11' ' ' GLU . 66.0 m-85 68.31 -70.66 0.12 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 114.641 -1.163 . . . . 7.27 110.506 -173.154 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -154.67 56.83 0.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.691 -0.855 . . . . 7.72 108.691 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 84.0 mtp 74.04 -48.95 0.67 Allowed 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.135 0.974 . . . . 5.34 111.39 -177.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -177.32 80.32 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.772 -0.728 . . . . 3.98 112.11 177.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.556 ' OE2' ' HB3' ' A' ' 7' ' ' PHE . 47.8 mt-10 -82.04 56.41 3.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.98 0.419 . . . . 4.63 110.537 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.492 ' HB2' ' O ' ' B' ' 112' ' ' LEU . 89.5 m-85 -87.48 93.76 9.51 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.636 -0.505 . . . . 3.65 109.636 176.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.6 t -58.22 128.87 39.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.733 -0.667 . . . . 2.42 110.507 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.417 HG12 ' HG ' ' B' ' 112' ' ' LEU . 17.3 m -58.96 -32.74 48.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 CA-C-N 115.52 -0.764 . . . . 1.41 111.132 178.163 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.1 t -112.07 139.17 47.81 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.184 -0.462 . . . . 1.75 110.704 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -88.22 117.4 27.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.178 0.513 . . . . 2.87 109.677 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.8 p -130.81 164.05 26.03 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.019 -0.537 . . . . 1.72 110.859 -176.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 56' ' ' THR . 2.5 p -108.79 114.63 47.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.958 -0.565 . . . . 1.51 109.595 176.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 21.6 t -112.33 105.51 13.81 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.923 -0.581 . . . . 1.66 109.915 -176.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.4 t -128.15 141.8 45.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.965 -0.561 . . . . 1.03 110.85 -175.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.444 ' HA ' ' O ' ' A' ' 53' ' ' PHE . 83.7 m95 -85.64 95.55 9.39 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.589 -0.893 . . . . 1.61 108.589 171.018 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 81.7 t -90.76 118.04 35.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.272 -0.877 . . . . 0.96 111.222 -172.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.02 15.39 40.07 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.859 -0.686 . . . . 1.27 111.433 177.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -122.36 20.25 10.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.728 0.299 . . . . 3.02 110.931 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.449 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 84.1 tttt -78.25 101.68 7.25 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.254 -0.647 . . . . 1.32 109.254 177.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -93.13 -12.39 30.53 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.16 -0.473 . . . . 1.82 112.199 -171.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.6 p -134.84 132.64 38.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.098 0.475 . . . . 1.01 111.285 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.51 155.97 42.39 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.115 -0.493 . . . . 0.79 110.541 177.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.5 m -98.02 123.79 42.2 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.293 -0.412 . . . . 1.02 111.428 -177.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.456 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 13.0 t70 -65.76 158.63 27.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.637 -0.71 . . . . 1.85 109.234 174.079 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.403 ' HA ' ' CE2' ' A' ' 86' ' ' PHE . 16.5 tt -59.05 -18.86 14.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.985 -0.552 . . . . 1.33 111.932 -176.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -87.17 -11.19 50.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.81 0.338 . . . . 2.22 111.142 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.54 18.7 15.52 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.682 -0.77 . . . . 1.25 112.827 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -99.41 122.18 42.17 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.79 -0.241 . . . . 2.14 110.64 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -83.79 115.22 22.12 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.08 0.467 . . . . 2.19 109.821 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.5 m -118.09 161.42 17.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.799 -0.637 . . . . 1.02 111.166 -174.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.476 ' HB ' HG23 ' A' ' 92' ' ' THR . 17.8 m -87.22 116.95 25.65 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.274 -0.875 . . . . 1.04 110.074 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.508 ' HA ' HG22 ' A' ' 91' ' ' THR . 43.3 t -85.68 136.53 22.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.992 -0.549 . . . . 1.1 110.953 -175.152 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.4 mt -92.21 127.48 37.7 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.906 -0.775 . . . . 1.91 108.906 174.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.46 -9.32 58.47 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.138 0.422 . . . . 2.18 112.138 -171.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -140.0 113.1 8.25 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.567 0.698 . . . . 3.59 112.261 -177.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 p -155.34 96.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.127 -0.942 . . . . 2.4 109.42 169.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.492 ' H ' HG13 ' A' ' 48' ' ' VAL . 65.4 m-80 -144.03 116.43 8.55 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.791 -0.641 . . . . 3.25 110.931 -178.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 74.1 mt 70.42 132.78 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-O 121.551 0.691 . . . . 2.77 112.166 172.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -86.33 62.74 7.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.355 0.597 . . . . 3.84 109.872 176.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -167.33 -54.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.437 -0.801 . . . . 4.76 109.817 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.9 t -136.91 113.82 10.47 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.105 -0.702 . . . . 3.33 109.105 174.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.492 HG13 ' H ' ' A' ' 43' ' ' ASN . 82.0 t -99.66 116.73 43.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.159 -0.473 . . . . 2.37 111.632 -172.5 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -111.52 174.85 5.67 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.845 -0.616 . . . . 4.13 109.94 173.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -84.74 160.65 20.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.036 0.446 . . . . 4.84 111.196 -176.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.42 ' HB3' HD21 ' A' ' 43' ' ' ASN . 13.6 pt20 -128.21 165.3 20.72 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.862 -0.608 . . . . 4.56 110.545 -178.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -124.79 151.22 45.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.107 -0.497 . . . . 2.46 109.996 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.444 ' O ' ' HA ' ' A' ' 21' ' ' TRP . 85.0 m-85 -107.15 143.6 35.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.217 -0.447 . . . . 1.16 110.033 176.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -84.14 94.72 8.42 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.711 -0.478 . . . . 3.56 109.711 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.475 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 2.9 mm-40 -106.45 106.45 16.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.009 -0.541 . . . . 1.49 110.688 -176.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 29.4 m -111.73 99.08 7.86 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.796 -0.638 . . . . 1.07 109.717 177.074 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.4 ' HB2' ' HE3' ' A' ' 57' ' ' LYS . 38.0 ttmt -105.02 139.43 39.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.099 -0.5 . . . . 2.48 111.113 -173.033 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 66.0 m -74.75 110.83 9.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.611 -0.722 . . . . 1.73 110.624 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -102.52 6.07 39.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.988 -0.551 . . . . 3.48 110.751 -177.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -145.85 144.31 30.16 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.555 -0.748 . . . . 2.58 109.313 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.9 m -158.49 39.08 0.24 Allowed 'General case' 0 C--O 1.234 0.283 0 N-CA-C 111.858 0.318 . . . . 2.76 111.858 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.532 ' OD1' ' HB2' ' A' ' 66' ' ' SER . 3.1 p-10 -112.08 124.24 32.64 Favored Pre-proline 0 C--N 1.326 -0.453 0 C-N-CA 120.573 -0.451 . . . . 2.59 110.146 176.186 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.466 ' HA ' ' OG ' ' A' ' 78' ' ' SER . 37.2 Cg_exo -21.99 -64.16 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.713 1 C-N-CA 126.173 4.582 . . . . 2.57 116.706 -164.462 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.521 HG23 ' H ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER -95.91 -92.75 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 113.603 0.964 . . . . 2.53 113.603 -168.879 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.521 ' H ' HG23 ' A' ' 64' ' ' VAL . 10.5 pt-20 -49.74 -38.45 33.63 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 113.429 0.9 . . . . 4.19 113.429 -169.126 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.532 ' HB2' ' OD1' ' A' ' 62' ' ' ASN . 14.8 m -128.58 48.46 2.31 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.515 0.674 . . . . 3.9 109.847 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -138.25 -84.77 0.13 Allowed Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.195 -0.911 . . . . 2.6 111.029 177.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.481 ' SG ' ' HB2' ' A' ' 78' ' ' SER . 84.9 m -134.74 -25.4 1.44 Allowed 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.893 -0.323 . . . . 1.73 111.202 176.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 67.81 151.19 0.07 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.014 0.526 . . . . 3.94 111.323 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 77.24 -38.78 1.61 Allowed Glycine 0 CA--C 1.52 0.395 0 C-N-CA 121.018 -0.611 . . . . 1.61 112.834 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.4 mm -55.62 134.53 19.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 123.036 0.534 . . . . 1.65 111.324 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -76.19 114.86 15.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.985 -0.552 . . . . 3.32 110.155 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.3 p -79.67 -6.77 57.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.948 0.404 . . . . 4.63 111.66 -175.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -79.48 -47.62 15.32 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.58 -0.282 . . . . 3.06 110.374 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -96.73 -28.27 14.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.175 -0.466 . . . . 3.51 111.228 -178.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -121.54 157.43 30.72 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.437 0.637 . . . . 3.17 111.215 -176.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -124.9 133.16 53.17 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.319 -0.993 . . . . 2.69 108.319 169.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.481 ' HB2' ' SG ' ' A' ' 68' ' ' CYS . 2.1 p -104.17 133.86 48.39 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.103 0.478 . . . . 1.93 110.861 -177.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.464 ' O ' HG22 ' A' ' 111' ' ' VAL . 72.0 t80 -140.58 140.38 35.13 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.777 -0.647 . . . . 3.73 110.021 -178.14 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.502 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 66.8 m -95.14 119.06 32.99 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.266 -0.425 . . . . 1.67 110.207 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.1 m -110.37 131.89 54.66 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.36 -0.382 . . . . 2.24 110.611 -178.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.5 103.25 13.48 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 121.09 0.471 . . . . 2.78 111.22 177.089 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.0 m -76.35 130.52 38.2 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 109.229 -0.656 . . . . 2.69 109.229 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.503 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 64.5 m-70 -105.03 134.09 48.71 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.468 -0.333 . . . . 3.71 110.399 -176.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.649 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 3.0 t -108.8 162.79 13.85 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.899 -0.778 . . . . 1.48 108.899 175.443 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' A' ' 103' ' ' ARG . 97.3 m-85 -109.27 116.07 31.2 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.051 0.453 . . . . 1.75 110.598 -176.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.2 m -110.8 138.42 39.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.636 -0.711 . . . . 1.08 109.976 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.5 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 13.8 pttp -88.8 107.73 19.13 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.553 0.692 . . . . 3.82 110.575 -179.088 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.61 153.93 46.75 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.326 -0.852 . . . . 1.13 110.333 -177.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.4 ' HG ' ' HB1' ' A' ' 97' ' ' ALA . 19.4 tp -75.14 104.92 5.9 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.45 -0.574 . . . . 1.45 109.45 177.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.508 HG22 ' HA ' ' A' ' 38' ' ' VAL . 52.3 p -123.05 157.79 32.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.288 -0.415 . . . . 1.14 110.056 -178.14 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.476 HG23 ' HB ' ' A' ' 37' ' ' THR . 8.8 t -112.63 125.84 54.72 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.334 0.588 . . . . 1.32 110.375 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -68.06 -33.84 75.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.455 -0.793 . . . . 2.47 109.895 178.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -169.52 -40.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.676 -0.693 . . . . 3.09 110.355 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -131.85 -67.37 0.68 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.481 . . . . 3.29 110.644 -178.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -73.45 139.49 45.84 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.981 -0.554 . . . . 2.74 111.039 -177.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.4 ' HB1' ' HG ' ' A' ' 90' ' ' LEU . . . -95.98 131.06 42.75 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.727 -0.669 . . . . 1.44 110.087 178.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.94 150.66 40.04 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.401 -0.363 . . . . 1.38 110.432 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -69.7 109.7 4.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.106 -0.497 . . . . 2.35 110.292 177.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.5 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 34.2 mmt180 -113.82 153.06 29.77 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.092 -0.504 . . . . 3.48 109.871 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.456 ' O ' ' HA ' ' A' ' 30' ' ' ASP . 86.3 m-85 -92.37 103.58 16.01 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.927 -0.768 . . . . 1.98 108.927 174.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 30.6 pt -112.17 143.33 22.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.168 0.508 . . . . 0.86 110.756 -172.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.649 ' HA ' ' O ' ' A' ' 85' ' ' THR . 38.1 ptt180 -85.51 133.55 34.08 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.681 -0.69 . . . . 3.71 111.382 -175.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.503 ' O ' ' HA ' ' A' ' 84' ' ' HIS . 40.8 pt -122.61 152.84 27.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 CA-C-N 115.482 -0.781 . . . . 0.83 109.991 175.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.475 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 4.7 m-20 -72.51 100.75 2.8 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 108.628 -0.879 . . . . 1.69 108.628 178.027 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.23 -46.77 5.71 Favored 'General case' 0 C--N 1.315 -0.933 0 C-N-CA 120.605 -0.438 . . . . 2.29 112.069 -168.041 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -132.81 141.72 48.62 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.895 0.379 . . . . 1.14 111.239 -174.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.502 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 45.9 t -107.37 98.76 8.35 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.467 -0.938 . . . . 1.56 108.467 174.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 32.4 m -99.12 143.67 13.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.117 -0.492 . . . . 1.07 111.559 -171.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 35.1 t -86.7 113.25 22.4 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.777 -0.647 . . . . 1.45 109.423 174.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 79' ' ' TYR . 23.6 m -108.35 145.63 15.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.168 -0.469 . . . . 1.52 109.866 178.329 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.436 ' O ' ' HB2' ' B' ' 12' ' ' PHE . 67.7 mt -106.66 138.18 43.31 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.216 0.532 . . . . 1.67 110.705 178.238 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.3 t -114.95 138.78 50.43 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 108.721 -0.844 . . . . 2.62 108.721 173.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 -78.95 7.52 7.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.187 0.518 . . . . 6.73 109.974 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt 66.27 40.37 3.78 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.235 -0.893 . . . . 4.59 110.178 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -126.54 -56.59 1.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.416 -0.811 . . . . 4.5 110.754 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 23.2 p -78.22 150.11 33.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.313 -0.403 . . . . 5.74 111.03 -179.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.517 ' C ' ' HE ' ' A' ' 118' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.79 0 N-CA-C 109.788 -0.449 . . . . 8.67 109.788 -178.041 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.1 p . . . . . 0 N--CA 1.475 0.794 0 CA-C-O 120.787 0.327 . . . . 13.98 110.475 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 17.0 p -138.04 -73.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.764 0.316 . . . . 12.76 111.158 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -91.95 135.04 34.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.324 0.583 . . . . 11.36 112.092 -177.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 37.7 p-80 -158.14 95.92 1.92 Allowed Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.391 -0.822 . . . . 10.29 109.365 176.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.92 94.37 0.23 Allowed 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.672 2.248 . . . . 7.63 112.161 -174.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 12.1 t 53.36 51.13 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.278 0 N-CA-C 109.122 -0.696 . . . . 6.65 109.122 -177.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.54 ' HB3' ' OE2' ' B' ' 11' ' ' GLU . 66.8 m-85 67.89 -70.74 0.12 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.657 -1.156 . . . . 7.27 110.575 -172.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -154.52 57.05 0.69 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.688 -0.856 . . . . 7.72 108.688 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 84.4 mtp 73.79 -48.79 0.67 Allowed 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.078 -0.965 . . . . 5.34 111.274 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -177.42 80.26 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.722 -0.751 . . . . 3.98 112.201 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.54 ' OE2' ' HB3' ' B' ' 7' ' ' PHE . 47.5 mt-10 -81.89 56.36 3.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.078 0.465 . . . . 4.62 110.761 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' PHE . . . . . 0.436 ' HB2' ' O ' ' A' ' 112' ' ' LEU . 89.6 m-85 -87.45 93.84 9.53 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.606 -0.516 . . . . 3.65 109.606 176.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 48.4 t -58.29 128.97 39.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.725 -0.671 . . . . 2.42 110.346 -179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.4 m -58.9 -32.96 48.4 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.172 0 CA-C-N 115.707 -0.679 . . . . 1.41 111.193 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 50.7 t -111.9 138.99 47.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.219 -0.446 . . . . 1.75 110.639 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -87.84 117.36 26.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.081 -0.509 . . . . 2.87 109.696 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.4 p -130.82 164.19 25.73 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.055 -0.521 . . . . 1.72 110.642 -176.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' B' ' 56' ' ' THR . 2.5 p -108.86 114.65 47.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.558 -0.534 . . . . 1.51 109.558 176.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.411 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 20.9 t -112.27 105.93 14.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.931 -0.577 . . . . 1.66 109.871 -176.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 91.4 t -128.45 141.39 46.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.806 -0.634 . . . . 1.03 110.964 -175.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' TRP . . . . . 0.441 ' HA ' ' O ' ' B' ' 53' ' ' PHE . 84.4 m95 -85.1 95.41 9.11 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.769 -0.826 . . . . 1.61 108.769 170.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 82.5 t -90.77 117.89 34.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.237 -0.892 . . . . 0.96 111.224 -172.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.04 15.04 40.34 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.781 -0.723 . . . . 1.27 111.463 177.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -122.1 20.79 10.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.718 0.295 . . . . 3.01 110.872 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.448 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 84.2 tttt -78.55 102.34 7.87 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.181 -0.674 . . . . 1.32 109.181 177.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 9.9 t -94.05 -12.43 28.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.227 -0.442 . . . . 1.82 112.123 -171.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 6.6 p -134.6 132.57 39.19 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.87 0.367 . . . . 1.0 111.344 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.4 ' HB1' ' HB ' ' B' ' 102' ' ' ILE . . . -147.49 156.11 42.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.126 -0.488 . . . . 0.79 110.539 177.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 23.4 m -98.21 123.88 42.5 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.377 -0.374 . . . . 1.01 111.376 -177.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ASP . . . . . 0.451 ' HA ' ' O ' ' B' ' 101' ' ' PHE . 11.9 t70 -65.66 158.82 26.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.637 -0.711 . . . . 1.84 109.155 174.064 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 16.4 tt -59.47 -18.29 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.855 -0.612 . . . . 1.33 111.91 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 39.3 mttp -87.77 -10.67 50.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.816 0.341 . . . . 2.22 111.18 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.06 18.46 17.37 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.642 -0.789 . . . . 1.25 112.728 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -99.13 122.34 42.22 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.865 -0.197 . . . . 2.14 110.642 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -83.86 115.3 22.19 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.08 0.467 . . . . 2.19 109.79 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 m -118.2 161.59 16.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.649 -0.705 . . . . 1.01 111.274 -174.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' THR . . . . . 0.464 ' HB ' HG23 ' B' ' 92' ' ' THR . 18.6 m -87.69 116.56 25.92 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.365 -0.834 . . . . 1.04 110.023 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.515 ' HA ' HG22 ' B' ' 91' ' ' THR . 42.7 t -85.43 136.32 23.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.877 -0.601 . . . . 1.1 111.086 -175.055 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 68.1 mt -92.03 127.39 37.48 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.895 -0.78 . . . . 1.91 108.895 175.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.25 -9.24 58.38 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.176 0.435 . . . . 2.18 112.176 -171.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -140.01 113.09 8.24 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 121.654 0.74 . . . . 3.59 112.236 -177.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 p -155.4 96.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.161 -0.927 . . . . 2.39 109.308 169.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.51 ' H ' HG13 ' B' ' 48' ' ' VAL . 65.3 m-80 -144.13 116.14 8.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.876 -0.602 . . . . 3.25 110.948 -178.586 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 74.0 mt 70.47 132.81 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 121.589 0.709 . . . . 2.77 112.214 172.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -85.96 62.21 7.31 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.168 0.508 . . . . 3.84 110.0 176.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -166.72 -55.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.596 -0.729 . . . . 4.76 109.645 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 23.0 t -136.5 113.88 10.83 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.111 -0.7 . . . . 3.33 109.111 174.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.51 HG13 ' H ' ' B' ' 43' ' ' ASN . 84.5 t -99.65 116.81 43.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.201 -0.454 . . . . 2.38 111.706 -172.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -111.66 174.86 5.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.912 -0.585 . . . . 4.13 109.786 173.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -84.88 160.47 20.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.023 0.44 . . . . 4.84 111.262 -176.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.424 ' HB3' HD21 ' B' ' 43' ' ' ASN . 13.6 pt20 -128.03 165.0 21.15 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.757 -0.656 . . . . 4.56 110.605 -178.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -124.57 151.08 45.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.167 -0.47 . . . . 2.45 110.196 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' PHE . . . . . 0.441 ' O ' ' HA ' ' B' ' 21' ' ' TRP . 84.9 m-85 -107.04 143.76 34.68 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.122 -0.49 . . . . 1.16 110.016 176.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -84.38 94.9 8.59 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.692 -0.485 . . . . 3.56 109.692 -178.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' GLU . . . . . 0.458 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 2.9 mm-40 -106.75 106.34 16.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 1.49 110.571 -176.177 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.444 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 30.0 m -111.82 98.95 7.75 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.873 -0.603 . . . . 1.07 109.694 177.188 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -104.91 139.12 40.11 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.144 0.497 . . . . 2.48 111.226 -172.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 66.0 m -74.34 111.1 9.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.689 -0.687 . . . . 1.73 110.603 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -103.02 6.16 38.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.969 -0.559 . . . . 3.49 110.503 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -145.88 144.35 30.15 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.809 -0.632 . . . . 2.58 109.454 178.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 70.1 m -158.32 38.48 0.25 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.947 0.351 . . . . 2.76 111.947 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ASN . . . . . 0.543 ' OD1' ' HB2' ' B' ' 66' ' ' SER . 3.1 p-10 -111.85 124.26 32.74 Favored Pre-proline 0 C--N 1.326 -0.419 0 C-N-CA 120.351 -0.54 . . . . 2.59 110.192 176.354 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 63' ' ' PRO . . . . . 0.462 ' HA ' ' OG ' ' B' ' 78' ' ' SER . 36.4 Cg_exo -21.85 -64.47 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.692 1 C-N-CA 126.137 4.558 . . . . 2.57 116.706 -164.479 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 64' ' ' VAL . . . . . 0.529 HG23 ' H ' ' B' ' 65' ' ' GLU . 0.4 OUTLIER -95.46 -92.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 113.641 0.978 . . . . 2.53 113.641 -169.013 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 65' ' ' GLU . . . . . 0.529 ' H ' HG23 ' B' ' 64' ' ' VAL . 10.6 pt-20 -49.49 -38.85 31.69 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.292 0.849 . . . . 4.2 113.292 -169.183 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' SER . . . . . 0.543 ' HB2' ' OD1' ' B' ' 62' ' ' ASN . 14.2 m -128.46 48.15 2.35 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.563 0.696 . . . . 3.9 109.757 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -137.94 -85.02 0.14 Allowed Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.102 -0.954 . . . . 2.6 110.963 177.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.475 ' SG ' ' HB2' ' B' ' 78' ' ' SER . 84.0 m -134.49 -25.24 1.51 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.864 -0.334 . . . . 1.74 111.312 176.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 67.77 151.16 0.07 Allowed 'General case' 0 N--CA 1.472 0.626 0 O-C-N 123.557 0.535 . . . . 3.95 111.285 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 77.12 -38.37 1.57 Allowed Glycine 0 CA--C 1.519 0.311 0 C-N-CA 121.02 -0.61 . . . . 1.6 112.876 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 48.7 mm -55.76 135.21 19.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 122.958 0.503 . . . . 1.65 111.371 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -76.75 114.26 15.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.908 -0.587 . . . . 3.32 110.072 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 29.1 p -79.01 -7.07 57.79 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.162 -0.472 . . . . 4.63 111.759 -175.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -79.46 -47.49 15.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.985 0.421 . . . . 3.06 110.24 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -96.72 -28.59 14.23 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.041 -0.527 . . . . 3.51 111.224 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -121.08 157.41 30.12 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.329 0.585 . . . . 3.17 111.29 -176.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -124.77 133.17 53.24 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.285 -1.006 . . . . 2.7 108.285 169.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.475 ' HB2' ' SG ' ' B' ' 68' ' ' CYS . 2.0 p -104.24 134.1 48.05 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.104 0.478 . . . . 1.93 110.887 -177.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' TYR . . . . . 0.457 ' O ' HG22 ' B' ' 111' ' ' VAL . 73.2 t80 -140.91 140.34 34.49 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.618 -0.719 . . . . 3.73 110.04 -178.129 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.496 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 67.0 m -95.2 118.98 32.93 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.211 -0.45 . . . . 1.67 110.224 179.347 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 22.5 m -110.39 131.99 54.57 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.341 -0.391 . . . . 2.25 110.624 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.55 103.06 13.35 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.085 -0.507 . . . . 2.78 111.287 177.09 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 9.5 m -76.26 130.43 38.15 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 109.385 -0.598 . . . . 2.69 109.385 176.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' HIS . . . . . 0.493 ' HA ' ' O ' ' B' ' 104' ' ' ILE . 65.8 m-70 -105.04 133.91 49.02 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.398 -0.365 . . . . 3.71 110.464 -176.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.637 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 3.1 t -108.88 162.7 13.95 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.9 -0.778 . . . . 1.48 108.9 175.529 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.495 ' CE2' ' HB3' ' B' ' 103' ' ' ARG . 97.2 m-85 -109.15 115.94 30.99 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.095 0.474 . . . . 1.75 110.594 -176.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 27.3 m -110.76 138.51 38.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.662 -0.699 . . . . 1.08 109.94 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' LYS . . . . . 0.501 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 13.9 pttp -88.89 107.67 19.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.519 0.676 . . . . 3.82 110.511 -179.006 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.58 153.89 46.76 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.248 -0.887 . . . . 1.13 110.382 -177.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 19.1 tp -75.04 105.0 5.84 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.521 -0.548 . . . . 1.45 109.521 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' THR . . . . . 0.515 HG22 ' HA ' ' B' ' 38' ' ' VAL . 55.6 p -123.2 157.71 32.43 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.294 -0.412 . . . . 1.15 109.973 -178.132 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.464 HG23 ' HB ' ' B' ' 37' ' ' THR . 8.6 t -112.66 125.8 54.69 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.512 0.673 . . . . 1.32 110.413 -179.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -67.97 -33.87 75.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.395 -0.821 . . . . 2.46 110.004 178.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -169.78 -40.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.599 -0.728 . . . . 3.09 110.394 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -132.17 -67.93 0.64 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.213 -0.449 . . . . 3.3 110.533 -178.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -72.82 139.7 47.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.954 -0.566 . . . . 2.74 111.137 -178.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.54 130.85 43.64 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.658 -0.701 . . . . 1.44 110.176 178.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.65 150.84 40.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.395 -0.366 . . . . 1.39 110.525 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -69.83 110.01 4.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.139 -0.482 . . . . 2.35 110.198 177.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 100' ' ' ARG . . . . . 0.501 ' O ' ' HA ' ' B' ' 88' ' ' LYS . 34.0 mmt180 -114.06 153.3 29.68 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.961 -0.563 . . . . 3.48 109.806 179.291 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.451 ' O ' ' HA ' ' B' ' 30' ' ' ASP . 86.1 m-85 -92.66 103.51 15.88 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.891 -0.781 . . . . 1.98 108.891 174.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 102' ' ' ILE . . . . . 0.4 ' HB ' ' HB1' ' B' ' 28' ' ' ALA . 30.0 pt -112.13 143.4 21.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.136 0.493 . . . . 0.86 110.7 -172.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.637 ' HA ' ' O ' ' B' ' 85' ' ' THR . 38.2 ptt180 -85.62 133.52 34.04 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.661 -0.699 . . . . 3.72 111.369 -175.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 104' ' ' ILE . . . . . 0.493 ' O ' ' HA ' ' B' ' 84' ' ' HIS . 40.9 pt -122.63 152.77 27.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.462 -0.79 . . . . 0.83 109.949 175.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 105' ' ' ASP . . . . . 0.458 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 4.5 m-20 -72.42 100.73 2.75 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 108.782 -0.821 . . . . 1.69 108.782 177.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.21 -46.69 5.74 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 120.681 -0.407 . . . . 2.29 111.989 -167.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -133.06 141.44 48.23 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.935 0.397 . . . . 1.15 111.333 -174.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' CYS . . . . . 0.496 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 46.0 t -107.29 98.58 8.19 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.554 -0.906 . . . . 1.56 108.554 174.209 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 32.5 m -98.96 143.75 12.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.976 -0.556 . . . . 1.08 111.596 -171.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 35.3 t -86.73 113.23 22.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.798 -0.637 . . . . 1.45 109.479 174.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.457 HG22 ' O ' ' B' ' 79' ' ' TYR . 23.0 m -108.28 145.58 15.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.148 -0.478 . . . . 1.52 109.97 178.228 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.492 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 67.7 mt -106.7 138.26 43.2 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.331 0.586 . . . . 1.67 110.613 178.228 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 40.1 t -115.15 138.35 51.0 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.299 -0.864 . . . . 2.62 108.692 173.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -78.44 7.48 6.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.229 0.537 . . . . 6.72 110.143 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt 65.96 41.24 3.78 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-N 115.203 -0.908 . . . . 4.59 109.967 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -127.18 -56.34 1.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.443 -0.799 . . . . 4.5 110.871 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 23.9 p -78.36 150.41 33.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.112 -0.494 . . . . 5.74 111.019 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 118' ' ' ARG . . . . . 0.489 ' HE ' ' C ' ' B' ' 118' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.938 0 CA-C-O 119.06 -0.495 . . . . 8.68 109.809 -178.047 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 109.646 -0.501 . . . . 13.98 109.646 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 p -140.98 40.03 1.8 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.223 0.535 . . . . 12.75 110.3 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.9 p -89.82 103.48 16.13 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.623 -0.717 . . . . 11.35 110.886 -178.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -75.95 131.56 75.86 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.753 -0.658 . . . . 10.28 110.244 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.97 98.07 0.42 Allowed 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 122.352 2.035 . . . . 7.63 112.182 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.7 t -69.91 -13.47 17.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.643 -0.708 . . . . 6.65 110.117 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -55.37 -41.68 72.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.558 -0.746 . . . . 7.27 110.515 175.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 37.5 t60 -72.63 -27.09 61.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.125 0.488 . . . . 7.72 110.44 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 77.1 mtp -77.05 -27.64 54.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.819 -0.628 . . . . 5.34 110.052 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.1 1.29 80.75 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.765 -0.652 . . . . 3.98 112.412 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -90.33 -4.62 57.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.754 0.311 . . . . 4.63 110.904 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -92.53 77.39 5.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.224 0.535 . . . . 3.65 110.016 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.4 m -83.18 150.41 26.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.474 -0.785 . . . . 2.42 110.765 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.0 m -59.74 -36.99 69.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 121.132 0.491 . . . . 1.41 111.016 174.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.444 ' HA ' ' HG3' ' A' ' 63' ' ' PRO . 45.1 t -122.76 151.99 41.06 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.615 -0.513 . . . . 1.75 109.615 176.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -88.41 114.2 24.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.199 0.523 . . . . 2.87 110.431 -175.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.415 ' OG ' ' HB3' ' A' ' 108' ' ' CYS . 25.4 m -105.6 154.25 20.67 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.708 -0.678 . . . . 1.72 110.56 -177.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 56' ' ' THR . 4.2 p -120.62 114.32 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.022 0.439 . . . . 1.51 110.602 174.306 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.1 m -97.41 116.83 30.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.264 -0.426 . . . . 1.66 110.454 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.7 t -119.36 138.09 51.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.185 -0.462 . . . . 1.03 110.696 -178.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -102.76 96.32 6.78 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.137 -0.69 . . . . 1.61 109.137 173.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.5 t -77.46 123.07 33.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.386 -0.824 . . . . 0.96 110.618 -175.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.86 -11.54 54.77 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.568 -0.825 . . . . 1.27 111.73 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -138.82 79.46 1.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.159 0.504 . . . . 3.02 110.461 -178.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -97.95 136.7 37.86 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.89 -0.781 . . . . 1.32 108.89 175.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.9 t -111.48 -27.08 8.75 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.662 0.616 . . . . 1.82 112.662 -173.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.2 p -137.24 142.6 42.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.04 0.448 . . . . 1.01 111.895 -178.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.438 ' HB1' ' HB ' ' A' ' 102' ' ' ILE . . . -150.84 171.34 17.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.748 -0.66 . . . . 0.79 110.109 175.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.3 m -117.87 121.2 40.11 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.602 0.239 . . . . 1.02 110.392 177.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.462 ' OD2' ' HB3' ' A' ' 100' ' ' ARG . 17.5 t70 -74.19 163.67 27.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.944 -0.571 . . . . 1.85 110.029 178.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.9 tt -63.93 -21.31 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.34 -0.391 . . . . 1.33 111.261 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -75.39 -13.13 60.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.028 0.442 . . . . 2.22 110.61 176.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.9 18.37 34.77 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 111.486 -0.646 . . . . 1.25 111.486 -178.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -92.12 134.86 34.46 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.678 0.275 . . . . 2.14 110.93 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -84.2 114.32 21.72 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.528 -0.915 . . . . 2.19 108.528 172.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.4 m -115.58 149.79 17.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-O 121.196 0.522 . . . . 1.02 111.342 -172.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.46 ' HB ' ' CG2' ' A' ' 92' ' ' THR . 30.4 m -85.83 115.81 23.7 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.209 -0.905 . . . . 1.04 109.239 175.381 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.558 ' HA ' HG22 ' A' ' 91' ' ' THR . 46.6 t -81.79 139.8 17.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.105 -0.498 . . . . 1.1 110.203 -178.042 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 66.8 mt -96.88 121.78 39.12 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.537 -0.542 . . . . 1.91 109.537 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.26 -39.3 92.45 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.317 0.58 . . . . 2.18 109.457 177.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -106.45 114.84 29.2 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.154 -0.93 . . . . 3.59 108.793 175.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 49' ' ' PHE . 31.0 m -90.59 121.78 41.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.366 0.603 . . . . 2.4 110.203 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -92.72 102.6 15.01 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.639 -0.71 . . . . 3.25 110.369 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.7 mt -100.2 62.35 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 108.921 -0.77 . . . . 2.77 108.921 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 67.27 -79.43 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.035 -0.984 . . . . 3.84 111.369 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -103.67 -10.46 18.36 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.891 0.33 . . . . 4.76 111.891 -175.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.7 t -122.8 115.68 22.43 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.885 0.374 . . . . 3.33 110.477 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 23.0 t -115.51 122.04 68.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.008 -0.542 . . . . 2.37 109.606 177.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.486 ' O ' HG22 ' A' ' 42' ' ' VAL . 43.9 p90 -163.13 171.35 16.48 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.686 0.279 . . . . 4.13 110.306 -177.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -105.88 117.31 33.7 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.218 0.532 . . . . 4.84 110.104 175.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -84.06 -8.58 59.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.677 -0.692 . . . . 4.56 111.196 -176.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 69.34 150.9 0.09 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.499 -0.773 . . . . 2.46 111.401 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -123.96 119.7 30.34 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.892 -0.595 . . . . 1.16 110.04 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.441 ' O ' HD12 ' A' ' 104' ' ' ILE . 29.0 p90 -84.28 116.88 23.21 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.321 0.581 . . . . 3.56 110.8 -177.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -123.48 111.76 16.7 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.903 -0.589 . . . . 1.49 109.807 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.461 ' HB ' ' O ' ' A' ' 106' ' ' THR . 44.4 m -99.49 102.25 13.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.179 0.514 . . . . 1.07 109.65 175.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -104.48 172.38 6.83 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.491 -0.777 . . . . 2.48 111.299 -171.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 72.7 m -96.68 107.43 19.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.336 -0.847 . . . . 1.73 109.961 175.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -93.7 8.59 40.37 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.557 0.694 . . . . 3.48 109.639 174.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -154.45 117.46 4.45 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.859 -1.064 . . . . 2.58 108.977 175.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.3 p -74.31 -26.62 60.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.066 0.46 . . . . 2.76 110.07 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -148.62 109.13 3.57 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.29 -0.868 . . . . 2.59 109.217 174.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.444 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 25.2 Cg_endo -60.91 -37.23 78.88 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.486 2.124 . . . . 2.57 111.732 -178.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.5 m -134.86 157.79 41.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.636 -0.711 . . . . 2.53 109.173 177.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -75.95 -8.75 57.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.746 0.308 . . . . 4.19 111.407 -175.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.9 m -89.02 -6.01 57.5 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.376 -0.374 . . . . 3.9 110.865 176.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.09 -121.89 3.51 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.737 -0.744 . . . . 2.6 112.294 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 71.9 m -118.05 56.38 0.86 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.665 -0.315 . . . . 1.73 111.185 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 63.21 89.89 0.08 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.86 -0.609 . . . . 3.94 111.849 173.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.89 -27.69 11.63 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.603 -0.808 . . . . 1.61 112.428 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.1 mm -58.68 137.85 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.682 0.277 . . . . 1.65 110.917 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -83.81 116.96 22.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.995 -0.548 . . . . 3.32 110.289 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.1 m -73.05 -6.04 42.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.005 -0.543 . . . . 4.63 112.329 -173.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -93.15 -26.6 17.35 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.007 0.432 . . . . 3.06 110.647 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -104.91 -34.52 8.01 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.175 -0.466 . . . . 3.51 111.379 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.544 ' CE3' ' HB3' ' A' ' 112' ' ' LEU . 99.1 m95 -130.1 138.45 50.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.188 0.518 . . . . 3.17 111.609 -175.284 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.423 ' HB3' ' OG ' ' A' ' 113' ' ' SER . 27.5 t-20 -106.93 134.14 50.53 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 107.943 -1.132 . . . . 2.69 107.943 167.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.589 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 9.9 m -114.55 151.3 33.6 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.909 0.385 . . . . 1.93 111.385 -172.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.439 ' O ' HG22 ' A' ' 111' ' ' VAL . 79.5 t80 -153.06 134.63 14.44 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.843 -0.617 . . . . 3.73 110.016 175.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.688 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 76.4 m -87.94 126.39 35.03 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.108 0.48 . . . . 1.67 110.988 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.412 ' O ' HG22 ' A' ' 109' ' ' VAL . 43.1 m -126.13 132.58 51.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.723 -0.672 . . . . 2.24 109.873 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.4 t -79.83 132.84 36.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.2 0.524 . . . . 2.78 110.157 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.2 p -86.62 155.87 20.26 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.953 -0.567 . . . . 2.69 110.428 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.448 ' HB2' ' HB2' ' A' ' 103' ' ' ARG . 19.0 p80 -124.07 120.13 31.49 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.8 0.333 . . . . 3.71 110.854 -178.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.686 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 10.8 t -112.03 160.24 17.68 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.375 -0.602 . . . . 1.48 109.375 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.446 ' HA ' ' O ' ' A' ' 102' ' ' ILE . 88.4 m-85 -109.25 116.23 31.5 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.002 0.43 . . . . 1.75 110.482 -177.01 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.9 m -115.22 155.16 16.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.83 -0.623 . . . . 1.08 110.824 -178.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.463 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 46.1 mtpt -83.0 107.94 15.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.178 -0.464 . . . . 3.82 110.334 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.71 140.25 52.19 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.789 -0.642 . . . . 1.13 110.259 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.7 tp -74.1 104.44 4.92 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.058 -0.719 . . . . 1.45 109.058 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.558 HG22 ' HA ' ' A' ' 38' ' ' VAL . 66.5 p -129.32 166.48 19.4 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.927 -0.578 . . . . 1.14 109.732 -176.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.46 ' CG2' ' HB ' ' A' ' 37' ' ' THR . 8.8 t -118.3 116.11 26.09 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.311 0.577 . . . . 1.32 110.252 177.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -94.42 -24.92 17.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.91 -0.586 . . . . 2.47 111.038 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -124.74 -90.6 0.56 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.741 -0.209 . . . . 3.09 110.651 176.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -134.63 3.53 3.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.699 0.285 . . . . 3.29 111.618 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -124.97 159.52 31.06 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.064 -0.347 . . . . 2.74 110.064 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.48 128.49 44.29 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.271 -0.422 . . . . 1.44 110.026 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.13 152.56 41.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.316 -0.402 . . . . 1.38 110.46 -178.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -75.49 100.06 4.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.157 -0.474 . . . . 2.35 110.274 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.463 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 33.1 mmt180 -99.89 165.86 11.35 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.694 -0.685 . . . . 3.48 110.102 -178.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -104.64 101.78 11.4 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.572 -0.899 . . . . 1.98 108.572 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.446 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 44.7 pt -112.12 144.81 19.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.048 0.451 . . . . 0.86 111.348 -170.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.686 ' HA ' ' O ' ' A' ' 85' ' ' THR . 13.9 ptm180 -79.61 123.79 27.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.149 -0.932 . . . . 3.71 111.203 -179.351 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.441 HD12 ' O ' ' A' ' 54' ' ' PHE . 35.5 pt -125.29 158.05 33.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.481 -0.781 . . . . 0.83 110.015 173.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -65.79 118.29 9.43 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.729 -0.668 . . . . 1.69 110.031 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.461 ' O ' ' HB ' ' A' ' 56' ' ' THR . 1.7 m -93.07 -57.03 2.76 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.776 -0.647 . . . . 2.29 111.217 -172.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -159.35 155.81 27.45 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.824 -0.625 . . . . 1.14 110.054 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.688 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 35.5 t -96.17 108.95 21.47 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.479 -0.563 . . . . 1.56 109.479 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 81' ' ' THR . 21.9 m -99.45 150.32 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.963 -0.562 . . . . 1.07 110.663 -174.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.589 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 54.0 t -101.06 115.25 30.05 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.584 -0.524 . . . . 1.45 109.584 177.016 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 79' ' ' TYR . 15.3 m -89.59 149.12 4.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.705 -0.48 . . . . 1.52 109.705 177.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.544 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . 93.9 mt -118.91 139.54 51.47 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.004 0.431 . . . . 1.67 110.545 -178.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.423 ' OG ' ' HB3' ' A' ' 77' ' ' ASN . 28.8 p -131.46 150.0 52.32 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.187 -0.46 . . . . 2.62 110.023 175.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -75.41 8.58 2.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.379 -0.373 . . . . 6.73 111.891 -178.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt 74.8 -51.03 0.67 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.692 0.797 . . . . 4.59 110.381 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -83.99 170.28 14.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.879 -0.6 . . . . 4.5 109.435 172.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 62.5 p 58.54 168.08 0.05 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.857 0.863 . . . . 5.74 112.357 -178.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.145 -0.931 . . . . 8.67 109.952 -179.358 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 109.816 -0.439 . . . . 13.98 109.816 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 11.4 p -140.66 39.06 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.273 0.559 . . . . 12.76 110.45 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 6.7 p -89.08 103.56 16.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.713 -0.676 . . . . 11.36 110.926 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -76.2 131.79 74.68 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.817 -0.629 . . . . 10.29 110.063 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.03 98.17 0.43 Allowed 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.36 2.04 . . . . 7.63 112.007 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.7 t -70.12 -13.27 16.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.728 -0.669 . . . . 6.65 110.128 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -55.66 -41.66 73.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.617 -0.719 . . . . 7.27 110.599 175.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 36.9 t60 -72.35 -27.37 62.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 7.72 110.335 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 76.6 mtp -76.87 -27.59 55.09 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.992 -0.549 . . . . 5.34 110.122 -178.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.9 0.97 81.15 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.799 -0.637 . . . . 3.98 112.397 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -90.15 -4.25 57.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.827 0.346 . . . . 4.62 110.827 178.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -92.63 77.09 4.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.192 0.52 . . . . 3.65 110.062 178.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 4.4 m -82.81 150.45 26.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.531 -0.758 . . . . 2.42 110.815 -177.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.8 m -59.72 -37.17 69.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 121.13 0.491 . . . . 1.41 110.918 174.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.446 ' HA ' ' HG3' ' B' ' 63' ' ' PRO . 45.7 t -122.58 152.1 40.76 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.529 -0.545 . . . . 1.75 109.529 176.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -88.44 114.21 24.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.143 0.497 . . . . 2.87 110.339 -175.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.42 ' OG ' ' HB3' ' B' ' 108' ' ' CYS . 26.0 m -105.35 154.78 19.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.72 -0.673 . . . . 1.72 110.58 -177.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' B' ' 56' ' ' THR . 4.3 p -121.22 114.3 42.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.069 0.461 . . . . 1.51 110.587 174.113 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 48.3 m -97.09 116.67 29.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.219 -0.446 . . . . 1.66 110.371 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 60.9 t -119.34 137.94 51.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.346 -0.388 . . . . 1.03 110.687 -178.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 86.2 m95 -102.52 96.45 6.92 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.144 -0.688 . . . . 1.61 109.144 173.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 43.4 t -77.56 123.25 33.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.405 -0.816 . . . . 0.96 110.467 -175.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.02 -11.56 54.42 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.539 -0.839 . . . . 1.27 111.697 178.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -138.59 80.0 1.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.111 0.482 . . . . 3.01 110.352 -178.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -98.34 136.56 38.33 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.852 -0.796 . . . . 1.32 108.852 174.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 14.2 t -111.49 -26.86 8.85 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.671 0.619 . . . . 1.82 112.671 -173.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 6.8 p -137.25 142.67 42.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 121.92 -0.488 . . . . 1.0 111.892 -178.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.434 ' HB1' ' HB ' ' B' ' 102' ' ' ILE . . . -150.75 171.28 17.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.903 -0.59 . . . . 0.79 110.269 175.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 16.9 m -117.74 121.36 40.62 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.685 0.279 . . . . 1.01 110.445 177.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ASP . . . . . 0.483 ' OD2' ' HB3' ' B' ' 100' ' ' ARG . 17.4 t70 -74.2 163.65 27.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.864 -0.607 . . . . 1.84 109.885 178.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.0 tt -63.87 -21.43 28.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.063 0.459 . . . . 1.33 111.233 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -75.21 -13.4 60.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.427 -0.351 . . . . 2.22 110.502 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.19 17.87 35.69 Favored Glycine 0 N--CA 1.45 -0.417 0 N-CA-C 111.546 -0.621 . . . . 1.25 111.546 -178.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -91.68 135.09 34.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.677 0.275 . . . . 2.14 110.982 -178.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -84.52 114.28 21.83 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.517 -0.92 . . . . 2.19 108.517 172.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 m -115.51 149.91 17.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-O 121.174 0.511 . . . . 1.01 111.362 -172.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' THR . . . . . 0.452 ' HB ' ' CG2' ' B' ' 92' ' ' THR . 27.9 m -85.96 115.89 23.85 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 115.222 -0.899 . . . . 1.04 109.297 175.417 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.582 ' HA ' HG22 ' B' ' 91' ' ' THR . 47.2 t -81.99 140.14 16.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.06 -0.518 . . . . 1.1 109.992 -177.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 66.9 mt -97.27 121.88 39.67 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.573 -0.528 . . . . 1.91 109.573 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.19 92.26 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.928 -0.578 . . . . 2.18 109.544 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -106.37 114.66 28.92 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.224 -0.898 . . . . 3.59 108.93 175.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.481 HG22 ' O ' ' B' ' 49' ' ' PHE . 32.0 m -90.58 121.92 41.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.368 0.604 . . . . 2.39 110.149 -178.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -92.56 102.41 14.85 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.517 0.675 . . . . 3.25 110.408 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 14.5 mt -100.3 62.24 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 108.976 -0.75 . . . . 2.77 108.976 177.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 67.27 -79.25 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 114.944 -1.025 . . . . 3.84 111.311 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -103.48 -10.78 18.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.416 -0.356 . . . . 4.76 111.822 -175.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 20.5 t -122.81 115.48 22.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.963 0.411 . . . . 3.33 110.425 -176.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.472 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 22.8 t -114.94 122.79 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.932 -0.576 . . . . 2.38 109.466 177.365 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' PHE . . . . . 0.481 ' O ' HG22 ' B' ' 42' ' ' VAL . 43.7 p90 -163.78 171.21 15.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.722 0.296 . . . . 4.13 110.506 -178.251 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -105.64 116.9 32.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.087 0.47 . . . . 4.84 110.246 175.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -83.83 -8.53 59.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.826 -0.624 . . . . 4.56 111.19 -176.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 69.2 150.84 0.08 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.443 -0.798 . . . . 2.45 111.368 -178.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -124.0 119.57 29.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.875 -0.602 . . . . 1.16 110.017 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' PHE . . . . . 0.457 ' O ' HD12 ' B' ' 104' ' ' ILE . 29.2 p90 -84.17 116.85 23.14 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.226 0.536 . . . . 3.56 110.772 -177.531 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -123.31 111.71 16.74 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.868 -0.605 . . . . 1.49 109.862 177.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.461 ' HB ' ' O ' ' B' ' 106' ' ' THR . 45.7 m -99.49 102.12 13.57 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.485 -0.561 . . . . 1.07 109.485 175.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -104.46 172.13 6.96 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.613 -0.721 . . . . 2.48 111.242 -171.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 70.3 m -96.32 107.34 19.69 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.394 -0.821 . . . . 1.73 110.007 175.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -93.57 8.45 40.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.529 0.681 . . . . 3.49 109.684 174.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -154.41 117.21 4.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.847 -1.069 . . . . 2.58 109.154 175.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 17.5 p -74.26 -26.29 60.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.164 0.507 . . . . 2.76 110.208 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -148.58 109.52 3.59 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.233 -0.894 . . . . 2.59 109.046 174.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' PRO . . . . . 0.446 ' HG3' ' HA ' ' B' ' 15' ' ' CYS . 25.4 Cg_endo -61.4 -36.66 77.05 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.523 2.149 . . . . 2.57 111.789 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 31.5 m -135.24 158.2 40.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.662 -0.699 . . . . 2.53 109.226 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -76.32 -8.87 58.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.675 0.274 . . . . 4.2 111.295 -175.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 9.2 m -89.12 -6.09 57.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.274 -0.421 . . . . 3.9 110.855 176.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.35 -121.78 3.43 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.731 . . . . 2.6 112.323 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 71.9 m -118.26 55.9 0.88 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.596 0.236 . . . . 1.74 111.236 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 63.75 89.64 0.09 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.76 -0.654 . . . . 3.95 111.849 173.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.85 -27.07 12.56 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.618 -0.801 . . . . 1.6 112.405 177.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 49.0 mm -59.31 137.63 21.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.728 0.299 . . . . 1.65 111.053 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -83.52 117.0 22.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.142 -0.481 . . . . 3.32 110.351 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 4.8 m -73.07 -6.21 44.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.912 -0.585 . . . . 4.63 112.239 -173.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -93.38 -26.27 17.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.097 0.475 . . . . 3.06 110.789 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -105.23 -34.14 8.0 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.113 -0.494 . . . . 3.51 111.417 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' TRP . . . . . 0.558 ' CE3' ' HB3' ' B' ' 112' ' ' LEU . 99.1 m95 -130.28 138.37 50.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.32 0.581 . . . . 3.17 111.57 -175.305 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' ASN . . . . . 0.425 ' HB3' ' OG ' ' B' ' 113' ' ' SER . 27.5 t-20 -107.04 134.22 50.51 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.918 -1.141 . . . . 2.7 107.918 168.028 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.592 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 9.0 m -114.79 151.28 34.07 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.914 0.388 . . . . 1.93 111.515 -172.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' TYR . . . . . 0.432 ' O ' HG22 ' B' ' 111' ' ' VAL . 79.6 t80 -153.17 134.6 14.32 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.788 -0.642 . . . . 3.73 109.971 176.026 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.691 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 76.3 m -88.02 126.25 34.98 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.22 0.533 . . . . 1.67 111.028 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.418 ' O ' HG22 ' B' ' 109' ' ' VAL . 36.5 m -125.93 132.44 52.1 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.707 -0.679 . . . . 2.25 109.95 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.2 t -80.02 132.56 36.02 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.005 0.431 . . . . 2.78 110.273 178.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 6.4 p -86.52 155.44 20.5 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.037 -0.528 . . . . 2.69 110.517 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' HIS . . . . . 0.47 ' HB2' ' HB2' ' B' ' 103' ' ' ARG . 19.1 p80 -123.35 120.63 33.61 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.8 0.333 . . . . 3.71 110.916 -178.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.691 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 10.3 t -112.37 160.13 18.01 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.381 -0.6 . . . . 1.48 109.381 178.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.452 ' HA ' ' O ' ' B' ' 102' ' ' ILE . 87.2 m-85 -109.06 116.25 31.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.926 0.393 . . . . 1.75 110.431 -176.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 29.8 m -115.25 155.19 16.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.937 -0.574 . . . . 1.08 110.756 -178.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' LYS . . . . . 0.454 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 46.1 mtpt -82.93 107.79 15.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 3.82 110.333 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.74 140.11 52.27 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.788 -0.642 . . . . 1.13 110.221 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 18.8 tp -73.9 104.5 4.79 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 109.039 -0.726 . . . . 1.45 109.039 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' THR . . . . . 0.582 HG22 ' HA ' ' B' ' 38' ' ' VAL . 65.3 p -129.5 166.24 20.04 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.982 -0.554 . . . . 1.15 109.625 -176.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.452 ' CG2' ' HB ' ' B' ' 37' ' ' THR . 8.8 t -118.17 116.03 25.99 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.398 0.618 . . . . 1.32 110.137 178.031 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -94.25 -25.22 17.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.841 -0.618 . . . . 2.46 110.926 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -124.73 -91.03 0.55 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.739 -0.21 . . . . 3.09 110.501 176.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -134.29 3.48 3.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.756 0.312 . . . . 3.3 111.563 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -124.97 159.47 31.17 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.085 -0.339 . . . . 2.74 110.085 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.2 128.25 43.92 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.236 -0.438 . . . . 1.44 110.178 178.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.75 152.57 42.45 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.327 -0.397 . . . . 1.39 110.648 -178.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -75.37 100.46 4.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.125 0.488 . . . . 2.35 110.136 178.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 100' ' ' ARG . . . . . 0.483 ' HB3' ' OD2' ' B' ' 30' ' ' ASP . 33.2 mmt180 -100.26 165.42 11.49 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.587 -0.733 . . . . 3.48 110.137 -179.104 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -104.2 101.79 11.52 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.662 -0.866 . . . . 1.98 108.662 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' B' ' 86' ' ' PHE . 44.9 pt -112.15 144.9 19.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.117 0.484 . . . . 0.86 111.334 -170.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.691 ' HA ' ' O ' ' B' ' 85' ' ' THR . 13.9 ptm180 -79.56 123.79 27.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.143 -0.935 . . . . 3.72 111.227 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 104' ' ' ILE . . . . . 0.457 HD12 ' O ' ' B' ' 54' ' ' PHE . 35.7 pt -125.34 157.97 33.99 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 CA-C-N 115.502 -0.772 . . . . 0.83 110.011 173.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -65.53 118.35 9.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.73 -0.668 . . . . 1.69 110.075 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' THR . . . . . 0.461 ' O ' ' HB ' ' B' ' 56' ' ' THR . 1.7 m -93.32 -56.81 2.81 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.834 -0.621 . . . . 2.29 111.238 -172.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -159.63 155.7 26.63 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.829 -0.623 . . . . 1.15 109.974 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' CYS . . . . . 0.691 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 35.7 t -96.14 108.89 21.4 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.351 -0.611 . . . . 1.56 109.351 178.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.418 HG22 ' O ' ' B' ' 81' ' ' THR . 21.9 m -99.39 150.15 5.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.984 -0.553 . . . . 1.08 110.77 -174.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.592 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 54.0 t -100.95 115.24 29.98 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.567 -0.531 . . . . 1.45 109.567 177.008 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.432 HG22 ' O ' ' B' ' 79' ' ' TYR . 15.6 m -89.75 149.31 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 N-CA-C 109.642 -0.503 . . . . 1.52 109.642 177.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.558 ' HB3' ' CE3' ' B' ' 76' ' ' TRP . 94.2 mt -118.88 139.65 51.28 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.984 0.421 . . . . 1.67 110.604 -178.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.425 ' OG ' ' HB3' ' B' ' 77' ' ' ASN . 29.7 p -131.45 150.27 52.21 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.241 -0.436 . . . . 2.62 110.082 175.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -75.85 8.52 3.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.402 -0.363 . . . . 6.72 111.658 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt 74.82 -51.05 0.67 Allowed 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.618 0.767 . . . . 4.59 110.295 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -83.98 170.67 13.72 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.437 -0.579 . . . . 4.5 109.437 172.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 64.0 p 58.16 168.49 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.03 0.932 . . . . 5.74 112.266 -178.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 118' ' ' ARG . . . . . . . . . . . . . 77.1 mtm180 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.306 -0.854 . . . . 8.68 109.941 -179.427 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 120.815 0.341 . . . . 13.98 111.024 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.9 t -109.81 -3.69 16.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.903 0.383 . . . . 12.75 110.681 -178.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.0 p -79.28 75.0 5.86 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.3 -0.409 . . . . 11.35 110.847 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.401 ' C ' ' H ' ' A' ' 6' ' ' VAL . 33.4 t60 59.14 79.82 0.29 Allowed Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 115.83 -0.623 . . . . 10.28 110.154 -179.212 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.68 32.82 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.79 2.327 . . . . 7.63 112.588 -178.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 6' ' ' VAL . 6.2 t 60.16 19.22 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 115.443 -0.799 . . . . 6.65 110.704 178.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 12.4 t80 55.78 53.41 9.45 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.612 -0.722 . . . . 7.27 109.767 -176.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.1 t60 63.38 44.04 5.71 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.667 -0.697 . . . . 7.72 110.02 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 71.5 mtp 62.15 26.41 15.87 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.819 -0.628 . . . . 5.34 111.007 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.9 142.12 11.6 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 111.41 -0.676 . . . . 3.98 111.41 -176.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -74.64 75.46 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.43 0.633 . . . . 4.63 110.309 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -47.86 137.35 9.93 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 114.81 -1.087 . . . . 3.65 111.489 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.5 m -123.75 137.54 54.67 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.715 -0.675 . . . . 2.42 110.159 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.5 m -63.79 -23.33 33.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 121.165 0.507 . . . . 1.41 110.6 176.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.7 t -132.47 133.61 44.05 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.584 -0.895 . . . . 1.75 108.584 173.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -67.26 130.31 42.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.301 0.572 . . . . 2.87 110.996 -175.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.43 ' HB2' HG22 ' A' ' 56' ' ' THR . 32.8 p -123.91 148.15 47.09 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.689 -0.687 . . . . 1.72 110.34 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.47 115.35 49.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.244 0.545 . . . . 1.51 110.21 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.6 p -94.72 113.82 25.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.673 -0.694 . . . . 1.66 110.179 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.5 t -121.61 138.19 52.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.039 -0.528 . . . . 1.03 110.666 -176.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 86.9 m95 -90.82 95.57 10.2 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.42 -0.955 . . . . 1.61 108.42 169.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.1 t -69.57 117.84 12.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.634 -0.712 . . . . 0.96 109.765 -176.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.493 ' HA2' ' CD1' ' A' ' 52' ' ' TYR . . . -73.87 -35.04 55.11 Favored Glycine 0 N--CA 1.44 -1.042 0 CA-C-N 115.561 -0.745 . . . . 1.27 112.659 -175.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -138.23 71.68 1.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.805 0.302 . . . . 3.02 111.397 -175.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.8 tttp -71.83 131.57 43.23 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.031 -0.729 . . . . 1.32 109.031 173.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 37' ' ' THR . 11.5 t -102.54 -33.21 9.57 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.847 0.684 . . . . 1.82 112.847 -171.04 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.7 p -141.63 144.0 33.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.031 -0.418 . . . . 1.01 111.742 -176.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.47 159.47 38.67 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.837 -0.62 . . . . 0.79 110.512 175.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.7 m -96.03 120.64 36.68 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.406 -0.361 . . . . 1.02 110.649 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -67.81 160.64 27.87 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.914 -0.585 . . . . 1.85 109.788 174.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.5 tt -54.9 -30.84 23.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.765 0.317 . . . . 1.33 111.515 -177.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -80.06 2.56 23.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.528 -0.306 . . . . 2.22 111.539 -177.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.37 28.49 27.39 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.936 -0.649 . . . . 1.25 112.011 178.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -101.92 113.06 25.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.483 0.182 . . . . 2.14 110.686 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -76.55 113.91 14.69 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.308 -0.997 . . . . 2.19 108.308 173.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.0 m -130.44 159.41 42.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-O 121.185 0.517 . . . . 1.02 111.811 -171.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.408 ' HB ' ' CG2' ' A' ' 92' ' ' THR . 26.0 m -81.81 115.46 21.03 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.017 -0.992 . . . . 1.04 110.01 178.027 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.4 t -85.27 140.36 16.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.645 -0.707 . . . . 1.1 110.367 -177.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.7 mt -105.59 123.53 48.06 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.484 -0.561 . . . . 1.91 109.484 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.33 -20.05 57.63 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.985 -0.552 . . . . 2.18 110.453 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -105.42 115.54 30.43 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.451 -0.944 . . . . 3.59 108.451 178.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.474 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 20.9 m -97.86 129.62 47.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 C-N-CA 120.459 -0.497 . . . . 2.4 110.751 -176.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.418 ' H ' HD22 ' A' ' 90' ' ' LEU . 2.4 p-10 -104.12 115.7 30.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.533 0.682 . . . . 3.25 110.319 177.048 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 70.3 mt -109.11 95.09 3.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.529 -0.76 . . . . 2.77 109.042 174.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 67.76 -83.2 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.312 -0.858 . . . . 3.84 110.326 -176.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -136.28 24.89 3.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.051 0.453 . . . . 4.76 110.614 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.5 t -123.12 114.37 20.24 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.512 -0.551 . . . . 3.33 109.512 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.474 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 41.8 t -112.93 122.68 67.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.094 -0.503 . . . . 2.37 110.424 -179.258 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.451 ' O ' HG22 ' A' ' 42' ' ' VAL . 42.1 p90 -149.89 152.09 34.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.415 -0.357 . . . . 4.13 110.675 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.16 146.99 35.89 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.539 -0.541 . . . . 4.84 109.539 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.05 1.26 2.45 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.939 -0.304 . . . . 4.56 111.435 -178.583 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.493 ' CD1' ' HA2' ' A' ' 23' ' ' GLY . 7.1 m-85 68.27 176.21 0.26 Allowed 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.856 0.723 . . . . 2.46 111.122 178.301 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -127.16 125.07 40.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 1.16 110.602 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -84.39 108.53 17.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.772 0.32 . . . . 3.56 110.621 -177.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -123.5 136.73 54.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.161 -0.472 . . . . 1.49 110.407 178.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.43 HG22 ' HB2' ' A' ' 17' ' ' SER . 32.5 m -117.03 110.02 17.71 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.052 -0.522 . . . . 1.07 109.606 178.422 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -104.03 146.38 28.79 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.234 -0.439 . . . . 2.48 110.63 -173.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.543 ' SG ' HG23 ' A' ' 82' ' ' THR . 73.1 m -72.23 122.33 20.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.299 -0.41 . . . . 1.73 110.332 176.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -79.15 86.04 4.99 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.439 -0.578 . . . . 3.48 109.439 176.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 72.89 139.96 0.06 Allowed 'General case' 0 N--CA 1.465 0.296 0 O-C-N 124.082 0.864 . . . . 2.58 110.195 -171.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 41.4 m -76.21 -4.32 41.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.068 -0.515 . . . . 2.76 112.04 -174.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -149.26 104.9 3.33 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.435 -0.348 . . . . 2.59 110.112 177.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.78 -34.48 61.45 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.278 1.985 . . . . 2.57 111.558 175.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.8 m -121.4 154.65 25.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.863 -0.608 . . . . 2.53 109.574 176.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -79.1 65.05 4.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.313 0.578 . . . . 4.19 110.779 -175.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 76.0 p -177.87 -28.15 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.979 -1.009 . . . . 3.9 109.412 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.448 ' CA ' ' HB2' ' A' ' 78' ' ' SER . . . 162.13 -114.34 0.6 Allowed Glycine 0 N--CA 1.442 -0.966 0 CA-C-N 115.418 -0.81 . . . . 2.6 112.055 179.047 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 73.8 m -116.66 166.34 12.23 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.108 -0.33 . . . . 1.73 110.108 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.442 HH11 ' HD3' ' A' ' 69' ' ' ARG . 33.2 mtm180 -72.67 131.88 42.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.491 -0.322 . . . . 3.94 110.523 -178.403 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.52 -34.57 4.65 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.773 -0.727 . . . . 1.61 112.494 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.2 mm -63.94 132.57 29.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.907 0.384 . . . . 1.65 111.578 -177.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -67.77 105.93 2.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.711 -0.677 . . . . 3.32 109.432 173.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.493 ' HA ' ' O ' ' A' ' 76' ' ' TRP . 19.9 m -79.16 1.2 25.3 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.042 -0.526 . . . . 4.63 111.645 -173.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -90.13 -41.23 11.76 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.542 -0.54 . . . . 3.06 109.542 177.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -86.45 -31.28 21.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.471 -0.786 . . . . 3.51 111.245 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.493 ' O ' ' HA ' ' A' ' 73' ' ' SER . 84.6 m95 -137.28 130.77 31.33 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.847 0.314 . . . . 3.17 111.847 -175.022 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.573 ' HB3' ' O ' ' A' ' 113' ' ' SER . 28.0 t-20 -92.53 135.34 34.14 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 107.368 -1.345 . . . . 2.69 107.368 167.155 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.805 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 0.9 OUTLIER -111.37 151.14 28.8 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.112 0.482 . . . . 1.93 111.728 -170.473 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -147.25 133.79 19.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.375 -0.829 . . . . 3.73 109.064 177.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.468 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 34.6 m -81.33 123.43 28.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.841 0.353 . . . . 1.67 110.422 -178.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.8 m -128.13 129.13 46.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.168 -0.469 . . . . 2.24 109.926 -177.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.543 HG23 ' SG ' ' A' ' 58' ' ' CYS . 1.2 p -80.41 134.12 35.97 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.016 0.436 . . . . 2.78 111.442 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.9 p -76.79 137.46 39.27 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 121.324 0.583 . . . . 2.69 110.69 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -103.45 119.93 39.85 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.152 -0.931 . . . . 3.71 111.07 -173.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.549 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 13.2 t -125.99 161.9 26.49 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.555 -0.535 . . . . 1.48 109.555 176.533 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -110.33 119.63 39.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.838 0.352 . . . . 1.75 110.458 -177.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.6 m -113.85 153.51 15.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.061 -0.518 . . . . 1.08 111.303 -178.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.445 ' HG2' ' CE2' ' A' ' 101' ' ' PHE . 89.0 mttt -80.01 105.96 11.68 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.244 -0.889 . . . . 3.82 110.166 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.82 144.37 51.09 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.183 -0.462 . . . . 1.13 110.541 -178.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.418 HD22 ' H ' ' A' ' 43' ' ' ASN . 29.1 tp -80.83 133.06 35.54 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.232 -0.655 . . . . 1.45 109.232 178.216 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 67.4 p -129.29 160.63 32.39 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.882 -0.414 . . . . 1.14 109.882 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.408 ' CG2' ' HB ' ' A' ' 37' ' ' THR . 4.7 t -99.77 110.22 22.61 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.465 0.65 . . . . 1.32 109.429 175.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -69.15 -33.94 74.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.395 -0.82 . . . . 2.47 109.895 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -175.82 -73.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.257 -0.883 . . . . 3.09 108.768 176.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.433 ' HB2' ' NE2' ' A' ' 96' ' ' GLN . 52.6 mttp -108.82 -24.66 11.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.848 -0.615 . . . . 3.29 109.694 174.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.433 ' NE2' ' HB2' ' A' ' 95' ' ' LYS . 22.2 mp0 -103.03 152.0 21.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.563 -0.744 . . . . 2.74 110.431 -176.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -98.83 125.47 44.22 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.065 -0.516 . . . . 1.44 110.123 176.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -129.08 141.92 51.06 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.31 -0.405 . . . . 1.38 110.664 -177.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -77.65 126.38 30.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.071 -0.513 . . . . 2.35 110.542 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -122.73 172.19 8.61 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.278 -0.419 . . . . 3.48 110.105 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.445 ' CE2' ' HG2' ' A' ' 88' ' ' LYS . 89.8 m-85 -113.36 106.6 14.78 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.348 -0.982 . . . . 1.98 108.348 176.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 39.6 pt -111.94 143.94 20.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.235 0.54 . . . . 0.86 111.351 -170.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.549 ' HA ' ' O ' ' A' ' 85' ' ' THR . 38.0 ptt180 -77.47 123.9 27.18 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.079 -0.964 . . . . 3.71 110.48 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 45.5 pt -123.27 151.91 27.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.989 -0.551 . . . . 0.83 110.319 174.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.425 ' HB3' ' HB ' ' A' ' 82' ' ' THR . 13.4 m-20 -79.14 100.6 7.5 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.362 -0.977 . . . . 1.69 108.362 175.256 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.474 HG21 ' OG1' ' B' ' 106' ' ' THR . 8.9 t -94.29 -18.67 21.41 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 112.394 0.516 . . . . 2.29 112.394 -169.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -160.96 171.73 18.18 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.855 -0.424 . . . . 1.14 109.855 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 51.8 t -125.39 119.92 29.64 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.881 0.372 . . . . 1.56 110.203 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.0 m -112.39 175.67 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.003 -0.544 . . . . 1.07 109.693 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.805 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 42.3 t -124.76 117.72 24.81 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 110.012 -0.366 . . . . 1.45 110.012 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 78' ' ' SER . 23.4 m -85.62 148.27 4.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.614 -0.513 . . . . 1.52 109.614 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.1 mt -119.4 136.7 54.17 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.819 -0.352 . . . . 1.67 110.782 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.573 ' O ' ' HB3' ' A' ' 77' ' ' ASN . 27.4 p -178.64 99.06 0.03 OUTLIER 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.01 -0.541 . . . . 2.62 110.839 176.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.41 ' N ' ' H ' ' A' ' 77' ' ' ASN . 26.6 tpt180 -99.81 -40.66 7.61 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.929 0.871 . . . . 6.73 108.864 167.317 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -123.62 143.9 49.94 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.29 -1.323 . . . . 4.59 109.104 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -126.35 125.72 42.71 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.905 0.383 . . . . 4.5 111.011 -177.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 39.2 p -88.25 -178.89 6.03 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.824 -0.626 . . . . 5.74 109.744 175.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 . . . . . 0 C--O 1.25 1.13 0 CA-C-O 119.011 -0.518 . . . . 8.67 110.02 -178.083 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.477 0.924 0 CA-C-O 120.561 0.22 . . . . 13.98 110.753 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -109.09 -4.28 16.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.846 0.355 . . . . 12.76 110.727 -177.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 3.8 p -78.55 75.36 5.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.256 -0.429 . . . . 11.36 110.916 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' HIS . . . . . 0.412 ' C ' ' H ' ' B' ' 6' ' ' VAL . 32.7 t60 58.82 79.63 0.3 Allowed Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 115.784 -0.643 . . . . 10.29 110.217 -179.405 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.16 32.47 0.37 Allowed 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.903 2.402 . . . . 7.63 112.638 -178.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' VAL . . . . . 0.424 ' O ' HG12 ' B' ' 6' ' ' VAL . 6.3 t 60.49 18.88 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 115.535 -0.757 . . . . 6.65 110.639 178.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 12.6 t80 56.0 53.49 9.11 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.481 -0.781 . . . . 7.27 109.779 -176.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 31.4 t60 63.31 43.94 5.86 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.57 -0.741 . . . . 7.72 110.058 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 72.1 mtp 62.18 26.73 16.06 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.782 -0.644 . . . . 5.34 110.89 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.91 142.59 11.89 Favored Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 111.355 -0.698 . . . . 3.98 111.355 -176.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -75.04 76.25 2.23 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.511 0.672 . . . . 4.62 110.174 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -48.4 137.19 11.63 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 114.662 -1.154 . . . . 3.65 111.651 -179.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 10.6 m -123.65 137.41 54.73 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.706 -0.679 . . . . 2.42 110.144 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.0 m -63.74 -23.2 32.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 121.299 0.571 . . . . 1.41 110.612 176.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 43.5 t -132.62 133.75 44.02 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.54 -0.911 . . . . 1.75 108.54 173.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -67.48 130.69 43.83 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.201 0.524 . . . . 2.87 111.03 -175.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.439 ' HB2' HG22 ' B' ' 56' ' ' THR . 31.8 p -123.97 148.45 46.93 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.675 -0.693 . . . . 1.72 110.229 -178.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.75 115.23 48.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.228 0.537 . . . . 1.51 110.128 177.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 17.2 p -94.59 114.1 26.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.753 -0.658 . . . . 1.66 110.115 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 60.0 t -122.03 138.18 53.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.113 -0.494 . . . . 1.03 110.61 -176.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -91.09 95.49 10.11 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.364 -0.976 . . . . 1.61 108.364 169.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 51.2 t -69.54 118.11 13.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.607 -0.724 . . . . 0.96 109.651 -176.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.491 ' HA2' ' CD1' ' B' ' 52' ' ' TYR . . . -74.04 -35.05 54.5 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-N 115.499 -0.773 . . . . 1.27 112.621 -176.013 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -138.4 71.74 1.4 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.862 0.331 . . . . 3.01 111.382 -175.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -71.95 131.69 43.3 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.072 -0.714 . . . . 1.32 109.072 173.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 10.3 t -102.41 -33.15 9.65 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.781 0.66 . . . . 1.82 112.781 -170.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 7.8 p -141.66 144.23 34.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.952 0.406 . . . . 1.0 111.806 -176.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.43 159.46 38.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.921 -0.581 . . . . 0.79 110.459 175.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 8.1 m -95.89 120.56 36.38 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.306 -0.406 . . . . 1.01 110.701 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -68.09 160.66 28.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.856 -0.611 . . . . 1.84 109.872 174.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 13.4 tt -54.7 -31.0 23.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-O 120.806 0.336 . . . . 1.33 111.681 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -79.98 2.74 22.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.44 -0.346 . . . . 2.22 111.421 -177.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.0 28.55 28.22 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.795 -0.717 . . . . 1.25 112.036 178.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -101.85 113.16 26.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.498 0.189 . . . . 2.14 110.745 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -76.46 114.05 14.74 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.291 -1.003 . . . . 2.19 108.291 173.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 13.9 m -130.73 159.46 42.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.144 0.497 . . . . 1.01 111.891 -171.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' THR . . . . . 0.428 ' HB ' ' CG2' ' B' ' 92' ' ' THR . 23.7 m -81.52 115.62 20.91 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.94 -1.027 . . . . 1.04 110.024 178.013 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 58.6 t -85.33 140.44 15.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.743 -0.662 . . . . 1.1 110.219 -177.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 65.4 mt -105.68 123.32 47.74 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.529 -0.545 . . . . 1.91 109.529 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.83 -20.03 58.46 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.368 0.604 . . . . 2.18 110.653 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -105.42 115.58 30.5 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.419 -0.956 . . . . 3.59 108.419 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.486 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 21.1 m -97.97 129.74 47.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 C-N-CA 120.324 -0.55 . . . . 2.39 110.733 -176.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.427 ' H ' HD22 ' B' ' 90' ' ' LEU . 2.4 p-10 -104.22 115.6 30.68 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.478 0.656 . . . . 3.25 110.233 177.134 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 70.6 mt -108.9 95.15 3.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 108.919 -0.771 . . . . 2.77 108.919 174.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 67.63 -83.07 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.356 -0.838 . . . . 3.84 110.409 -176.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -136.71 25.61 3.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.946 0.403 . . . . 4.76 110.528 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 43.5 t -123.61 114.15 19.63 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.452 -0.574 . . . . 3.33 109.452 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 42.2 t -112.64 123.17 68.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.054 -0.521 . . . . 2.38 110.214 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' PHE . . . . . 0.441 ' O ' HG22 ' B' ' 42' ' ' VAL . 41.5 p90 -150.19 152.44 34.64 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.294 -0.412 . . . . 4.13 110.523 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.7 146.92 36.67 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.408 -0.59 . . . . 4.84 109.408 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.08 1.6 2.48 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.931 -0.308 . . . . 4.56 111.434 -178.578 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' TYR . . . . . 0.491 ' CD1' ' HA2' ' B' ' 23' ' ' GLY . 7.0 m-85 68.15 176.44 0.26 Allowed 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.736 0.648 . . . . 2.45 111.177 178.199 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -127.46 124.95 39.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.229 -0.441 . . . . 1.16 110.562 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -84.23 108.37 17.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.682 0.277 . . . . 3.56 110.595 -177.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -123.48 136.72 54.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.365 -0.379 . . . . 1.49 110.443 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.439 HG22 ' HB2' ' B' ' 17' ' ' SER . 32.0 m -116.93 110.26 18.09 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.091 -0.504 . . . . 1.07 109.723 178.318 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -104.25 146.26 29.04 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.227 -0.442 . . . . 2.48 110.571 -173.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' CYS . . . . . 0.551 ' SG ' HG23 ' B' ' 82' ' ' THR . 73.0 m -72.37 121.95 20.38 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.191 -0.459 . . . . 1.73 110.329 177.028 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -78.71 85.98 4.7 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.481 -0.563 . . . . 3.49 109.481 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . 72.91 139.94 0.06 Allowed 'General case' 0 N--CA 1.464 0.256 0 O-C-N 124.206 0.941 . . . . 2.58 110.315 -171.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 45.9 m -76.23 -4.46 42.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.127 -0.488 . . . . 2.76 112.098 -174.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -148.85 105.37 3.42 Favored Pre-proline 0 C--O 1.234 0.248 0 CA-C-N 116.378 -0.373 . . . . 2.59 110.084 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -64.01 -34.6 58.32 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.225 1.95 . . . . 2.57 111.491 175.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 28.3 m -121.39 154.75 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.907 -0.588 . . . . 2.53 109.567 176.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -78.93 64.57 3.91 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.357 0.599 . . . . 4.2 110.827 -176.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 73.4 p -177.6 -28.05 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.168 -0.924 . . . . 3.9 109.404 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.452 ' CA ' ' HB2' ' B' ' 78' ' ' SER . . . 161.95 -114.44 0.61 Allowed Glycine 0 N--CA 1.44 -1.073 0 CA-C-N 115.519 -0.764 . . . . 2.6 112.03 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 73.8 m -116.9 166.08 12.58 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.15 -0.315 . . . . 1.74 110.15 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 33.3 mtm180 -72.63 131.96 43.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.618 -0.265 . . . . 3.95 110.421 -178.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.65 -34.02 4.99 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.855 -0.688 . . . . 1.6 112.296 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 49.2 mm -64.55 132.39 30.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.902 0.382 . . . . 1.65 111.653 -177.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -67.53 105.86 1.97 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.671 -0.695 . . . . 3.32 109.372 173.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' SER . . . . . 0.479 ' HA ' ' O ' ' B' ' 76' ' ' TRP . 20.1 m -79.33 1.58 24.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.06 -0.518 . . . . 4.63 111.772 -173.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -90.48 -41.18 11.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.349 0.595 . . . . 3.06 109.49 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 30.9 m-70 -86.35 -31.53 21.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.378 -0.828 . . . . 3.51 111.12 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' TRP . . . . . 0.479 ' O ' ' HA ' ' B' ' 73' ' ' SER . 84.6 m95 -137.1 130.79 31.75 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.87 0.322 . . . . 3.17 111.87 -174.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' ASN . . . . . 0.575 ' HB3' ' O ' ' B' ' 113' ' ' SER . 28.1 t-20 -92.54 135.22 34.26 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.416 -1.327 . . . . 2.7 107.416 167.088 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.8 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 0.9 OUTLIER -111.39 151.1 28.87 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.167 0.508 . . . . 1.93 111.767 -170.473 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -147.3 133.9 19.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.383 -0.826 . . . . 3.73 109.221 177.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.465 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 34.7 m -81.32 123.26 28.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.833 0.349 . . . . 1.67 110.388 -178.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 26.3 m -127.91 129.36 46.72 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.206 -0.452 . . . . 2.25 110.014 -177.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.551 HG23 ' SG ' ' B' ' 58' ' ' CYS . 1.2 p -80.37 133.91 35.97 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.967 0.413 . . . . 2.78 111.466 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 7.1 p -76.65 137.73 39.61 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 121.215 0.531 . . . . 2.69 110.842 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -103.57 120.3 40.6 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.209 -0.905 . . . . 3.71 110.937 -172.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.563 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 13.5 t -126.28 161.91 26.69 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.568 -0.531 . . . . 1.48 109.568 176.478 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -110.42 119.58 39.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.816 0.341 . . . . 1.75 110.484 -177.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 18.7 m -113.75 153.57 15.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.116 -0.493 . . . . 1.08 111.351 -178.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' LYS . . . . . 0.454 ' HG2' ' CE2' ' B' ' 101' ' ' PHE . 89.1 mttt -80.03 105.81 11.58 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.29 -0.868 . . . . 3.82 110.179 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.77 144.38 51.09 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.141 -0.481 . . . . 1.13 110.523 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.427 HD22 ' H ' ' B' ' 43' ' ' ASN . 29.3 tp -80.95 133.1 35.46 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.164 -0.68 . . . . 1.45 109.164 178.267 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 66.8 p -129.31 160.44 33.01 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.936 -0.394 . . . . 1.15 109.936 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.428 ' CG2' ' HB ' ' B' ' 37' ' ' THR . 4.9 t -99.52 110.47 22.93 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.435 0.636 . . . . 1.32 109.393 175.047 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -69.16 -34.32 74.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.438 -0.801 . . . . 2.46 109.817 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -175.81 -72.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.235 -0.893 . . . . 3.09 109.062 176.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' LYS . . . . . 0.432 ' HB2' ' NE2' ' B' ' 96' ' ' GLN . 52.8 mttp -109.58 -23.33 11.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.856 -0.611 . . . . 3.3 109.848 174.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 96' ' ' GLN . . . . . 0.432 ' NE2' ' HB2' ' B' ' 95' ' ' LYS . 22.2 mp0 -104.07 152.01 22.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.644 -0.707 . . . . 2.74 110.495 -176.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -98.98 125.27 44.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.056 -0.52 . . . . 1.44 110.092 176.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -128.83 142.0 51.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.167 -0.47 . . . . 1.39 110.528 -177.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -77.56 126.72 31.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.217 -0.447 . . . . 2.35 110.496 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -123.13 172.13 8.8 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.04 -0.527 . . . . 3.48 110.256 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.454 ' CE2' ' HG2' ' B' ' 88' ' ' LYS . 89.9 m-85 -113.38 106.48 14.63 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.407 -0.96 . . . . 1.98 108.407 177.016 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 39.7 pt -111.89 143.95 20.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.221 0.534 . . . . 0.86 111.306 -169.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.563 ' HA ' ' O ' ' B' ' 85' ' ' THR . 37.9 ptt180 -77.48 124.04 27.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.074 -0.966 . . . . 3.72 110.34 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 45.3 pt -123.28 151.9 27.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-N 116.026 -0.534 . . . . 0.83 110.27 174.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' ASP . . . . . 0.411 ' HB3' ' HB ' ' B' ' 82' ' ' THR . 15.1 m-20 -78.94 100.59 7.32 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.401 -0.962 . . . . 1.69 108.401 175.197 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 106' ' ' THR . . . . . 0.474 ' OG1' HG21 ' A' ' 106' ' ' THR . 9.0 t -94.17 -18.83 21.33 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 112.349 0.5 . . . . 2.29 112.349 -169.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 107' ' ' ALA . . . . . 0.416 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -160.81 172.05 17.71 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.912 -0.403 . . . . 1.15 109.912 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 108' ' ' CYS . . . . . 0.465 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 51.1 t -125.44 119.94 29.63 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.872 0.368 . . . . 1.56 110.205 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 20.9 m -112.45 175.83 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.048 -0.524 . . . . 1.08 109.747 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.8 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 42.4 t -124.85 117.72 24.76 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 110.028 -0.36 . . . . 1.45 110.028 -179.137 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' B' ' 78' ' ' SER . 23.7 m -85.64 148.26 4.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.56 -0.533 . . . . 1.52 109.56 178.502 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.405 ' HB3' ' HB3' ' B' ' 76' ' ' TRP . 65.0 mt -119.38 136.77 54.13 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.851 -0.34 . . . . 1.67 110.836 -177.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.575 ' O ' ' HB3' ' B' ' 77' ' ' ASN . 32.5 p -178.76 99.01 0.03 OUTLIER 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 116.109 -0.496 . . . . 2.62 110.804 176.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 114' ' ' ARG . . . . . 0.403 ' N ' ' H ' ' B' ' 77' ' ' ASN . 26.4 tpt180 -99.93 -40.64 7.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.927 0.87 . . . . 6.72 108.746 167.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -123.62 143.41 50.25 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.176 -1.374 . . . . 4.59 109.286 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -125.81 126.43 44.51 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.776 0.322 . . . . 4.5 110.907 -177.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 40.0 p -88.61 -178.4 5.8 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.918 -0.583 . . . . 5.74 109.703 175.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 118' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 . . . . . 0 C--O 1.252 1.219 0 CA-C-O 119.176 -0.44 . . . . 8.68 110.195 -178.745 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.5 t . . . . . 0 N--CA 1.474 0.769 0 CA-C-O 120.929 0.395 . . . . 13.98 110.086 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 p -94.0 -46.66 7.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.259 -0.428 . . . . 12.75 110.505 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.2 p -73.52 120.09 18.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.076 -0.511 . . . . 11.35 110.461 178.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -129.84 97.53 23.72 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.055 -0.521 . . . . 10.28 111.338 -176.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -71.89 69.03 3.04 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.855 2.37 . . . . 7.63 112.015 176.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.616 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 61.2 t 74.63 -29.56 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 123.548 0.739 . . . . 6.65 112.35 177.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -55.13 -64.37 0.86 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.503 -0.317 . . . . 7.27 110.671 -177.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -85.32 63.05 7.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.402 0.62 . . . . 7.72 110.447 178.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.616 ' SD ' ' HA ' ' A' ' 6' ' ' VAL . 80.6 mtp -132.19 13.39 4.67 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.534 -0.757 . . . . 5.34 109.199 172.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -177.52 -79.12 0.05 OUTLIER Glycine 0 N--CA 1.442 -0.907 0 CA-C-N 114.993 -1.003 . . . . 3.98 111.426 -177.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 59.07 18.86 6.73 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 122.748 0.419 . . . . 4.63 111.438 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -81.13 83.03 6.88 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.761 -0.459 . . . . 3.65 109.761 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.1 p -60.18 132.89 55.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.984 -0.553 . . . . 2.42 110.555 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.5 m -57.03 -25.04 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 115.664 -0.698 . . . . 1.41 111.52 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.451 ' HA ' ' HG3' ' A' ' 63' ' ' PRO . 46.7 t -131.72 137.95 48.45 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.448 -0.575 . . . . 1.75 109.448 175.209 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -70.57 116.05 10.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.194 0.521 . . . . 2.87 110.229 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.0 m -121.15 135.33 55.18 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.964 -0.562 . . . . 1.72 110.785 -176.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 56' ' ' THR . 7.4 p -109.39 117.1 53.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.946 0.403 . . . . 1.51 110.366 178.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.463 ' HB2' ' CE2' ' A' ' 54' ' ' PHE . 29.1 p -100.06 121.57 41.6 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.254 -0.43 . . . . 1.66 110.396 -179.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.6 t -119.86 138.01 51.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.42 -0.355 . . . . 1.03 110.929 -177.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -97.5 95.84 7.92 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.635 -0.876 . . . . 1.61 108.635 171.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.471 HG12 ' H ' ' A' ' 24' ' ' ASP . 49.0 t -82.84 115.86 26.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.823 -0.626 . . . . 0.96 110.949 -174.413 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -97.66 14.41 63.11 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.703 -0.761 . . . . 1.27 111.934 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.471 ' H ' HG12 ' A' ' 22' ' ' VAL . 36.6 t70 -159.19 76.7 0.71 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.166 0.508 . . . . 3.02 110.472 179.025 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.675 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 59.1 tttp -99.84 110.61 22.97 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.593 -0.892 . . . . 1.32 108.593 173.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.435 ' O ' ' HA ' ' A' ' 37' ' ' THR . 14.7 t -82.47 -29.95 30.27 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.185 0.439 . . . . 1.82 112.185 -170.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.9 p -140.96 145.32 35.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.22 0.533 . . . . 1.01 112.015 -176.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.34 162.49 38.06 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.704 -0.68 . . . . 0.79 110.012 175.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.4 m -95.07 118.75 32.4 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 116.171 -0.468 . . . . 1.02 110.565 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -65.99 157.9 29.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.02 -0.991 . . . . 1.85 108.958 175.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.3 tt -62.38 -20.19 24.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.254 0.55 . . . . 1.33 110.467 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -75.25 -8.72 57.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.649 -0.705 . . . . 2.22 110.495 176.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.83 17.74 55.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.165 -0.54 . . . . 1.25 111.799 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -103.24 159.16 15.8 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.616 0.246 . . . . 2.14 110.746 -177.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -99.2 116.7 32.01 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.887 -0.412 . . . . 2.19 109.887 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.3 m -117.97 154.59 19.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.23 -0.441 . . . . 1.02 111.186 -177.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 26' ' ' THR . 36.0 m -89.01 115.86 26.88 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.658 -0.701 . . . . 1.04 110.28 -179.463 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.675 ' HB ' ' O ' ' A' ' 25' ' ' LYS . 39.7 t -86.07 140.09 16.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.214 -0.448 . . . . 1.1 110.65 -174.605 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 46.8 mt -109.28 121.76 45.88 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.851 -0.426 . . . . 1.91 109.851 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' A' ' 50' ' ' ARG . . . -75.58 -32.38 60.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.321 0.581 . . . . 2.18 109.874 177.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -106.25 115.35 30.06 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.042 -0.981 . . . . 3.59 108.603 175.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 16.9 m -96.97 126.64 49.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.299 0.571 . . . . 2.4 110.844 -175.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -103.71 99.67 9.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.645 -0.707 . . . . 3.25 109.482 178.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 53.5 mt -95.81 -78.47 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.968 -0.293 . . . . 2.77 111.185 -176.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -123.91 65.59 1.04 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.555 -0.535 . . . . 3.84 109.555 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 61.23 24.11 14.25 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.367 -0.833 . . . . 4.76 110.36 -175.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.3 m -124.57 114.98 20.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.257 -0.883 . . . . 3.33 108.643 178.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.499 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 26.3 t -98.5 113.03 32.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 120.919 0.39 . . . . 2.37 110.788 -176.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.431 ' O ' HG22 ' A' ' 42' ' ' VAL . 95.0 m-85 -113.62 151.93 31.05 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.86 -0.609 . . . . 4.13 109.406 177.14 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 3.1 ptp180 -124.89 153.53 42.49 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.074 0.464 . . . . 4.84 111.031 -177.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.495 ' HB3' ' HD3' ' B' ' 88' ' ' LYS . 8.6 pt20 -142.37 133.83 26.5 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.51 -0.768 . . . . 4.56 110.457 177.064 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -91.86 123.77 35.48 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.16 -0.682 . . . . 2.46 109.16 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -80.75 113.67 19.11 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.075 0.464 . . . . 1.16 110.289 -175.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.463 ' CE2' ' HB2' ' A' ' 19' ' ' SER . 90.7 t80 -83.35 98.55 9.52 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.405 -0.816 . . . . 3.56 109.893 -176.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.562 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 29.8 mt-10 -111.16 117.36 33.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.783 -0.644 . . . . 1.49 110.072 -178.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.528 ' HB ' ' HA ' ' A' ' 107' ' ' ALA . 34.6 m -104.34 118.11 35.83 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.133 -0.485 . . . . 1.07 109.995 176.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -112.02 156.01 22.86 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.019 -0.537 . . . . 2.48 110.856 -175.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 62.8 m -80.55 122.75 27.43 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.721 -0.672 . . . . 1.73 110.159 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.421 ' O ' ' HB3' ' A' ' 60' ' ' ALA . 81.7 mtp180 -82.01 82.78 7.49 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.982 -0.747 . . . . 3.48 108.982 175.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 59' ' ' ARG . . . 76.31 131.35 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 O-C-N 124.383 1.052 . . . . 2.58 110.033 -172.235 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.4 p -65.42 -19.68 66.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.74 -0.664 . . . . 2.76 111.839 -175.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -137.67 88.8 15.99 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.022 -0.536 . . . . 2.59 109.698 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.451 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 9.2 Cg_endo -54.3 -38.91 88.78 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.835 2.357 . . . . 2.57 112.442 -178.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.2 m -118.62 157.12 20.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.887 -0.412 . . . . 2.53 109.887 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -79.43 71.52 6.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.27 0.557 . . . . 4.19 110.288 -177.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.7 t 175.69 -25.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.689 -1.141 . . . . 3.9 108.772 -178.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.85 -109.42 0.46 Allowed Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.381 -0.827 . . . . 2.6 111.412 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 72.8 m -110.71 167.53 10.16 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.661 0.267 . . . . 1.73 110.517 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -68.39 127.09 31.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.185 -0.462 . . . . 3.94 109.976 -178.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.59 -22.73 39.45 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.925 -0.655 . . . . 1.61 112.163 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 40.6 mm -81.05 117.47 27.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-O 120.999 0.428 . . . . 1.65 110.663 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -146.62 96.53 2.77 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.873 -0.603 . . . . 3.32 109.955 176.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.502 ' HB3' ' HB2' ' A' ' 76' ' ' TRP . 45.8 t -155.42 145.41 21.57 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.003 -0.544 . . . . 4.63 110.103 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -74.58 -11.15 60.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.499 -0.773 . . . . 3.06 110.952 -177.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.413 ' O ' ' HD2' ' A' ' 114' ' ' ARG . 53.0 m80 -123.59 19.63 9.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.138 -0.483 . . . . 3.51 111.679 -179.46 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.502 ' HB2' ' HB3' ' A' ' 73' ' ' SER . 46.7 m95 -136.98 117.17 13.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.086 0.469 . . . . 3.17 110.978 175.191 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -113.95 133.57 55.39 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.291 -1.004 . . . . 2.69 108.291 171.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.462 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 1.3 m -101.98 144.91 30.0 Favored 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 120.694 -0.403 . . . . 1.93 111.128 -174.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -139.21 135.44 33.96 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.539 -0.541 . . . . 3.73 109.539 170.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.694 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 65.5 m -88.66 129.58 35.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.73 -0.668 . . . . 1.67 110.363 -178.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.432 ' O ' HG22 ' A' ' 109' ' ' VAL . 60.5 m -135.22 132.8 38.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.179 -0.464 . . . . 2.24 110.131 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.3 p -80.71 132.68 35.58 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.131 0.491 . . . . 2.78 111.194 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.1 m -76.79 126.65 31.35 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.726 -0.67 . . . . 2.69 109.852 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.503 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 75.5 m80 -106.66 121.74 44.95 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.298 -0.41 . . . . 3.71 110.255 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.631 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 6.5 t -112.42 160.44 17.73 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.428 -0.582 . . . . 1.48 109.428 177.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.444 ' CE2' ' HB3' ' A' ' 103' ' ' ARG . 78.9 m-85 -108.31 115.55 30.32 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.911 0.386 . . . . 1.75 110.36 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.7 m -116.41 134.65 59.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.917 -0.583 . . . . 1.08 110.375 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.563 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 5.2 ptmm? -80.61 94.98 6.41 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.509 0.671 . . . . 3.82 110.958 178.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -111.26 155.06 23.56 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.081 -0.963 . . . . 1.13 109.468 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.5 tp -72.78 104.62 4.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.184 0.516 . . . . 1.45 109.94 -177.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.497 HG22 ' HA ' ' A' ' 38' ' ' VAL . 43.8 p -122.34 156.84 33.08 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.033 -0.728 . . . . 1.14 109.033 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.4 t -111.29 119.81 40.14 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.436 0.636 . . . . 1.32 110.399 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -69.94 -29.44 66.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.103 -0.953 . . . . 2.47 110.512 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -170.7 -72.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.992 -0.549 . . . . 3.09 109.881 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -112.99 -26.94 8.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.82 0.343 . . . . 3.29 110.97 177.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -92.25 138.93 31.11 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.394 -0.366 . . . . 2.74 110.688 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.22 127.44 47.8 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.323 -0.621 . . . . 1.44 109.323 172.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -146.23 151.3 37.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.723 0.297 . . . . 1.38 110.672 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -76.4 91.84 3.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.079 -0.51 . . . . 2.35 110.243 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.563 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 36.6 mmt180 -95.26 147.32 23.6 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.871 -0.604 . . . . 3.48 110.075 -176.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -81.71 105.23 12.68 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.087 -0.506 . . . . 1.98 109.761 177.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 36.3 pt -113.41 146.87 17.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.317 -0.401 . . . . 0.86 110.836 -176.383 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.631 ' HA ' ' O ' ' A' ' 85' ' ' THR . 38.2 ptt180 -84.25 124.92 31.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.666 -0.697 . . . . 3.71 111.151 -177.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.503 ' O ' ' HA ' ' A' ' 84' ' ' HIS . 40.4 pt -123.71 152.43 28.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.909 -0.587 . . . . 0.83 110.78 176.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.562 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 4.4 m-20 -83.1 110.58 18.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.716 -0.675 . . . . 1.69 109.743 178.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.511 ' HB ' ' HB ' ' B' ' 106' ' ' THR . 24.5 p -90.49 -44.06 9.84 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.144 0.424 . . . . 2.29 112.144 -175.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.528 ' HA ' ' HB ' ' A' ' 56' ' ' THR . . . -155.74 155.54 33.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.433 -0.348 . . . . 1.14 110.652 -177.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.694 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 42.4 t -100.31 113.69 26.59 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.363 -0.606 . . . . 1.56 109.363 176.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 81' ' ' THR . 18.2 m -102.79 146.37 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.972 0.415 . . . . 1.07 110.627 -176.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.462 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 41.7 t -96.43 115.89 28.16 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.867 -0.606 . . . . 1.45 109.453 176.282 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 9.6 m -115.43 145.54 21.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 116.312 -0.403 . . . . 1.52 110.024 178.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.6 mt -101.25 156.45 17.43 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.281 0.562 . . . . 1.67 110.916 -174.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.5 p -127.97 139.51 52.53 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.136 -0.938 . . . . 2.62 108.786 173.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.612 ' HB3' ' O ' ' A' ' 117' ' ' THR . 28.3 tpt180 -77.8 -5.34 50.48 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.946 0.403 . . . . 6.73 110.762 -173.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp 71.74 -71.6 0.13 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.506 -0.77 . . . . 4.59 111.781 174.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.94 -38.81 52.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.106 0.479 . . . . 4.5 110.598 -177.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.612 ' O ' ' HB3' ' A' ' 114' ' ' ARG . 14.2 p -127.6 -172.56 2.7 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.869 -0.605 . . . . 5.74 110.586 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? . . . . . 0 C--O 1.244 0.782 0 N-CA-C 108.778 -0.823 . . . . 8.67 108.778 176.547 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 40.3 t . . . . . 0 N--CA 1.478 0.974 0 CA-C-O 120.947 0.403 . . . . 13.98 110.141 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.3 p -93.36 -46.48 7.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.254 -0.43 . . . . 12.76 110.529 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 1.9 p -73.84 119.29 17.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.964 -0.562 . . . . 11.36 110.654 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 -129.16 97.41 26.07 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.04 -0.527 . . . . 10.29 111.435 -175.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -72.03 69.05 3.14 Favored 'Trans proline' 0 CA--C 1.53 0.287 0 C-N-CA 122.867 2.378 . . . . 7.63 111.915 176.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' VAL . . . . . 0.615 ' HA ' ' SD ' ' B' ' 9' ' ' MET . 58.4 t 74.91 -29.76 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 123.392 0.677 . . . . 6.65 112.292 177.396 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -54.96 -64.41 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.549 -0.296 . . . . 7.27 110.812 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -85.29 62.71 7.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.403 0.62 . . . . 7.72 110.294 178.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' MET . . . . . 0.615 ' SD ' ' HA ' ' B' ' 6' ' ' VAL . 81.5 mtp -132.12 13.28 4.7 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.636 -0.711 . . . . 5.34 109.095 173.218 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -177.6 -79.18 0.06 OUTLIER Glycine 0 N--CA 1.443 -0.854 0 CA-C-N 114.96 -1.018 . . . . 3.98 111.455 -177.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 59.35 18.31 6.63 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 122.699 0.4 . . . . 4.62 111.519 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -80.72 82.97 6.58 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.676 -0.49 . . . . 3.65 109.676 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 10.9 p -60.05 132.88 55.3 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.032 -0.531 . . . . 2.42 110.508 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.1 m -57.18 -25.02 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 CA-C-N 115.661 -0.7 . . . . 1.41 111.524 -178.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.441 ' HA ' ' HG3' ' B' ' 63' ' ' PRO . 45.3 t -131.65 137.89 48.52 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.391 -0.596 . . . . 1.75 109.391 175.038 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -70.02 116.01 9.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.117 0.484 . . . . 2.87 110.182 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 19.4 m -120.94 135.93 55.08 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.042 -0.527 . . . . 1.72 110.733 -176.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' B' ' 56' ' ' THR . 7.6 p -109.97 117.07 53.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.131 0.491 . . . . 1.51 110.343 178.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.451 ' HB2' ' CE2' ' B' ' 54' ' ' PHE . 25.5 p -100.3 121.11 40.97 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.155 -0.475 . . . . 1.66 110.51 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 44.7 t -119.78 138.06 51.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.765 0.317 . . . . 1.03 110.874 -177.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -97.54 95.93 7.96 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.594 -0.891 . . . . 1.61 108.594 171.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.489 HG12 ' H ' ' B' ' 24' ' ' ASP . 48.8 t -82.76 116.02 26.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.907 -0.588 . . . . 0.96 110.939 -174.363 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -97.83 14.67 62.68 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.695 -0.764 . . . . 1.27 112.015 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.489 ' H ' HG12 ' B' ' 22' ' ' VAL . 36.7 t70 -159.51 76.43 0.67 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.245 0.545 . . . . 3.01 110.52 178.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.657 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 59.0 tttp -99.36 111.45 23.81 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.581 -0.896 . . . . 1.32 108.581 173.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.445 ' O ' ' HA ' ' B' ' 37' ' ' THR . 14.5 t -83.2 -29.8 28.26 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.263 0.468 . . . . 1.82 112.263 -170.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 11.4 p -140.99 145.54 36.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.056 0.455 . . . . 1.0 111.829 -176.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.61 162.63 38.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.699 -0.682 . . . . 0.79 109.966 174.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 16.9 m -95.12 118.82 32.58 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.222 -0.444 . . . . 1.01 110.498 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ASP . . . . . 0.421 ' OD2' ' HB3' ' B' ' 100' ' ' ARG . 10.5 t70 -65.98 157.56 30.52 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.094 -0.957 . . . . 1.84 108.963 175.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 17.5 tt -61.95 -20.41 23.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.13 0.49 . . . . 1.33 110.432 178.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -75.02 -8.83 57.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.848 -0.615 . . . . 2.22 110.488 176.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.82 17.95 55.42 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.105 -0.569 . . . . 1.25 111.848 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -103.41 159.19 15.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.697 0.284 . . . . 2.14 110.69 -176.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -99.33 116.7 32.11 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.857 -0.423 . . . . 2.19 109.857 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 31.6 m -117.86 154.58 19.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 120.943 0.401 . . . . 1.01 111.268 -177.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' B' ' 26' ' ' THR . 29.7 m -88.65 115.98 26.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.646 -0.707 . . . . 1.04 110.293 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.657 ' HB ' ' O ' ' B' ' 25' ' ' LYS . 39.6 t -86.25 140.15 16.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.29 -0.414 . . . . 1.1 110.667 -174.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 47.1 mt -109.36 121.5 45.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.192 -0.458 . . . . 1.91 109.917 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.42 -32.03 60.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.214 0.531 . . . . 2.18 109.936 177.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -106.67 115.31 29.99 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.395 -0.965 . . . . 3.59 108.395 176.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.493 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 17.1 m -96.9 126.5 49.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.282 0.563 . . . . 2.39 110.901 -175.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -103.3 99.48 9.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.742 -0.663 . . . . 3.25 109.656 178.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 54.2 mt -95.65 -78.34 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.756 -0.378 . . . . 2.77 110.982 -176.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -124.08 65.78 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.366 -0.605 . . . . 3.84 109.366 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 60.87 24.27 14.26 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.528 -0.76 . . . . 4.76 110.416 -175.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 13.2 m -124.86 114.93 19.86 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.117 -0.947 . . . . 3.33 108.588 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 26.3 t -98.62 113.28 32.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.062 0.458 . . . . 2.38 110.635 -177.018 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' PHE . . . . . 0.417 ' O ' HG22 ' B' ' 42' ' ' VAL . 94.9 m-85 -113.63 151.99 30.99 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.619 -0.719 . . . . 4.13 109.36 177.115 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -124.92 153.46 42.64 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.99 0.424 . . . . 4.84 111.191 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.492 ' HB3' ' HD3' ' A' ' 88' ' ' LYS . 8.6 pt20 -142.33 133.95 26.74 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.666 -0.697 . . . . 4.56 110.457 177.007 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -91.97 123.77 35.58 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 109.147 -0.686 . . . . 2.45 109.147 178.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -80.72 113.54 18.99 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.147 0.499 . . . . 1.16 110.368 -175.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' PHE . . . . . 0.451 ' CE2' ' HB2' ' B' ' 19' ' ' SER . 90.6 t80 -83.26 98.56 9.47 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.408 -0.815 . . . . 3.56 109.895 -176.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' GLU . . . . . 0.566 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 30.3 mt-10 -111.18 117.17 32.48 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.769 -0.651 . . . . 1.49 110.175 -178.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.498 ' HB ' ' HA ' ' B' ' 107' ' ' ALA . 35.7 m -104.45 118.09 35.76 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.255 -0.43 . . . . 1.07 109.981 177.112 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -111.93 156.23 22.41 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.117 -0.492 . . . . 2.48 110.853 -175.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 63.3 m -80.89 122.14 26.85 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.576 -0.738 . . . . 1.73 110.278 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' ARG . . . . . 0.428 ' O ' ' HB3' ' B' ' 60' ' ' ALA . 81.6 mtp180 -81.49 82.68 7.2 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.081 -0.711 . . . . 3.49 109.081 175.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' B' ' 59' ' ' ARG . . . 76.45 131.54 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 O-C-N 124.522 1.139 . . . . 2.58 110.086 -172.213 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 29.9 p -65.65 -19.62 65.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.852 -0.613 . . . . 2.76 111.802 -175.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -137.69 88.84 15.93 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.032 -0.531 . . . . 2.59 109.763 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' PRO . . . . . 0.441 ' HG3' ' HA ' ' B' ' 15' ' ' CYS . 9.3 Cg_endo -54.51 -38.34 90.11 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.813 2.342 . . . . 2.57 112.532 -178.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 35.3 m -119.07 157.1 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.717 -0.475 . . . . 2.53 109.717 177.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -79.24 72.36 5.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.166 0.507 . . . . 4.2 110.27 -177.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 22.8 t 174.7 -25.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.856 -1.065 . . . . 3.9 108.698 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.79 -109.49 0.47 Allowed Glycine 0 N--CA 1.445 -0.764 0 CA-C-N 115.387 -0.824 . . . . 2.6 111.455 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 72.5 m -110.55 167.63 10.07 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.681 0.277 . . . . 1.74 110.392 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' B' ' 69' ' ' ARG . 45.4 mtt180 -68.34 127.25 32.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 3.95 110.083 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.11 -22.44 40.88 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.844 -0.693 . . . . 1.6 112.216 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 40.9 mm -81.42 117.21 27.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.359 . . . . 1.65 110.608 -179.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -146.63 96.92 2.84 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.818 -0.628 . . . . 3.32 109.876 176.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' SER . . . . . 0.488 ' HB3' ' HB2' ' B' ' 76' ' ' TRP . 46.2 t -155.76 145.39 21.12 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.093 -0.503 . . . . 4.63 109.87 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -74.08 -12.22 60.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.473 -0.785 . . . . 3.06 110.826 -176.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' HIS . . . . . 0.407 ' O ' ' HD2' ' B' ' 114' ' ' ARG . 52.8 m80 -122.88 19.71 10.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.356 -0.384 . . . . 3.51 111.604 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' TRP . . . . . 0.488 ' HB2' ' HB3' ' B' ' 73' ' ' SER . 47.2 m95 -136.75 117.09 13.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.899 0.38 . . . . 3.17 111.088 175.212 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -113.81 133.82 55.16 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.258 -1.015 . . . . 2.7 108.258 171.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.452 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 1.3 m -102.26 145.09 29.94 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.478 -0.489 . . . . 1.93 111.036 -174.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -139.29 135.2 33.59 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.662 -0.496 . . . . 3.73 109.662 170.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.688 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 64.1 m -88.21 129.69 35.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.694 -0.685 . . . . 1.67 110.527 -178.572 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.423 ' O ' HG22 ' B' ' 109' ' ' VAL . 56.1 m -135.32 132.92 38.27 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.294 -0.412 . . . . 2.25 110.334 -179.163 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 20.9 p -80.86 132.5 35.46 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.153 0.501 . . . . 2.78 111.41 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 22.6 m -76.67 126.64 31.33 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.785 -0.643 . . . . 2.69 109.739 177.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' HIS . . . . . 0.488 ' HA ' ' O ' ' B' ' 104' ' ' ILE . 76.0 m80 -106.76 122.05 45.59 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.288 -0.414 . . . . 3.71 110.144 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.638 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 6.5 t -112.65 160.56 17.77 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.431 -0.581 . . . . 1.48 109.431 177.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.435 ' CE2' ' HB3' ' B' ' 103' ' ' ARG . 78.5 m-85 -108.5 115.59 30.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.0 0.428 . . . . 1.75 110.317 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 23.6 m -116.47 134.5 59.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.865 -0.607 . . . . 1.08 110.418 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' LYS . . . . . 0.573 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 5.2 ptmm? -80.43 95.23 6.37 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.523 0.677 . . . . 3.82 110.833 178.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -111.54 155.09 23.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.075 -0.966 . . . . 1.13 109.432 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 18.5 tp -72.6 104.52 3.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.064 0.459 . . . . 1.45 109.862 -177.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' THR . . . . . 0.507 HG22 ' HA ' ' B' ' 38' ' ' VAL . 43.7 p -122.45 157.02 32.84 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.079 -0.711 . . . . 1.15 109.079 178.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 10.2 t -111.58 119.32 38.31 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.623 0.725 . . . . 1.32 110.6 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -69.63 -29.42 66.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.299 -0.864 . . . . 2.46 110.381 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -170.95 -71.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.975 -0.557 . . . . 3.09 110.011 178.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -113.62 -26.11 8.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.819 0.343 . . . . 3.3 110.923 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -93.12 138.98 31.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.385 -0.37 . . . . 2.74 110.492 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.27 127.62 47.79 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.179 -0.674 . . . . 1.44 109.179 172.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -146.37 151.36 37.34 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.769 0.318 . . . . 1.39 110.639 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 75.0 m95 -76.47 92.36 3.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.119 -0.491 . . . . 2.35 110.045 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 100' ' ' ARG . . . . . 0.573 ' O ' ' HA ' ' B' ' 88' ' ' LYS . 36.6 mmt180 -95.63 147.18 23.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.709 -0.678 . . . . 3.48 110.027 -177.164 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -81.71 105.48 12.88 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.631 -0.507 . . . . 1.98 109.631 177.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 36.2 pt -113.5 146.94 17.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.217 -0.447 . . . . 0.86 110.908 -176.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.638 ' HA ' ' O ' ' B' ' 85' ' ' THR . 38.3 ptt180 -84.28 124.65 31.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.694 -0.685 . . . . 3.72 111.319 -177.442 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 104' ' ' ILE . . . . . 0.488 ' O ' ' HA ' ' B' ' 84' ' ' HIS . 40.5 pt -123.64 152.34 28.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.036 -0.529 . . . . 0.83 110.783 176.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 105' ' ' ASP . . . . . 0.566 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 4.3 m-20 -82.99 110.67 18.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.587 -0.733 . . . . 1.69 109.851 178.585 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 106' ' ' THR . . . . . 0.511 ' HB ' ' HB ' ' A' ' 106' ' ' THR . 24.4 p -90.42 -43.98 9.93 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.074 0.398 . . . . 2.29 112.074 -175.098 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 107' ' ' ALA . . . . . 0.498 ' HA ' ' HB ' ' B' ' 56' ' ' THR . . . -155.89 155.5 32.99 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.553 -0.294 . . . . 1.15 110.686 -177.519 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 108' ' ' CYS . . . . . 0.688 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 42.1 t -100.38 113.36 26.05 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.406 -0.59 . . . . 1.56 109.406 176.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.423 HG22 ' O ' ' B' ' 81' ' ' THR . 18.2 m -102.58 146.31 10.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.979 0.418 . . . . 1.08 110.631 -176.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 41.7 t -96.32 115.97 28.28 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.845 -0.616 . . . . 1.45 109.478 176.201 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 9.9 m -115.52 145.57 21.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.363 -0.38 . . . . 1.52 110.145 178.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 61.4 mt -101.18 156.28 17.52 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.975 -0.557 . . . . 1.67 110.871 -174.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 15.4 p -127.82 139.74 52.46 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.157 -0.928 . . . . 2.62 108.768 173.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 114' ' ' ARG . . . . . 0.612 ' HB3' ' O ' ' B' ' 117' ' ' THR . 28.5 tpt180 -78.18 -4.94 50.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.309 -0.405 . . . . 6.72 110.656 -173.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp 71.42 -71.66 0.13 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.538 -0.755 . . . . 4.59 111.898 174.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.9 -38.22 53.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.989 0.423 . . . . 4.5 110.844 -177.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 117' ' ' THR . . . . . 0.612 ' O ' ' HB3' ' B' ' 114' ' ' ARG . 11.8 p -128.3 -172.85 2.8 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.855 -0.611 . . . . 5.74 110.395 -179.385 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 118' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? . . . . . 0 C--O 1.247 0.95 0 N-CA-C 108.781 -0.822 . . . . 8.68 108.781 176.509 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.478 0.929 0 CA-C-O 120.906 0.384 . . . . 13.98 110.819 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 p -65.89 -47.6 74.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.006 0.431 . . . . 12.75 110.671 -178.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.5 p -87.19 103.6 15.57 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.19 -0.459 . . . . 11.35 110.232 176.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -135.18 88.0 27.14 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 121.226 0.536 . . . . 10.28 111.103 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.406 ' HG2' ' H ' ' A' ' 8' ' ' HIS . 92.0 Cg_endo -84.23 43.5 1.37 Allowed 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.571 2.181 . . . . 7.63 111.898 178.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 t 59.4 35.89 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 115.749 -0.66 . . . . 6.65 109.949 -178.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.7 t80 55.96 50.09 14.54 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.58 -0.736 . . . . 7.27 109.643 -174.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.406 ' H ' ' HG2' ' A' ' 5' ' ' PRO . 44.4 t60 57.33 49.61 12.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.308 -0.86 . . . . 7.72 109.579 -175.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 56.1 tpp 73.85 -35.25 0.3 Allowed 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.198 -0.91 . . . . 5.34 111.01 -176.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.13 -179.37 16.57 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.908 -0.663 . . . . 3.98 112.131 175.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.47 29.08 6.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.393 0.616 . . . . 4.63 109.807 176.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -68.21 128.33 36.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.334 -0.848 . . . . 3.65 110.365 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.1 t -151.97 161.61 42.37 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.131 -0.486 . . . . 2.42 109.876 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 m -75.57 -17.35 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.954 -0.566 . . . . 1.41 110.711 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 97.7 m -123.15 124.64 43.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.785 -0.643 . . . . 1.75 109.876 176.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.97 115.49 2.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 2.87 110.566 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.5 m -124.96 130.21 51.9 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.129 -0.487 . . . . 1.72 110.415 -177.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' A' ' 56' ' ' THR . 7.1 p -112.47 115.54 50.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.133 0.492 . . . . 1.51 110.716 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 47.9 m -89.87 117.43 28.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.303 -0.408 . . . . 1.66 110.067 177.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.2 t -118.97 138.41 49.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.141 -0.482 . . . . 1.03 110.066 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -102.69 95.79 6.45 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.241 -0.652 . . . . 1.61 109.241 175.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.0 t -93.69 108.68 20.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.5 -0.773 . . . . 0.96 110.487 -175.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.39 11.25 58.24 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.404 -0.903 . . . . 1.27 112.032 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -132.71 29.58 4.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.709 0.29 . . . . 3.02 110.838 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.634 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 85.6 tttt -75.92 108.5 8.84 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.122 -0.695 . . . . 1.32 109.122 177.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.1 t -95.05 -7.79 38.58 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.037 0.384 . . . . 1.82 112.037 -173.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.4 p -141.54 134.17 28.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.723 0.297 . . . . 1.01 110.966 177.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.49 161.26 40.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.184 -0.462 . . . . 0.79 110.507 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.0 m -96.34 116.98 29.91 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.175 0.512 . . . . 1.02 110.788 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.409 ' CG ' HH21 ' A' ' 100' ' ' ARG . 20.8 t70 -65.72 164.89 13.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.079 -0.964 . . . . 1.85 110.758 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.464 ' HA ' ' CE2' ' A' ' 86' ' ' PHE . 16.0 tt -61.05 -28.89 44.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.671 0.272 . . . . 1.33 111.199 -179.558 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -78.22 -11.45 59.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.454 -0.339 . . . . 2.22 110.87 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.57 14.92 36.19 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.753 -0.736 . . . . 1.25 112.565 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -94.3 141.61 28.37 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.433 -0.21 . . . . 2.14 110.433 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -85.74 115.19 23.25 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.909 -0.775 . . . . 2.19 108.909 173.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 m -115.54 153.62 17.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.057 -0.52 . . . . 1.02 111.002 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.7 m -88.69 108.63 19.57 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.384 -0.825 . . . . 1.04 110.515 -177.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.634 ' HB ' ' O ' ' A' ' 25' ' ' LYS . 15.6 t -79.4 136.87 22.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.089 -0.708 . . . . 1.1 109.089 178.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.0 mt -82.35 2.82 30.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.723 -0.217 . . . . 1.91 111.42 -176.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.568 ' H ' HG12 ' A' ' 38' ' ' VAL . . . 69.64 -45.97 0.58 Allowed 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.926 0.89 . . . . 2.18 111.677 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -127.09 149.82 49.76 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.386 -0.598 . . . . 3.59 109.386 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.7 m -96.85 124.68 49.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.545 -0.539 . . . . 2.4 109.545 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -78.43 149.2 33.32 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.519 -0.549 . . . . 3.25 109.519 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.464 ' HB ' ' HB ' ' A' ' 48' ' ' VAL . 14.6 tt -71.45 77.05 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-O 122.061 0.934 . . . . 2.77 112.66 -171.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -90.1 -3.67 57.78 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.71 -1.219 . . . . 3.84 107.71 163.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.417 ' HB2' ' HB2' ' B' ' 46' ' ' ASN . 2.7 t-20 -163.98 -46.93 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 113.862 -1.517 . . . . 4.76 108.371 176.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.6 p -147.18 159.25 43.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.534 -0.757 . . . . 3.33 109.566 177.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.464 ' HB ' ' HB ' ' A' ' 44' ' ' ILE . 4.1 p -123.81 112.62 33.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.473 0.654 . . . . 2.37 110.776 177.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -145.8 140.31 27.02 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.472 -0.786 . . . . 4.13 110.094 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 50' ' ' ARG . 13.1 ttm180 -78.26 127.89 32.91 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.35 -0.611 . . . . 4.84 109.35 173.236 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.85 90.02 6.89 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.26 -0.427 . . . . 4.56 110.46 -175.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -75.38 122.28 23.53 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.233 -0.655 . . . . 2.46 109.233 173.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -96.74 118.84 34.06 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.039 -0.528 . . . . 1.16 110.173 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -83.9 93.74 8.09 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.543 0.687 . . . . 3.56 109.422 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.455 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 16.6 mt-10 -108.67 107.92 18.57 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.653 -0.703 . . . . 1.49 110.137 -176.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.533 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 42.3 m -96.02 104.66 16.62 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.599 -0.728 . . . . 1.07 109.568 176.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -102.75 151.75 22.03 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.561 -0.745 . . . . 2.48 110.331 -174.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.6 t -89.82 125.27 35.26 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.065 -0.516 . . . . 1.73 110.581 -176.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -96.99 16.02 20.71 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.037 -0.529 . . . . 3.48 110.372 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -146.76 172.41 13.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.787 -0.642 . . . . 2.58 110.331 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.1 m -140.45 -48.51 0.44 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.457 -0.571 . . . . 2.76 109.457 176.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -137.04 89.75 16.44 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 108.826 -0.805 . . . . 2.59 108.826 173.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -50.03 -31.26 27.16 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 123.456 2.771 . . . . 2.57 113.567 -177.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 36.0 m -124.49 -177.95 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.981 -0.287 . . . . 2.53 110.542 174.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -46.87 -45.02 20.06 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 113.023 0.749 . . . . 4.19 113.023 -175.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.459 ' HB3' ' OG ' ' A' ' 73' ' ' SER . 21.2 t -146.44 54.7 1.13 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.144 0.497 . . . . 3.9 110.401 -178.515 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.87 -156.02 26.84 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.405 -0.902 . . . . 2.6 112.617 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 71.7 m -100.55 160.92 13.96 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.316 -0.253 . . . . 1.73 110.316 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 33.8 mtm-85 -67.66 126.48 29.51 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.835 0.35 . . . . 3.94 110.8 -177.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.77 -29.76 11.82 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.992 -0.623 . . . . 1.61 111.903 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.2 mm -73.43 137.47 23.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 122.63 0.372 . . . . 1.65 111.228 -176.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -70.91 96.38 1.27 Allowed 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.115 -0.493 . . . . 3.32 110.596 175.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.575 ' HA ' ' O ' ' A' ' 76' ' ' TRP . 11.1 t -63.87 -16.29 61.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.211 0.529 . . . . 4.63 110.635 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -66.05 -28.79 69.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 3.06 111.391 176.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 61.6 t-80 -119.83 -27.76 5.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.727 0.299 . . . . 3.51 110.969 -176.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.575 ' O ' ' HA ' ' A' ' 73' ' ' SER . 97.3 m95 -124.73 133.7 53.09 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.083 0.468 . . . . 3.17 111.327 -175.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.448 ' HB2' ' HG2' ' A' ' 115' ' ' LYS . 25.9 t-20 -103.44 134.48 46.74 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.643 -1.243 . . . . 2.69 107.643 167.323 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.703 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 1.3 m -128.11 147.95 50.56 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.72 0.295 . . . . 1.93 111.207 -171.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.474 ' O ' HG22 ' A' ' 111' ' ' VAL . 75.1 t80 -143.45 135.33 26.62 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.912 -0.586 . . . . 3.73 109.685 176.275 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.799 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 64.4 m -81.72 111.84 18.34 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.997 -0.547 . . . . 1.67 110.494 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.0 m -116.98 128.41 55.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.856 -0.611 . . . . 2.24 110.418 -176.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.1 m -87.42 119.61 27.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.952 0.406 . . . . 2.78 110.895 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.3 m -77.47 143.54 38.43 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.59 -0.522 . . . . 2.69 109.59 174.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -118.87 137.43 53.44 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.777 -0.453 . . . . 3.71 109.777 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.67 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 13.3 t -118.79 172.13 7.74 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.827 -0.435 . . . . 1.48 109.827 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.535 ' CE2' ' HB3' ' A' ' 103' ' ' ARG . 97.5 m-85 -119.42 124.94 47.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.791 0.329 . . . . 1.75 111.009 -174.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.3 m -120.35 145.36 26.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.998 -0.546 . . . . 1.08 110.658 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -83.43 113.66 20.91 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.523 0.678 . . . . 3.82 110.697 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.7 157.0 42.58 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.6 -0.727 . . . . 1.13 110.517 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.8 tp -83.13 106.91 15.32 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.436 -0.579 . . . . 1.45 109.436 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.6 p -118.16 147.67 43.11 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.737 -0.665 . . . . 1.14 110.535 -176.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 96' ' ' GLN . 9.0 t -105.0 118.56 36.84 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.68 0.752 . . . . 1.32 111.01 -178.483 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -86.66 88.53 7.68 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.455 -0.943 . . . . 2.47 108.455 174.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 69.23 -70.01 0.15 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.08 -0.963 . . . . 3.09 110.913 -173.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -137.08 2.29 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.668 0.247 . . . . 3.29 111.668 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' A' ' 92' ' ' THR . 57.9 tp60 -102.64 108.56 19.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.621 0.248 . . . . 2.74 110.959 -177.232 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.24 108.63 15.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.46 -0.337 . . . . 1.44 110.391 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -135.7 151.26 50.0 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.23 -0.441 . . . . 1.38 110.871 -177.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 81.9 m95 -77.44 118.45 19.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.986 -0.552 . . . . 2.35 110.199 178.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.409 HH21 ' CG ' ' A' ' 30' ' ' ASP . 17.1 mtp180 -129.27 162.84 26.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.203 -0.453 . . . . 3.48 110.365 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -97.79 111.81 23.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.061 -0.518 . . . . 1.98 109.857 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 23.2 pt -113.57 149.04 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.156 -0.475 . . . . 0.86 110.617 -176.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.67 ' HA ' ' O ' ' A' ' 85' ' ' THR . 19.5 ptp180 -89.13 137.69 32.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.312 0.577 . . . . 3.71 111.381 -174.169 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 30.2 pt -131.5 151.59 35.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.328 -0.851 . . . . 0.83 110.236 176.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.455 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 1.6 m-20 -64.82 121.3 14.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.771 -0.65 . . . . 1.69 109.509 177.301 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.514 ' O ' ' HB ' ' A' ' 56' ' ' THR . 2.3 m -97.65 -53.0 3.57 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.338 -0.392 . . . . 2.29 111.689 -172.481 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -166.78 157.86 12.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.386 -0.37 . . . . 1.14 110.186 -178.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.799 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 51.7 t -105.5 117.8 34.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.861 0.363 . . . . 1.56 110.036 177.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 26.3 m -105.02 150.25 7.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.111 -0.495 . . . . 1.07 110.533 -177.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.703 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 43.3 t -97.56 101.73 13.33 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.298 -0.63 . . . . 1.45 109.298 177.077 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.598 ' O ' ' HA ' ' A' ' 78' ' ' SER . 25.8 m -76.39 134.75 28.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.33 -0.395 . . . . 1.52 110.097 -178.415 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 97.3 mt -107.92 138.27 44.47 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.993 0.425 . . . . 1.67 110.476 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.2 p -134.4 146.96 50.36 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.684 -0.689 . . . . 2.62 109.172 174.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -77.12 7.16 5.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.954 0.407 . . . . 6.73 110.676 -175.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.448 ' HG2' ' HB2' ' A' ' 77' ' ' ASN . 42.9 mtmt 73.91 -52.57 0.69 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.909 0.884 . . . . 4.59 110.986 178.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -72.55 -30.45 64.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.378 0.609 . . . . 4.5 109.732 174.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 26.8 p -128.78 153.0 47.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.4 -0.818 . . . . 5.74 110.488 177.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.852 0 CA-C-O 118.456 -0.783 . . . . 8.67 109.339 178.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 5.8 p . . . . . 0 N--CA 1.475 0.818 0 CA-C-O 120.951 0.405 . . . . 13.98 110.868 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.2 p -65.6 -47.64 75.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.299 -0.409 . . . . 12.76 110.81 -178.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 14.2 p -87.15 103.95 15.9 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.172 -0.467 . . . . 11.36 110.192 176.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -135.32 87.72 27.12 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 121.175 0.512 . . . . 10.29 111.271 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' PRO . . . . . 0.411 ' HG2' ' H ' ' B' ' 8' ' ' HIS . 88.1 Cg_endo -84.18 43.41 1.36 Allowed 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.643 2.229 . . . . 7.63 111.974 178.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 t 59.47 35.67 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 115.708 -0.678 . . . . 6.65 109.951 -178.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 51.4 t80 56.32 50.14 13.84 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.598 -0.728 . . . . 7.27 109.631 -174.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' HIS . . . . . 0.411 ' H ' ' HG2' ' B' ' 5' ' ' PRO . 43.1 t60 57.01 49.76 13.29 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.238 -0.892 . . . . 7.72 109.719 -175.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 55.5 tpp 73.71 -35.82 0.32 Allowed 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.03 -0.986 . . . . 5.34 110.965 -176.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.91 -178.75 17.08 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.92 -0.657 . . . . 3.98 112.179 175.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.14 29.25 6.92 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.373 0.606 . . . . 4.62 109.732 176.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -68.45 128.37 36.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.498 -0.774 . . . . 3.65 110.261 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 28.9 t -151.98 161.71 42.22 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.757 -0.46 . . . . 2.42 109.757 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 m -75.82 -17.06 15.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.897 -0.592 . . . . 1.41 110.683 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 97.1 m -123.22 124.48 43.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.814 -0.63 . . . . 1.75 109.9 176.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.06 115.27 2.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 2.87 110.511 -178.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 21.1 m -124.58 130.72 52.98 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.959 -0.564 . . . . 1.72 110.406 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' B' ' 56' ' ' THR . 7.1 p -112.78 115.52 50.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.101 0.477 . . . . 1.51 110.55 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.421 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 50.3 m -89.66 117.37 28.48 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.206 -0.452 . . . . 1.66 110.151 177.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 56.8 t -118.88 138.28 50.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.205 -0.452 . . . . 1.03 110.086 -179.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 83.7 m95 -102.6 95.71 6.41 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.386 -0.598 . . . . 1.61 109.386 175.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 21.9 t -93.76 108.69 20.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.441 -0.799 . . . . 0.96 110.468 -175.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.53 11.52 58.07 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.489 -0.862 . . . . 1.27 112.107 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -133.16 29.54 4.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.705 0.288 . . . . 3.01 110.865 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.634 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 85.7 tttt -75.78 108.46 8.66 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.089 -0.708 . . . . 1.32 109.089 177.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 11.3 t -95.15 -7.87 37.99 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.021 0.378 . . . . 1.82 112.021 -173.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.3 p -141.37 134.42 29.16 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.696 0.284 . . . . 1.0 110.931 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.77 160.91 41.66 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.286 -0.416 . . . . 0.79 110.577 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 16.9 m -95.94 117.07 29.9 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.122 0.487 . . . . 1.01 110.842 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ASP . . . . . 0.428 ' CG ' HH21 ' B' ' 100' ' ' ARG . 21.6 t70 -65.97 164.76 14.51 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.025 -0.989 . . . . 1.84 110.711 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.464 ' HA ' ' CE2' ' B' ' 86' ' ' PHE . 16.2 tt -60.71 -28.98 44.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.842 0.353 . . . . 1.33 111.158 -179.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -78.28 -11.21 59.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.936 0.398 . . . . 2.22 111.064 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.89 13.79 38.94 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.798 -0.715 . . . . 1.25 112.604 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -93.7 141.5 28.42 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.357 -0.238 . . . . 2.14 110.357 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -85.42 115.53 23.21 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.87 -0.789 . . . . 2.19 108.87 173.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 29.8 m -116.03 153.78 17.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-O 121.047 0.451 . . . . 1.01 111.085 -176.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 22.8 m -88.61 108.42 19.43 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.425 -0.807 . . . . 1.04 110.48 -177.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.634 ' HB ' ' O ' ' B' ' 25' ' ' LYS . 15.4 t -79.34 136.91 22.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.156 -0.683 . . . . 1.1 109.156 178.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 97.1 mt -82.29 2.55 31.51 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.623 -0.262 . . . . 1.91 111.282 -176.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.574 ' H ' HG12 ' B' ' 38' ' ' VAL . . . 69.81 -46.17 0.59 Allowed 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.89 0.876 . . . . 2.18 111.65 -178.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -127.02 149.87 49.7 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.355 -0.609 . . . . 3.59 109.355 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 16.9 m -96.95 124.8 49.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.557 -0.535 . . . . 2.39 109.557 177.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -78.44 149.31 33.29 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.51 -0.552 . . . . 3.25 109.51 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.484 ' HB ' ' HB ' ' B' ' 48' ' ' VAL . 14.4 tt -71.66 76.73 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-O 122.143 0.973 . . . . 2.77 112.836 -172.024 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -90.02 -3.5 57.94 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.712 -1.218 . . . . 3.84 107.712 164.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.417 ' HB2' ' HB2' ' A' ' 46' ' ' ASN . 2.8 t-20 -164.14 -46.92 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 113.931 -1.486 . . . . 4.76 108.375 176.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 18.2 p -147.28 159.08 44.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.527 -0.76 . . . . 3.33 109.645 177.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.484 ' HB ' ' HB ' ' B' ' 44' ' ' ILE . 4.3 p -123.74 112.64 33.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.472 0.653 . . . . 2.38 110.878 177.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -145.83 140.95 27.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.47 -0.787 . . . . 4.13 110.085 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' B' ' 50' ' ' ARG . 13.0 ttm180 -79.18 127.81 32.5 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.188 -0.671 . . . . 4.84 109.188 173.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.69 89.99 6.8 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.333 -0.394 . . . . 4.56 110.429 -175.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -75.31 122.12 23.23 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.248 -0.649 . . . . 2.45 109.248 173.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -96.6 118.89 34.04 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.128 -0.487 . . . . 1.16 110.154 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -83.95 93.75 8.11 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.515 0.674 . . . . 3.56 109.608 176.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' GLU . . . . . 0.454 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 16.8 mt-10 -108.58 107.82 18.47 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.709 -0.678 . . . . 1.49 110.157 -176.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.522 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 43.9 m -96.04 104.79 16.75 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.602 -0.726 . . . . 1.07 109.462 176.455 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -102.88 151.91 21.9 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.695 -0.684 . . . . 2.48 110.223 -174.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 4.6 t -90.06 125.66 35.5 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.112 0.482 . . . . 1.73 110.473 -176.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -97.23 15.98 21.19 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.812 -0.631 . . . . 3.49 110.3 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -146.93 172.46 13.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.828 -0.623 . . . . 2.58 110.268 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 42.8 m -140.78 -48.32 0.42 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.515 -0.55 . . . . 2.76 109.515 176.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -137.36 89.8 15.75 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 108.73 -0.841 . . . . 2.59 108.73 173.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -50.11 -31.16 27.38 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.543 2.829 . . . . 2.57 113.613 -177.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 35.8 m -124.54 -177.99 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.985 -0.286 . . . . 2.53 110.529 174.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -46.72 -45.39 19.54 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.887 0.699 . . . . 4.2 112.887 -175.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' SER . . . . . 0.454 ' HB3' ' OG ' ' B' ' 73' ' ' SER . 22.2 t -146.09 54.8 1.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.321 0.581 . . . . 3.9 110.376 -178.388 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.86 -156.03 26.84 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.329 -0.939 . . . . 2.6 112.595 177.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 71.4 m -100.44 161.05 13.86 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.281 -0.266 . . . . 1.74 110.281 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 33.9 mtm-85 -67.95 126.33 29.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.83 0.348 . . . . 3.95 110.841 -177.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.81 -29.64 12.07 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.937 -0.649 . . . . 1.6 112.05 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 49.3 mm -73.47 137.78 22.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 122.454 0.302 . . . . 1.65 111.206 -177.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -71.2 96.45 1.39 Allowed 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.085 -0.507 . . . . 3.32 110.661 175.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' SER . . . . . 0.586 ' HA ' ' O ' ' B' ' 76' ' ' TRP . 11.0 t -63.9 -16.27 61.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.295 0.569 . . . . 4.63 110.588 178.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -65.84 -29.22 69.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.079 -0.51 . . . . 3.06 111.487 176.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -119.6 -27.51 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.785 0.326 . . . . 3.51 111.067 -176.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' TRP . . . . . 0.586 ' O ' ' HA ' ' B' ' 73' ' ' SER . 97.5 m95 -124.79 133.77 53.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.116 0.484 . . . . 3.17 111.333 -176.084 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' ASN . . . . . 0.442 ' HB2' ' HG2' ' B' ' 115' ' ' LYS . 26.1 t-20 -103.37 134.45 46.73 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.735 -1.209 . . . . 2.7 107.735 167.31 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.693 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 1.3 m -128.12 148.13 50.57 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.769 0.319 . . . . 1.93 111.328 -171.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 79' ' ' TYR . . . . . 0.464 ' O ' HG22 ' B' ' 111' ' ' VAL . 74.9 t80 -143.53 135.36 26.51 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.793 -0.639 . . . . 3.73 109.717 176.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.792 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 64.7 m -81.91 111.48 18.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.094 -0.503 . . . . 1.67 110.496 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 24.8 m -116.84 128.12 54.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.825 -0.625 . . . . 2.25 110.3 -176.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 23.0 m -86.6 120.17 27.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.865 0.364 . . . . 2.78 111.12 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 13.6 m -77.91 143.44 37.71 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.569 -0.53 . . . . 2.69 109.569 174.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -118.85 137.34 53.49 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.83 -0.433 . . . . 3.71 109.83 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.657 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 13.4 t -118.53 172.28 7.59 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.753 -0.462 . . . . 1.48 109.753 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.535 ' CE2' ' HB3' ' B' ' 103' ' ' ARG . 97.4 m-85 -119.51 124.91 47.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.827 0.346 . . . . 1.75 110.977 -174.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 m -120.26 145.54 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.926 -0.579 . . . . 1.08 110.756 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -83.59 113.61 20.95 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 121.593 0.711 . . . . 3.82 110.736 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.74 157.04 42.51 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.589 -0.732 . . . . 1.13 110.553 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 31.7 tp -83.06 106.92 15.26 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.416 -0.587 . . . . 1.45 109.416 177.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 52.8 p -118.26 147.51 43.36 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.738 -0.665 . . . . 1.15 110.447 -176.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' B' ' 96' ' ' GLN . 9.3 t -104.74 118.71 37.23 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.505 0.669 . . . . 1.32 110.979 -178.47 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -86.88 88.91 7.8 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.453 -0.943 . . . . 2.46 108.453 173.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 68.95 -69.68 0.15 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.084 -0.962 . . . . 3.09 111.052 -173.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -137.59 2.5 2.45 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.7 0.259 . . . . 3.3 111.7 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 96' ' ' GLN . . . . . 0.455 ' O ' ' HA ' ' B' ' 92' ' ' THR . 57.8 tp60 -103.04 108.38 19.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.565 0.222 . . . . 2.74 110.873 -177.204 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.22 108.83 15.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.34 -0.391 . . . . 1.44 110.202 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -135.76 151.19 49.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.203 -0.453 . . . . 1.39 110.88 -177.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 80.9 m95 -77.27 118.92 20.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.93 -0.577 . . . . 2.35 110.186 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 100' ' ' ARG . . . . . 0.428 HH21 ' CG ' ' B' ' 30' ' ' ASP . 17.1 mtp180 -129.72 162.4 28.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.227 -0.442 . . . . 3.48 110.503 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -97.31 111.96 23.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.099 -0.501 . . . . 1.98 109.931 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 23.5 pt -113.71 149.13 16.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.236 -0.438 . . . . 0.86 110.513 -176.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.657 ' HA ' ' O ' ' B' ' 85' ' ' THR . 19.4 ptp180 -89.11 137.73 32.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.277 0.56 . . . . 3.72 111.457 -174.274 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 30.4 pt -131.62 151.47 35.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.349 -0.841 . . . . 0.83 110.299 175.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' ASP . . . . . 0.454 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 1.6 m-20 -64.61 121.03 13.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.805 -0.634 . . . . 1.69 109.577 177.251 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 106' ' ' THR . . . . . 0.522 ' O ' ' HB ' ' B' ' 56' ' ' THR . 2.4 m -97.53 -53.05 3.56 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.403 -0.362 . . . . 2.29 111.658 -172.396 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -166.51 157.99 13.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 1.15 110.269 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' CYS . . . . . 0.792 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 51.5 t -105.56 117.74 34.78 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.951 0.405 . . . . 1.56 110.018 177.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 26.3 m -104.93 150.31 7.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.074 -0.512 . . . . 1.08 110.625 -177.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.693 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 43.5 t -97.66 101.7 13.28 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.243 -0.651 . . . . 1.45 109.243 177.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.595 ' O ' ' HA ' ' B' ' 78' ' ' SER . 25.2 m -76.28 135.19 27.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.31 -0.404 . . . . 1.52 110.091 -178.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 96.9 mt -108.3 138.21 44.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.875 0.369 . . . . 1.67 110.399 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 24.4 p -134.33 146.82 50.32 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.213 -0.662 . . . . 2.62 109.213 174.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -76.9 7.15 5.1 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.909 0.385 . . . . 6.72 110.755 -175.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 115' ' ' LYS . . . . . 0.442 ' HG2' ' HB2' ' B' ' 77' ' ' ASN . 42.7 mtmt 73.71 -52.15 0.7 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.966 0.906 . . . . 4.59 110.977 178.526 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -72.81 -30.53 64.13 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.404 0.621 . . . . 4.5 109.766 174.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 25.2 p -128.71 153.18 47.59 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.493 -0.776 . . . . 5.74 110.511 177.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.264 -0.874 . . . . 8.68 109.499 178.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.5 m . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.84 0.352 . . . . 13.98 110.536 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 p -124.41 -70.21 0.77 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.861 0.362 . . . . 12.75 110.819 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.0 p -78.03 110.46 12.99 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.184 -0.462 . . . . 11.35 111.371 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 -147.27 117.87 4.51 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.164 -0.471 . . . . 10.28 110.424 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -85.14 59.36 5.32 Favored 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 122.634 2.223 . . . . 7.63 111.986 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.8 t 56.14 59.25 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 109.1 -0.704 . . . . 6.65 109.1 -174.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 58.65 -99.2 0.09 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 114.961 -1.018 . . . . 7.27 110.039 -171.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -146.28 8.52 1.06 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.325 -0.991 . . . . 7.72 108.325 172.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 23.4 ptp 40.2 43.36 1.37 Allowed 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 114.088 -1.415 . . . . 5.34 111.567 -171.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -142.06 -12.26 0.46 Allowed Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.189 -0.914 . . . . 3.98 111.73 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.435 ' H ' ' CD ' ' A' ' 11' ' ' GLU . 0.8 OUTLIER -99.71 10.82 40.68 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.229 0.538 . . . . 4.63 110.368 177.305 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -84.83 71.16 10.9 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.224 -0.658 . . . . 3.65 109.224 175.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.3 p -75.01 133.69 41.61 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.109 -0.951 . . . . 2.42 110.419 -178.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.436 ' O ' ' HB2' ' A' ' 68' ' ' CYS . 28.3 m -59.82 -24.19 28.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.037 -0.529 . . . . 1.41 110.879 177.511 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.569 ' SG ' ' HB2' ' A' ' 110' ' ' CYS . 62.7 m -129.06 118.98 23.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.435 -0.802 . . . . 1.75 109.178 175.287 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -54.99 118.22 4.11 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 123.438 0.461 . . . . 2.87 110.76 -178.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.421 ' HB3' HG22 ' A' ' 56' ' ' THR . 30.6 m -126.72 149.6 49.5 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.082 -0.508 . . . . 1.72 110.516 -177.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.538 ' O ' ' HA ' ' A' ' 56' ' ' THR . 7.1 p -122.3 132.0 72.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.411 -0.359 . . . . 1.51 111.06 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.8 m -91.48 124.03 35.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.788 0.328 . . . . 1.66 110.265 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.0 t -125.54 138.25 55.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.354 -0.384 . . . . 1.03 110.913 -175.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 93.9 m95 -103.11 96.51 6.84 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.037 -0.727 . . . . 1.61 109.037 172.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.6 t -84.71 109.03 17.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.861 -0.608 . . . . 0.96 110.566 -176.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.35 19.14 55.1 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.681 -0.771 . . . . 1.27 111.971 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -174.1 84.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.652 -0.499 . . . . 3.02 109.652 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -89.89 -17.15 28.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.517 -0.311 . . . . 1.32 111.441 -175.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.7 p 63.42 -54.24 0.2 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.053 1.341 . . . . 1.82 113.669 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.3 p -134.4 143.31 47.53 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.81 0.338 . . . . 1.01 111.099 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.453 ' HB1' ' HB ' ' A' ' 102' ' ' ILE . . . -151.17 156.29 40.65 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.208 -0.451 . . . . 0.79 110.717 177.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 56.4 m -99.92 120.52 39.92 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.082 -0.508 . . . . 1.02 111.237 -176.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.434 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 21.5 t70 -71.71 164.02 26.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.212 -0.904 . . . . 1.85 110.264 178.09 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.4 tt -57.64 -22.84 18.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 122.944 0.498 . . . . 1.33 111.834 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.407 ' HG3' ' OD1' ' A' ' 30' ' ' ASP . 35.8 mttp -82.46 -2.75 54.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.956 0.408 . . . . 2.22 110.912 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.56 17.79 57.93 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.963 -0.637 . . . . 1.25 111.746 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -93.77 131.26 39.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.699 0.285 . . . . 2.14 110.935 -178.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -86.61 114.71 23.55 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.846 -0.798 . . . . 2.19 108.846 176.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.4 m -122.9 156.98 28.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.118 0.485 . . . . 1.02 111.711 -174.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.5 m -83.45 117.96 23.42 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.307 -0.861 . . . . 1.04 110.41 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.401 ' HA ' HG22 ' A' ' 91' ' ' THR . 89.4 t -87.37 130.74 36.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.941 -0.572 . . . . 1.1 110.64 -177.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.4 mt -88.38 113.6 24.15 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.523 -0.547 . . . . 1.91 109.523 177.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.15 -31.19 72.25 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.462 0.649 . . . . 2.18 109.684 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.514 ' HA ' ' HA ' ' A' ' 50' ' ' ARG . 39.0 mt-10 -115.74 115.29 26.07 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 114.922 -1.035 . . . . 3.59 108.756 174.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.508 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 25.6 m -93.06 139.1 18.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.244 0.545 . . . . 2.4 111.253 -173.214 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -101.08 99.64 10.11 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.368 -0.833 . . . . 3.25 109.721 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 52.5 mt -106.8 86.69 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.973 0.416 . . . . 2.77 110.256 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 55.9 t30 61.27 63.71 1.18 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.572 -0.74 . . . . 3.84 110.449 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.7 m120 64.03 20.61 12.27 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.283 -0.871 . . . . 4.76 111.6 176.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.9 t -129.4 118.4 22.12 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.358 -0.608 . . . . 3.33 109.358 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.508 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 39.5 t -101.37 130.59 50.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.051 0.453 . . . . 2.37 111.527 -174.575 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.427 ' O ' HG22 ' A' ' 42' ' ' VAL . 79.6 m-85 -137.07 133.55 35.55 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.75 -0.659 . . . . 4.13 109.287 174.341 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.514 ' HA ' ' HA ' ' A' ' 41' ' ' GLU . 27.8 ptt180 -82.51 145.06 29.99 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.32 -0.552 . . . . 4.84 109.878 179.318 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.448 ' OE1' ' HE3' ' B' ' 88' ' ' LYS . 86.8 mm-40 -120.12 154.46 34.68 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.001 -0.545 . . . . 4.56 111.536 -172.095 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -122.82 151.35 41.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.579 -0.737 . . . . 2.46 109.378 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -122.71 123.23 40.63 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.995 -0.372 . . . . 1.16 109.995 176.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -85.1 103.16 13.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.982 0.42 . . . . 3.56 110.388 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -100.91 162.78 12.66 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.411 0.624 . . . . 1.49 110.123 175.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.572 ' HB ' ' C ' ' A' ' 106' ' ' THR . 50.7 m -140.89 100.44 3.83 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 107.687 -1.227 . . . . 1.07 107.687 169.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -101.71 147.36 26.55 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.1 -0.954 . . . . 2.48 109.74 -165.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.86 116.05 21.34 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.317 0.579 . . . . 1.73 110.54 -173.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -75.93 -34.52 59.89 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.411 -0.813 . . . . 3.48 110.296 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -135.62 113.61 11.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.798 -0.637 . . . . 2.58 110.853 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.9 t -69.88 -24.65 63.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.079 -0.51 . . . . 2.76 110.032 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -147.79 87.92 5.74 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.64 -0.709 . . . . 2.59 109.58 174.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.434 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 52.9 Cg_exo -53.46 -38.41 83.09 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.069 2.513 . . . . 2.57 112.876 -177.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.8 m -118.09 154.92 20.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.734 -0.469 . . . . 2.53 109.734 178.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 66' ' ' SER . 36.4 tt0 -81.2 70.92 8.15 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.992 0.425 . . . . 4.19 111.072 -173.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.433 ' HB2' ' O ' ' A' ' 65' ' ' GLU . 4.9 t 175.75 -39.29 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.362 -0.835 . . . . 3.9 109.043 178.19 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -169.72 -118.4 0.45 Allowed Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.447 -0.797 . . . . 2.6 111.161 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 14' ' ' VAL . 24.7 p -126.48 -178.6 4.41 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.408 -0.59 . . . . 1.73 109.408 174.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -72.19 132.37 44.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.74 0.305 . . . . 3.94 111.055 -175.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.38 -42.76 2.19 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.891 -0.671 . . . . 1.61 113.693 173.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.3 mm -59.9 132.97 25.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 112.209 0.448 . . . . 1.65 112.209 -175.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.412 ' OD1' ' HB3' ' A' ' 74' ' ' LYS . 21.5 t70 -71.44 99.76 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.864 -0.607 . . . . 3.32 109.416 172.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.701 ' HA ' ' O ' ' A' ' 76' ' ' TRP . 5.2 t -77.76 -4.29 45.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.911 -0.586 . . . . 4.63 111.037 -174.58 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.412 ' HB3' ' OD1' ' A' ' 72' ' ' ASP . 38.8 ttmt -66.3 -40.74 90.2 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.421 0.629 . . . . 3.06 109.534 174.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -96.82 -38.36 9.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.657 -0.702 . . . . 3.51 110.951 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.701 ' O ' ' HA ' ' A' ' 73' ' ' SER . 87.9 m95 -118.52 134.19 55.28 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.189 0.519 . . . . 3.17 112.032 -171.1 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -95.38 134.74 37.84 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.803 -1.184 . . . . 2.69 107.803 169.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.69 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 3.7 m -125.64 147.8 49.2 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.362 -0.535 . . . . 1.93 112.179 -170.121 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -151.21 147.82 27.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.338 -0.846 . . . . 3.73 108.95 170.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.641 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 35.4 m -94.45 130.71 40.71 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.155 -0.475 . . . . 1.67 111.082 -174.238 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.0 m -126.97 135.3 50.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.902 -0.59 . . . . 2.24 109.716 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 108' ' ' CYS . 21.1 p -79.54 134.21 36.48 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 121.21 0.529 . . . . 2.78 111.809 -177.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.6 m -92.14 124.53 36.29 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.547 -0.751 . . . . 2.69 109.136 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.429 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 2.3 p-80 -119.67 136.26 54.48 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.08 0.467 . . . . 3.71 111.47 -176.56 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.574 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 14.6 t -111.85 164.27 13.27 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.43 -0.804 . . . . 1.48 109.402 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -103.27 116.78 33.11 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.917 0.389 . . . . 1.75 109.973 -177.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.468 HG12 HG12 ' B' ' 87' ' ' VAL . 26.9 m -109.83 152.74 11.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.999 -0.546 . . . . 1.08 111.046 -176.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.439 ' HE3' ' OE1' ' B' ' 51' ' ' GLN . 42.8 mttp -86.26 109.56 19.02 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.452 -0.794 . . . . 3.82 110.197 -177.184 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.5 139.1 52.5 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.114 -0.494 . . . . 1.13 110.945 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 35.6 tp -75.35 114.74 14.23 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.233 -0.654 . . . . 1.45 109.233 176.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.401 HG22 ' HA ' ' A' ' 38' ' ' VAL . 77.5 p -122.37 166.7 14.29 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.048 -0.523 . . . . 1.14 110.56 -175.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.1 t -123.27 110.54 15.34 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.444 0.64 . . . . 1.32 110.049 176.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -77.41 -45.77 24.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.775 -0.648 . . . . 2.47 110.234 -178.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -125.32 -76.05 0.59 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.252 -0.431 . . . . 3.09 110.784 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -123.07 -48.6 1.99 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.865 0.364 . . . . 3.29 111.107 -177.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -78.34 177.03 8.77 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.118 -0.492 . . . . 2.74 110.869 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -122.07 132.41 54.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.095 -0.502 . . . . 1.44 110.848 -177.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -141.78 146.74 36.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.917 -0.583 . . . . 1.38 110.37 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 17.2 m-90 -74.73 119.34 18.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.147 -0.479 . . . . 2.35 111.276 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -110.17 169.5 8.69 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.628 -0.715 . . . . 3.48 109.789 176.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.434 ' O ' ' HA ' ' A' ' 30' ' ' ASP . 27.3 m-85 -111.32 101.95 10.38 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.316 -0.994 . . . . 1.98 108.316 179.241 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.453 ' HB ' ' HB1' ' A' ' 28' ' ' ALA . 37.8 pt -111.5 142.91 22.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.079 0.466 . . . . 0.86 111.062 -168.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.574 ' HA ' ' O ' ' A' ' 85' ' ' THR . 35.9 ptt180 -83.82 125.45 31.96 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.79 -0.641 . . . . 3.71 111.395 -174.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.429 ' O ' ' HA ' ' A' ' 84' ' ' HIS . 42.8 pt -121.88 134.25 65.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.723 -0.672 . . . . 0.83 109.668 173.131 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.424 ' HB3' ' HB ' ' A' ' 82' ' ' THR . 17.6 m-20 -80.09 113.44 18.26 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.371 -0.603 . . . . 1.69 109.371 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.572 ' C ' ' HB ' ' A' ' 56' ' ' THR . 7.4 t -123.08 22.72 9.46 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.096 0.474 . . . . 2.29 111.048 -171.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -174.76 156.24 2.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.006 -0.543 . . . . 1.14 109.982 176.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.641 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 48.5 t -130.71 113.47 14.19 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.227 -0.657 . . . . 1.56 109.227 172.387 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.0 m -106.46 145.91 13.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.959 -0.564 . . . . 1.07 110.866 -174.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.69 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 42.7 t -92.74 116.28 28.88 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.328 -0.619 . . . . 1.45 109.328 177.089 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.2 m -98.14 152.41 4.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 110.0 -0.371 . . . . 1.52 110.0 -179.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 62.7 mt -112.35 139.79 47.61 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.238 0.542 . . . . 1.67 111.716 -174.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 38.0 t -121.44 140.23 52.43 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.869 -0.789 . . . . 2.62 108.869 172.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -79.05 9.28 4.53 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.944 0.402 . . . . 6.73 110.898 -176.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 28.2 mtmm 67.32 42.18 2.3 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.695 -0.684 . . . . 4.59 109.786 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -135.42 153.07 51.91 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.766 -0.652 . . . . 4.5 110.517 -177.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.3 p -130.49 164.63 24.39 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.072 -0.513 . . . . 5.74 110.359 177.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.636 ' HD3' ' OXT' ' A' ' 118' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.258 -0.877 . . . . 8.67 111.303 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 N--CA 1.473 0.713 0 CA-C-O 120.924 0.392 . . . . 13.98 110.423 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 13.0 p -124.04 -70.29 0.77 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.342 -0.39 . . . . 12.76 110.851 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 7.3 p -78.18 110.64 13.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.202 -0.454 . . . . 11.36 111.282 -177.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 53.8 p-80 -147.46 117.35 4.39 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.072 -0.513 . . . . 10.29 110.395 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -84.98 59.12 5.39 Favored 'Trans proline' 0 C--O 1.236 0.419 0 C-N-CA 122.662 2.242 . . . . 7.63 112.045 179.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 18.7 t 56.35 59.48 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.17 0 N-CA-C 109.004 -0.739 . . . . 6.65 109.004 -174.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 58.32 -99.47 0.1 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-N 114.974 -1.012 . . . . 7.27 110.055 -171.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -145.87 8.24 1.11 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.281 -1.007 . . . . 7.72 108.281 172.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 23.4 ptp 40.15 43.62 1.38 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 114.164 -1.38 . . . . 5.34 111.428 -171.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -142.29 -11.77 0.46 Allowed Glycine 0 N--CA 1.453 -0.232 0 CA-C-N 115.216 -0.902 . . . . 3.98 111.74 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.431 ' H ' ' CD ' ' B' ' 11' ' ' GLU . 0.8 OUTLIER -99.95 11.06 40.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.211 0.529 . . . . 4.62 110.42 176.893 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -85.03 70.96 10.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.805 -0.634 . . . . 3.65 109.306 175.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 12.3 p -74.83 133.71 41.85 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.068 -0.969 . . . . 2.42 110.445 -178.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.43 ' O ' ' HG2' ' B' ' 63' ' ' PRO . 28.0 m -59.76 -24.32 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 115.837 -0.62 . . . . 1.41 110.936 177.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.573 ' SG ' ' HB2' ' B' ' 110' ' ' CYS . 62.6 m -128.87 119.0 23.65 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.323 -0.853 . . . . 1.75 109.236 175.227 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -55.05 117.85 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.833 0.349 . . . . 2.87 110.734 -178.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.414 ' HB3' HG22 ' B' ' 56' ' ' THR . 31.7 m -126.45 149.72 49.13 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.206 -0.452 . . . . 1.72 110.518 -177.638 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.524 ' O ' ' HA ' ' B' ' 56' ' ' THR . 7.1 p -122.27 131.65 72.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.815 0.341 . . . . 1.51 111.057 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 28.6 m -91.1 124.01 35.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.843 0.354 . . . . 1.66 110.223 178.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 42.7 t -125.57 138.62 53.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.277 -0.419 . . . . 1.03 110.851 -175.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -103.56 96.29 6.63 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.032 -0.729 . . . . 1.61 109.032 172.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 47.1 t -84.5 108.96 17.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.776 -0.647 . . . . 0.96 110.642 -176.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.24 19.07 55.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.688 -0.768 . . . . 1.27 112.062 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -174.13 84.8 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.557 -0.534 . . . . 3.01 109.557 -179.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -89.78 -17.24 28.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.441 -0.345 . . . . 1.32 111.307 -176.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 68.2 p 63.54 -54.36 0.21 Allowed 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.968 1.307 . . . . 1.82 113.631 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.3 p -134.0 143.92 48.42 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.004 0.431 . . . . 1.0 111.158 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.447 ' HB1' ' HB ' ' B' ' 102' ' ' ILE . . . -151.81 156.59 40.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.073 -0.512 . . . . 0.79 110.719 177.426 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 46.0 m -100.17 120.53 40.02 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.026 -0.534 . . . . 1.01 111.205 -176.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ASP . . . . . 0.428 ' HA ' ' O ' ' B' ' 101' ' ' PHE . 20.8 t70 -71.64 164.2 26.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.169 -0.923 . . . . 1.84 110.228 178.132 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 14.3 tt -57.7 -23.4 20.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 C-N-CA 122.96 0.504 . . . . 1.33 111.768 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.415 ' HG3' ' OD1' ' B' ' 30' ' ' ASP . 36.1 mttp -81.52 -3.85 54.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.941 0.4 . . . . 2.22 110.958 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.47 17.45 57.02 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 121.091 -0.575 . . . . 1.25 111.841 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -93.49 131.79 38.38 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.627 0.251 . . . . 2.14 110.851 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -87.34 114.62 24.12 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.788 -0.819 . . . . 2.19 108.788 176.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 27.5 m -122.7 157.18 27.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.106 0.479 . . . . 1.01 111.682 -174.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 20.1 m -83.97 117.85 23.64 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.344 -0.843 . . . . 1.04 110.22 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.42 ' HA ' HG22 ' B' ' 91' ' ' THR . 94.2 t -87.19 130.62 36.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.912 -0.585 . . . . 1.1 110.513 -177.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 84.2 mt -88.34 113.61 24.12 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.532 -0.544 . . . . 1.91 109.532 177.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.17 -31.16 72.2 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.441 0.639 . . . . 2.18 109.718 178.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.505 ' HA ' ' HA ' ' B' ' 50' ' ' ARG . 36.7 mt-10 -115.67 115.22 26.01 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.946 -1.025 . . . . 3.59 108.934 174.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 26.0 m -92.94 139.07 18.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.179 0.514 . . . . 2.39 111.201 -173.053 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -100.98 99.65 10.15 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.413 -0.812 . . . . 3.25 109.753 178.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 52.3 mt -106.91 87.64 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.35 -0.386 . . . . 2.77 110.05 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 57.5 t30 60.32 63.91 1.31 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.517 -0.765 . . . . 3.84 110.443 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 13.5 m120 64.0 20.6 12.27 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.214 -0.903 . . . . 4.76 111.565 175.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 23.7 t -129.22 118.29 22.12 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.337 -0.616 . . . . 3.33 109.337 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 39.1 t -100.95 131.04 49.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.273 -0.422 . . . . 2.38 111.497 -174.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' PHE . . . . . 0.422 ' O ' HG22 ' B' ' 42' ' ' VAL . 79.8 m-85 -137.36 134.04 35.54 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.326 -0.62 . . . . 4.13 109.326 174.062 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.505 ' HA ' ' HA ' ' B' ' 41' ' ' GLU . 27.6 ptt180 -82.7 145.07 29.8 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.276 -0.57 . . . . 4.84 109.86 179.337 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.439 ' OE1' ' HE3' ' A' ' 88' ' ' LYS . 86.5 mm-40 -120.2 154.95 34.11 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.934 -0.576 . . . . 4.56 111.453 -172.347 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -123.14 151.36 42.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.551 -0.749 . . . . 2.45 109.314 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -122.87 123.21 40.46 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 110.077 -0.342 . . . . 1.16 110.077 176.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -85.06 103.05 13.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.966 0.413 . . . . 3.56 110.379 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -100.73 162.65 12.77 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.436 0.636 . . . . 1.49 110.093 175.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.572 ' HB ' ' C ' ' B' ' 106' ' ' THR . 50.8 m -140.93 100.23 3.78 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 107.707 -1.22 . . . . 1.07 107.707 169.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -101.38 147.28 26.52 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.935 -1.029 . . . . 2.48 109.822 -165.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.78 115.94 21.24 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.111 0.481 . . . . 1.73 110.577 -173.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -75.92 -34.79 59.93 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.498 -0.774 . . . . 3.49 110.176 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -135.33 113.45 11.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.869 -0.605 . . . . 2.58 110.899 -178.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 22.8 t -69.98 -24.37 63.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 2.76 110.066 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -147.96 88.26 5.59 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.426 -0.806 . . . . 2.59 109.367 174.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' PRO . . . . . 0.43 ' HG2' ' O ' ' B' ' 14' ' ' VAL . 51.1 Cg_exo -53.57 -38.57 83.89 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.043 2.495 . . . . 2.57 113.05 -178.125 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 31.3 m -118.09 154.51 20.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.837 -0.431 . . . . 2.53 109.837 178.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' B' ' 66' ' ' SER . 35.9 tt0 -80.85 71.07 7.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.908 0.385 . . . . 4.2 111.172 -173.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' SER . . . . . 0.436 ' HB2' ' O ' ' B' ' 65' ' ' GLU . 4.8 t 175.64 -39.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.453 -0.794 . . . . 3.9 109.094 178.407 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -170.18 -118.53 0.46 Allowed Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.994 -0.842 . . . . 2.6 110.994 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' B' ' 14' ' ' VAL . 24.7 p -126.27 -178.4 4.31 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.401 -0.592 . . . . 1.74 109.401 174.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -72.36 132.17 43.61 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 121.08 -0.248 . . . . 3.95 111.094 -175.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.98 -43.09 2.07 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 121.019 -0.61 . . . . 1.6 113.427 172.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 47.3 mm -59.89 132.71 25.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.029 0.442 . . . . 1.65 112.187 -175.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -71.14 99.39 1.86 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.688 -0.687 . . . . 3.32 109.475 172.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' SER . . . . . 0.697 ' HA ' ' O ' ' B' ' 76' ' ' TRP . 5.3 t -77.36 -4.39 44.92 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.049 -0.523 . . . . 4.63 110.954 -174.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -66.28 -41.03 90.43 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.383 -0.599 . . . . 3.06 109.383 174.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -96.62 -38.41 9.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.749 -0.659 . . . . 3.51 110.926 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' TRP . . . . . 0.697 ' O ' ' HA ' ' B' ' 73' ' ' SER . 87.5 m95 -118.26 134.23 55.21 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.126 0.489 . . . . 3.17 112.023 -171.223 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -95.2 134.78 37.56 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 107.827 -1.175 . . . . 2.7 107.827 169.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.695 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 3.7 m -125.81 147.48 49.41 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.32 -0.552 . . . . 1.93 112.121 -170.083 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -150.96 147.94 27.78 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.304 -0.862 . . . . 3.73 108.838 170.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.649 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 35.2 m -94.49 130.62 40.8 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.019 -0.537 . . . . 1.67 111.041 -174.27 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 59.3 m -126.81 134.97 50.44 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.757 -0.656 . . . . 2.25 109.792 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.468 ' HA ' ' HA ' ' B' ' 108' ' ' CYS . 21.4 p -79.31 134.05 36.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.156 0.503 . . . . 2.78 111.823 -177.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 5.8 m -92.06 124.33 36.08 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.547 -0.751 . . . . 2.69 109.187 176.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' HIS . . . . . 0.441 ' HA ' ' O ' ' B' ' 104' ' ' ILE . 2.2 p-80 -119.67 136.03 54.57 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.915 0.388 . . . . 3.71 111.217 -176.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.574 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 14.7 t -111.76 164.28 13.22 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.508 -0.769 . . . . 1.48 109.297 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -103.31 116.61 32.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.098 0.475 . . . . 1.75 110.171 -177.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' VAL . . . . . 0.468 HG12 HG12 ' A' ' 87' ' ' VAL . 27.1 m -109.87 152.77 11.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.835 -0.62 . . . . 1.08 110.855 -176.071 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 88' ' ' LYS . . . . . 0.448 ' HE3' ' OE1' ' A' ' 51' ' ' GLN . 42.8 mttp -86.47 109.42 19.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.398 -0.819 . . . . 3.82 110.173 -177.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.36 139.01 52.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.072 -0.513 . . . . 1.13 111.029 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 35.1 tp -75.31 114.65 14.08 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.285 -0.635 . . . . 1.45 109.285 176.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' THR . . . . . 0.42 HG22 ' HA ' ' B' ' 38' ' ' VAL . 79.3 p -122.23 166.98 13.76 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.901 -0.591 . . . . 1.15 110.612 -175.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 6.8 t -123.68 110.99 15.66 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.46 0.648 . . . . 1.32 109.954 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -78.0 -45.15 24.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.666 -0.697 . . . . 2.46 110.325 -178.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -125.74 -75.79 0.59 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.26 -0.427 . . . . 3.09 110.946 177.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -123.23 -49.32 1.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.953 0.406 . . . . 3.3 111.138 -178.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -77.66 176.67 8.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.169 -0.468 . . . . 2.74 110.94 -178.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -121.78 133.1 54.91 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.288 -0.414 . . . . 1.44 110.899 -177.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.24 146.63 35.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.888 -0.596 . . . . 1.39 110.259 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 17.2 m-90 -74.64 119.63 19.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.109 0.48 . . . . 2.35 111.267 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -110.34 169.54 8.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.57 -0.741 . . . . 3.48 109.894 176.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.428 ' O ' ' HA ' ' B' ' 30' ' ' ASP . 27.7 m-85 -111.34 101.89 10.32 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.354 -0.98 . . . . 1.98 108.354 179.262 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 102' ' ' ILE . . . . . 0.447 ' HB ' ' HB1' ' B' ' 28' ' ' ALA . 36.7 pt -111.55 142.93 22.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.07 0.462 . . . . 0.86 111.103 -168.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.574 ' HA ' ' O ' ' B' ' 85' ' ' THR . 35.8 ptt180 -83.66 125.52 31.93 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.802 -0.635 . . . . 3.72 111.353 -174.605 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 104' ' ' ILE . . . . . 0.441 ' O ' ' HA ' ' B' ' 84' ' ' HIS . 42.9 pt -121.91 134.22 65.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.813 -0.63 . . . . 0.83 109.857 172.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 105' ' ' ASP . . . . . 0.412 ' HB3' ' HB ' ' B' ' 82' ' ' THR . 16.1 m-20 -80.16 113.47 18.35 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.298 -0.631 . . . . 1.69 109.298 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 106' ' ' THR . . . . . 0.572 ' C ' ' HB ' ' B' ' 56' ' ' THR . 7.0 t -123.06 22.85 9.44 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.292 -0.413 . . . . 2.29 111.014 -171.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 107' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -175.16 156.16 2.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.016 -0.538 . . . . 1.15 109.96 176.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 108' ' ' CYS . . . . . 0.649 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 48.5 t -130.67 113.4 14.13 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.191 -0.67 . . . . 1.56 109.191 172.469 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 29.7 m -106.43 145.75 13.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.068 -0.514 . . . . 1.08 110.924 -174.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.695 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 42.8 t -92.55 116.44 29.0 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.212 -0.662 . . . . 1.45 109.212 177.053 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 18.1 m -98.22 152.38 4.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.993 -0.373 . . . . 1.52 109.993 -179.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 62.7 mt -112.3 139.73 47.61 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.278 0.561 . . . . 1.67 111.711 -174.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 38.6 t -121.38 140.53 52.0 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.793 -0.817 . . . . 2.62 108.793 172.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -79.12 8.97 4.91 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.092 0.472 . . . . 6.72 110.84 -176.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 28.1 mtmm 67.56 41.97 2.2 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.867 -0.606 . . . . 4.59 109.726 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -135.6 152.65 51.46 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.589 -0.732 . . . . 4.5 110.515 -177.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 4.7 p -130.06 164.81 23.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.929 -0.578 . . . . 5.74 110.223 178.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 118' ' ' ARG . . . . . 0.633 ' HD3' ' OXT' ' B' ' 118' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.371 -0.823 . . . . 8.68 111.188 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.5 p . . . . . 0 N--CA 1.477 0.888 0 CA-C-O 121.237 0.541 . . . . 13.98 110.84 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 m -147.25 -54.39 0.23 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.944 -0.571 . . . . 12.75 109.766 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.2 p -85.29 84.68 7.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.729 -0.669 . . . . 11.35 110.212 176.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -129.54 71.03 82.14 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.846 -0.616 . . . . 10.28 110.25 -175.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -85.33 71.7 4.72 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.834 2.356 . . . . 7.63 112.077 -178.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.5 t 63.08 74.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.419 -0.81 . . . . 6.65 110.264 -176.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -107.29 -15.63 14.6 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.872 -0.604 . . . . 7.27 110.212 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -81.57 61.91 5.2 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.948 -0.76 . . . . 7.72 108.948 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 34.1 ttm 177.52 -32.31 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.555 -1.202 . . . . 5.34 108.31 -174.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.49 177.17 15.47 Favored Glycine 0 N--CA 1.442 -0.948 0 CA-C-N 114.728 -1.124 . . . . 3.98 110.581 -176.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -84.41 31.04 0.52 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 117.189 0.494 . . . . 4.63 110.863 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.414 ' HB2' HG12 ' B' ' 111' ' ' VAL . 88.1 m-85 64.17 169.49 0.17 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.305 -0.861 . . . . 3.65 112.359 178.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.8 t -172.45 152.22 2.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.426 -0.806 . . . . 2.42 109.439 175.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -79.57 -6.09 9.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.291 0.567 . . . . 1.41 110.749 178.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.7 t -129.59 152.41 49.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.283 -0.872 . . . . 1.75 109.088 178.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.502 ' HB3' ' O ' ' A' ' 59' ' ' ARG . 6.3 t0 -73.48 115.21 12.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.326 0.584 . . . . 2.87 109.763 -176.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.4 m -112.53 134.71 53.91 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.75 -0.659 . . . . 1.72 110.693 -175.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.567 ' O ' ' HA ' ' A' ' 56' ' ' THR . 4.5 p -109.86 115.35 49.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.951 0.405 . . . . 1.51 110.669 178.226 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.9 m -97.07 119.29 35.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.086 -0.507 . . . . 1.66 110.533 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.1 t -119.82 138.07 51.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.145 -0.479 . . . . 1.03 110.365 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -97.36 95.61 7.8 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.874 -0.787 . . . . 1.61 108.874 173.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 49.0 t -87.38 112.86 23.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.86 -0.609 . . . . 0.96 110.297 -175.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.89 -12.38 64.02 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.359 -0.924 . . . . 1.27 112.486 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -141.18 72.53 1.39 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.766 0.317 . . . . 3.02 111.12 -178.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.509 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 58.6 tttp -74.66 127.51 33.3 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.998 -0.741 . . . . 1.32 108.998 174.22 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 t -83.49 -42.28 17.07 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.295 0.48 . . . . 1.82 112.295 -171.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.0 p -141.16 147.8 39.01 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.644 0.259 . . . . 1.01 111.007 -177.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.414 ' HB1' ' HB ' ' A' ' 102' ' ' ILE . . . -153.61 162.73 40.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.014 -0.539 . . . . 0.79 110.54 176.374 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.42 ' HB ' ' HE ' ' A' ' 103' ' ' ARG . 6.9 m -100.08 119.87 38.97 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.871 -0.604 . . . . 1.02 110.514 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.427 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 10.5 t70 -69.34 157.93 36.05 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.938 -0.764 . . . . 1.85 108.938 174.015 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.7 tt -58.9 -16.89 10.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 123.167 0.587 . . . . 1.33 111.908 -177.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -84.04 2.03 41.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.929 0.395 . . . . 2.22 110.867 177.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.55 24.38 50.59 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.127 -0.558 . . . . 1.25 112.232 177.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -107.89 128.43 54.61 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.686 0.279 . . . . 2.14 110.934 -178.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -88.87 115.56 26.5 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.531 -0.544 . . . . 2.19 109.531 177.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.5 m -130.3 161.24 40.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.128 0.489 . . . . 1.02 111.666 -175.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 29.2 m -82.75 121.58 27.07 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.334 -0.848 . . . . 1.04 110.367 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.509 ' HB ' ' O ' ' A' ' 25' ' ' LYS . 60.5 t -87.68 135.83 24.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.059 -0.518 . . . . 1.1 111.088 -174.427 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 74.3 mt -105.06 127.34 52.84 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.214 -0.661 . . . . 1.91 109.214 175.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.22 -23.68 63.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.235 0.541 . . . . 2.18 110.476 179.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.452 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 5.6 mm-40 -105.17 115.9 31.05 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.907 -1.042 . . . . 3.59 109.594 -177.276 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 49' ' ' PHE . 28.3 m -92.59 99.88 10.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 122.038 0.923 . . . . 2.4 110.534 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.41 ' H ' HD22 ' A' ' 90' ' ' LEU . 32.3 m-80 -78.12 99.66 6.26 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.886 -1.052 . . . . 3.25 109.646 178.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.484 HG22 ' OD1' ' A' ' 45' ' ' ASN . 65.3 mt -77.43 -71.85 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.738 -0.467 . . . . 2.77 109.738 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.484 ' OD1' HG22 ' A' ' 44' ' ' ILE . 11.6 m120 -135.6 -65.15 0.61 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.833 -0.803 . . . . 3.84 108.833 172.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -124.54 -17.01 6.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.243 -0.889 . . . . 4.76 110.052 177.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.4 m -97.22 127.77 43.5 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.947 -0.57 . . . . 3.33 110.17 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.452 ' CG1' ' HB3' ' A' ' 41' ' ' GLU . 43.7 t -116.38 123.14 71.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.953 -0.567 . . . . 2.37 110.151 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.468 ' O ' HG22 ' A' ' 42' ' ' VAL . 96.6 m-85 -120.7 160.95 22.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.583 -0.28 . . . . 4.13 110.602 -178.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.444 ' HB3' ' OE1' ' A' ' 41' ' ' GLU . 5.8 ptp180 -141.11 165.78 26.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.394 -0.366 . . . . 4.84 110.291 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -150.19 163.17 38.93 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.014 -0.735 . . . . 4.56 109.014 175.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -105.11 124.95 50.41 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.012 -0.736 . . . . 2.46 109.012 176.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -78.23 125.05 28.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.334 -0.393 . . . . 1.16 110.508 -176.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -84.94 94.26 8.74 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.842 -0.617 . . . . 3.56 109.798 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.77 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 26.7 mt-10 -104.29 104.62 14.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.15 -0.477 . . . . 1.49 110.737 -178.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.567 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 48.4 m -100.67 113.98 27.3 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.83 -0.433 . . . . 1.07 109.83 174.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -117.24 163.85 15.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.021 -0.536 . . . . 2.48 111.09 -172.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 84.4 m -85.44 112.23 20.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.708 -0.678 . . . . 1.73 111.262 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.502 ' O ' ' HB3' ' A' ' 16' ' ' ASP . 22.9 ptt180 -113.77 129.44 56.58 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.086 -0.709 . . . . 3.48 109.086 173.387 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 60.36 78.68 0.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.188 0.518 . . . . 2.58 109.962 -174.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.7 t -66.36 -11.63 52.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.594 -0.73 . . . . 2.76 111.401 -176.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -127.67 76.17 77.29 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 116.566 -0.288 . . . . 2.59 110.228 177.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -57.46 -31.69 92.05 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 122.292 1.995 . . . . 2.57 111.195 176.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.3 m -116.4 158.61 16.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.273 -0.876 . . . . 2.53 108.826 172.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -79.63 60.32 3.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.197 0.522 . . . . 4.19 110.614 -175.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.7 m -163.79 -45.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.312 -0.858 . . . . 3.9 109.356 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 166.74 -123.71 1.16 Allowed Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.691 -0.964 . . . . 2.6 110.691 -179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 82.9 m -81.05 162.15 23.89 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.902 -0.407 . . . . 1.73 109.902 174.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 -78.2 135.63 37.65 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.703 0.287 . . . . 3.94 110.318 -177.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 103.17 -35.63 4.88 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 121.02 -0.609 . . . . 1.61 112.105 178.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.463 HG22 ' H ' ' A' ' 73' ' ' SER . 33.6 mm -63.17 122.82 14.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 110.306 -0.257 . . . . 1.65 110.306 -179.002 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -61.87 -23.99 66.64 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.153 -0.476 . . . . 3.32 111.352 -178.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.533 ' HA ' ' O ' ' A' ' 76' ' ' TRP . 19.7 m 65.7 11.3 7.44 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.702 -0.681 . . . . 4.63 112.297 172.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -106.05 -36.02 7.07 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.422 -0.585 . . . . 3.06 109.422 175.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -91.74 -24.45 19.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.683 -0.689 . . . . 3.51 110.035 176.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.544 ' CE3' ' HB3' ' A' ' 112' ' ' LEU . 97.7 m95 -134.89 140.22 45.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.714 -0.676 . . . . 3.17 111.884 -172.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.46 ' HB2' ' HG2' ' A' ' 115' ' ' LYS . 8.4 t30 -97.38 135.43 39.29 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.971 -1.122 . . . . 2.69 107.971 168.421 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.0 t -131.34 135.86 47.61 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.181 0.515 . . . . 1.93 112.369 -167.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.454 ' CZ ' HG21 ' A' ' 111' ' ' VAL . 42.5 p90 -156.83 166.93 31.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.321 -0.854 . . . . 3.73 108.806 170.171 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.527 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 12.9 m -105.32 140.86 37.81 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.851 0.358 . . . . 1.67 111.62 -170.012 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.499 ' O ' HG22 ' A' ' 109' ' ' VAL . 50.6 m -132.18 136.04 46.77 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.998 -0.546 . . . . 2.24 109.697 178.235 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.8 m -87.81 127.7 35.33 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.746 0.308 . . . . 2.78 111.028 -177.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.3 t -91.27 167.19 12.49 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.135 -0.32 . . . . 2.69 110.135 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -138.97 143.97 38.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.901 0.382 . . . . 3.71 111.552 -170.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.646 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 7.9 t -116.2 171.07 8.05 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.17 -0.678 . . . . 1.48 109.17 174.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.469 ' HA ' ' O ' ' A' ' 102' ' ' ILE . 97.4 m-85 -117.46 115.86 26.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.081 0.467 . . . . 1.75 110.573 -178.427 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.586 HG12 HG12 ' B' ' 87' ' ' VAL . 26.6 m -112.91 149.07 15.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.749 -0.66 . . . . 1.08 111.065 -176.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -75.19 110.9 9.91 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.319 -0.401 . . . . 3.82 110.031 176.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.78 139.91 51.97 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.293 -0.412 . . . . 1.13 110.646 178.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.41 HD22 ' H ' ' A' ' 43' ' ' ASN . 26.0 tp -78.1 125.04 28.77 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.345 -0.983 . . . . 1.45 108.345 173.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 97' ' ' ALA . 66.5 p -124.0 153.83 40.72 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.972 -0.291 . . . . 1.14 110.749 -175.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.8 t -114.12 109.89 19.14 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.695 0.76 . . . . 1.32 109.804 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -74.27 -51.51 15.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.346 -0.843 . . . . 2.47 110.711 -175.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -136.89 -72.85 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.265 -0.425 . . . . 3.09 110.516 176.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -127.91 7.41 6.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.728 0.299 . . . . 3.29 111.273 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -130.02 154.18 47.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.875 0.369 . . . . 2.74 110.687 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.427 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -108.2 128.83 55.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.747 -0.661 . . . . 1.44 110.505 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -135.9 148.11 48.44 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.333 -0.394 . . . . 1.38 110.639 -178.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -75.72 124.97 28.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.103 -0.499 . . . . 2.35 110.85 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 100' ' ' ARG . 54.9 mmt-85 -126.92 164.37 21.59 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.943 -0.571 . . . . 3.48 110.729 178.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.427 ' O ' ' HA ' ' A' ' 30' ' ' ASP . 30.6 m-85 -110.37 106.09 15.32 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.691 -1.225 . . . . 1.98 107.691 176.43 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.469 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 39.0 pt -111.49 144.55 19.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.311 0.577 . . . . 0.86 111.619 -168.115 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.646 ' HA ' ' O ' ' A' ' 85' ' ' THR . 28.6 ptt180 -79.48 123.42 27.54 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 114.923 -1.035 . . . . 3.71 110.507 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 44.9 pt -121.97 143.03 35.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 109.692 -0.484 . . . . 0.83 109.692 173.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.77 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 37.9 m-20 -62.56 126.66 28.09 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.286 -0.635 . . . . 1.69 109.286 178.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.551 ' O ' ' HB ' ' A' ' 56' ' ' THR . 3.5 m -116.26 -36.43 4.05 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 112.781 0.659 . . . . 2.29 112.781 -172.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.401 ' HA ' ' HB ' ' A' ' 56' ' ' THR . . . -156.47 158.63 37.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.771 0.319 . . . . 1.14 110.974 -176.369 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.527 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 51.7 t -105.64 117.47 34.11 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.091 -0.504 . . . . 1.56 109.652 177.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 81' ' ' THR . 12.0 m -104.91 158.89 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.313 -0.403 . . . . 1.07 110.088 -178.338 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 42.7 t -110.16 125.22 52.8 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.806 -0.442 . . . . 1.45 109.806 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.484 HG12 ' HB2' ' B' ' 12' ' ' PHE . 2.9 m -92.39 154.21 3.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.351 -0.386 . . . . 1.52 110.304 -178.247 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.544 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . 96.8 mt -125.76 138.41 53.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.192 0.52 . . . . 1.67 110.383 175.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.48 ' O ' ' HA ' ' A' ' 76' ' ' TRP . 2.2 p -137.1 170.19 16.51 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.653 -0.703 . . . . 2.62 109.644 176.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -88.5 10.52 19.99 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.423 0.527 . . . . 6.73 112.423 -173.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.46 ' HG2' ' HB2' ' A' ' 77' ' ' ASN . 56.3 mtpt 68.17 32.63 4.75 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 109.631 -0.507 . . . . 4.59 109.631 -178.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 179.67 -52.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.77 -1.105 . . . . 4.5 108.935 -178.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.1 p -115.58 174.02 6.23 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.281 -0.872 . . . . 5.74 110.07 175.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.733 -0.651 . . . . 8.67 110.169 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.5 p . . . . . 0 N--CA 1.476 0.867 0 CA-C-O 121.221 0.534 . . . . 13.98 110.977 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.7 m -147.62 -54.09 0.21 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.916 -0.584 . . . . 12.76 109.981 178.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 2.9 p -85.69 84.74 7.5 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.615 -0.721 . . . . 11.36 110.041 176.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -129.82 70.85 82.18 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.806 -0.634 . . . . 10.29 110.216 -175.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -85.16 72.73 4.45 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.816 2.344 . . . . 7.63 111.801 -178.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 33.5 t 62.25 74.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.358 -0.837 . . . . 6.65 110.313 -176.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -107.42 -15.1 14.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.913 -0.585 . . . . 7.27 110.188 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -82.02 61.46 5.32 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.06 -0.718 . . . . 7.72 109.06 177.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 34.2 ttm 177.85 -32.18 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.426 -1.261 . . . . 5.34 108.245 -174.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.4 177.54 15.59 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 114.832 -1.076 . . . . 3.98 110.526 -176.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -84.86 31.28 0.54 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 117.23 0.515 . . . . 4.62 110.736 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' PHE . . . . . 0.484 ' HB2' HG12 ' A' ' 111' ' ' VAL . 87.2 m-85 64.17 169.66 0.17 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.345 -0.843 . . . . 3.65 112.278 178.396 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 33.4 t -172.71 151.99 2.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.45 -0.795 . . . . 2.42 109.413 176.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -79.54 -5.99 8.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.236 0.541 . . . . 1.41 110.727 178.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 49.8 t -129.55 152.33 49.19 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.295 -0.866 . . . . 1.75 109.144 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ASP . . . . . 0.496 ' HB3' ' O ' ' B' ' 59' ' ' ARG . 6.3 t0 -73.47 115.32 12.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.363 0.602 . . . . 2.87 109.765 -176.682 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 18.1 m -112.6 134.64 54.02 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.778 -0.646 . . . . 1.72 110.602 -175.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.559 ' O ' ' HA ' ' B' ' 56' ' ' THR . 4.6 p -109.99 115.45 49.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.916 0.388 . . . . 1.51 110.699 178.066 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.1 m -97.14 118.84 34.47 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.985 -0.552 . . . . 1.66 110.712 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 46.6 t -119.55 138.24 50.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.222 -0.445 . . . . 1.03 110.271 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -97.52 95.83 7.9 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.721 -0.844 . . . . 1.61 108.721 173.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 48.5 t -87.41 112.83 23.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.823 -0.626 . . . . 0.96 110.382 -175.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.84 -12.22 64.39 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.235 -0.983 . . . . 1.27 112.457 -178.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -141.73 72.64 1.39 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.811 0.338 . . . . 3.01 111.13 -178.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.506 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 58.5 tttp -74.66 127.72 33.8 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.054 -0.721 . . . . 1.32 109.054 173.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 8.9 t -83.76 -42.36 16.61 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.164 0.431 . . . . 1.82 112.164 -171.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.0 p -141.07 147.66 38.94 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.693 0.282 . . . . 1.0 111.077 -177.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.411 ' HB1' ' HB ' ' B' ' 102' ' ' ILE . . . -153.34 162.92 40.78 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.952 -0.567 . . . . 0.79 110.603 176.275 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 6.7 m -100.31 119.88 39.08 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.898 -0.592 . . . . 1.01 110.514 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ASP . . . . . 0.431 ' HA ' ' O ' ' B' ' 101' ' ' PHE . 10.3 t70 -69.43 157.94 36.11 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.094 -0.706 . . . . 1.84 109.094 174.031 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.5 tt -58.92 -16.56 9.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 123.056 0.543 . . . . 1.33 111.866 -177.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -84.43 2.24 41.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.894 0.378 . . . . 2.22 110.923 177.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.55 24.1 51.53 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 121.025 -0.607 . . . . 1.25 112.293 177.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -107.68 128.34 54.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.74 0.305 . . . . 2.14 111.053 -178.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -88.71 115.43 26.24 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.585 -0.524 . . . . 2.19 109.585 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 8.0 m -130.19 161.29 40.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.179 0.514 . . . . 1.01 111.644 -175.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 28.1 m -83.0 121.52 27.11 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.268 -0.878 . . . . 1.04 110.42 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.506 ' HB ' ' O ' ' B' ' 25' ' ' LYS . 61.0 t -87.75 135.57 25.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.066 -0.516 . . . . 1.1 111.225 -174.323 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 73.6 mt -104.88 127.13 52.59 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.258 -0.645 . . . . 1.91 109.258 175.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.11 -23.71 64.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.222 0.534 . . . . 2.18 110.398 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.457 ' HB3' ' CG1' ' B' ' 48' ' ' VAL . 5.5 mm-40 -105.18 115.92 31.08 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.029 -0.987 . . . . 3.59 109.658 -177.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.464 HG22 ' O ' ' B' ' 49' ' ' PHE . 28.3 m -92.58 99.92 10.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 122.001 0.905 . . . . 2.39 110.587 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.406 ' H ' HD22 ' B' ' 90' ' ' LEU . 31.9 m-80 -78.18 99.39 6.19 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.925 -1.034 . . . . 3.25 109.681 178.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.482 HG22 ' OD1' ' B' ' 45' ' ' ASN . 64.6 mt -76.98 -72.47 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.818 -0.438 . . . . 2.77 109.818 178.505 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ASN . . . . . 0.482 ' OD1' HG22 ' B' ' 44' ' ' ILE . 11.8 m120 -135.0 -65.32 0.63 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.889 -0.782 . . . . 3.84 108.889 172.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -124.21 -17.16 6.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.174 -0.921 . . . . 4.76 109.927 177.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 16.5 m -97.0 127.5 43.03 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.932 -0.576 . . . . 3.33 110.185 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.457 ' CG1' ' HB3' ' B' ' 41' ' ' GLU . 43.6 t -116.49 122.86 70.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.057 -0.52 . . . . 2.38 110.192 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' PHE . . . . . 0.464 ' O ' HG22 ' B' ' 42' ' ' VAL . 96.7 m-85 -120.26 160.92 22.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.486 -0.325 . . . . 4.13 110.71 -178.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.446 ' HB3' ' OE1' ' B' ' 41' ' ' GLU . 5.8 ptp180 -141.13 165.65 26.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.287 -0.415 . . . . 4.84 110.354 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -149.9 163.22 38.64 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.017 -0.735 . . . . 4.56 109.017 174.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -105.15 125.24 50.77 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.114 -0.699 . . . . 2.45 109.114 175.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -78.41 124.95 28.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.326 -0.397 . . . . 1.16 110.552 -176.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -84.88 94.54 8.77 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.84 -0.618 . . . . 3.56 109.83 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' GLU . . . . . 0.765 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 26.5 mt-10 -104.51 104.5 14.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.199 -0.455 . . . . 1.49 110.851 -178.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.559 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 48.7 m -100.52 114.07 27.39 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.736 -0.468 . . . . 1.07 109.736 174.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -117.39 163.65 16.04 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.907 -0.588 . . . . 2.48 111.094 -172.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 83.6 m -85.2 112.53 20.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.711 -0.677 . . . . 1.73 111.157 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' ARG . . . . . 0.496 ' O ' ' HB3' ' B' ' 16' ' ' ASP . 23.0 ptt180 -114.07 129.77 56.6 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.068 -0.716 . . . . 3.49 109.068 173.196 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . 60.16 78.27 0.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.164 0.507 . . . . 2.58 110.084 -174.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 46.7 t -66.01 -11.48 48.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.695 -0.684 . . . . 2.76 111.567 -176.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -127.9 76.31 77.57 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 110.093 -0.336 . . . . 2.59 110.093 177.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -57.34 -32.08 92.82 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 122.225 1.95 . . . . 2.57 111.113 176.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 17.4 m -116.22 158.83 16.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.215 -0.902 . . . . 2.53 108.827 172.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -79.8 59.86 3.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.454 0.645 . . . . 4.2 110.721 -174.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 19.8 m -163.33 -45.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.231 -0.895 . . . . 3.9 109.36 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 166.8 -123.67 1.16 Allowed Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 110.631 -0.988 . . . . 2.6 110.631 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 79.3 m -80.68 162.37 24.2 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.985 -0.376 . . . . 1.74 109.985 174.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 46.9 mtp180 -78.46 135.33 37.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.567 -0.288 . . . . 3.95 110.239 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 103.41 -36.19 4.51 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.918 -0.658 . . . . 1.6 112.087 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' ILE . . . . . 0.44 HG22 ' H ' ' B' ' 73' ' ' SER . 33.8 mm -62.69 122.48 13.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 122.306 0.243 . . . . 1.65 110.394 -178.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -61.42 -24.12 66.3 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.43 -0.35 . . . . 3.32 111.571 -178.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' SER . . . . . 0.517 ' HA ' ' O ' ' B' ' 76' ' ' TRP . 19.7 m 66.03 11.14 7.55 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.553 -0.749 . . . . 4.63 112.275 172.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -105.93 -36.01 7.12 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.509 -0.552 . . . . 3.06 109.509 175.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -91.76 -24.18 19.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.842 -0.617 . . . . 3.51 109.939 176.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' TRP . . . . . 0.546 ' CE3' ' HB3' ' B' ' 112' ' ' LEU . 97.8 m95 -135.14 139.95 45.04 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.622 -0.717 . . . . 3.17 111.802 -172.296 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' ASN . . . . . 0.459 ' HB2' ' HG2' ' B' ' 115' ' ' LYS . 8.3 t30 -97.41 135.36 39.4 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.966 -1.124 . . . . 2.7 107.966 168.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 25.3 t -131.21 135.86 47.76 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.369 0.507 . . . . 1.93 112.369 -166.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' TYR . . . . . 0.443 ' CZ ' HG21 ' B' ' 111' ' ' VAL . 42.3 p90 -156.93 166.8 32.34 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.437 -0.801 . . . . 3.73 108.841 170.085 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.524 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 13.0 m -105.14 140.64 38.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.789 0.328 . . . . 1.67 111.616 -169.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.506 ' O ' HG22 ' B' ' 109' ' ' VAL . 52.5 m -132.05 135.99 46.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.986 -0.552 . . . . 2.25 109.541 178.335 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 16.6 m -87.78 127.9 35.32 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.848 0.356 . . . . 2.78 110.924 -177.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 7.0 t -91.39 166.96 12.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.412 -0.358 . . . . 2.69 110.183 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -138.7 144.12 39.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.464 -0.334 . . . . 3.71 111.522 -170.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.661 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 7.8 t -116.35 171.05 8.08 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.215 -0.661 . . . . 1.48 109.215 174.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.469 ' HA ' ' O ' ' B' ' 102' ' ' ILE . 97.4 m-85 -117.41 115.78 25.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.11 0.481 . . . . 1.75 110.604 -178.382 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 87' ' ' VAL . . . . . 0.586 HG12 HG12 ' A' ' 87' ' ' VAL . 27.3 m -112.77 148.99 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.643 -0.708 . . . . 1.08 111.027 -176.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -75.25 111.06 10.11 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.263 -0.426 . . . . 3.82 109.999 176.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.92 140.02 51.86 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.397 -0.365 . . . . 1.13 110.634 178.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.406 HD22 ' H ' ' B' ' 43' ' ' ASN . 26.2 tp -78.0 124.85 28.52 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.401 -0.963 . . . . 1.45 108.401 174.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 91' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' B' ' 97' ' ' ALA . 69.7 p -123.81 154.03 40.17 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 120.979 -0.288 . . . . 1.15 110.876 -176.001 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 6.4 t -114.11 109.79 18.99 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.802 0.81 . . . . 1.32 109.726 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -74.03 -52.13 13.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.319 -0.855 . . . . 2.46 110.55 -175.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -136.31 -72.78 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.248 -0.433 . . . . 3.09 110.74 176.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -128.17 7.65 6.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.639 0.257 . . . . 3.3 111.035 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -130.23 153.98 48.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.798 0.332 . . . . 2.74 110.805 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 97' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' B' ' 91' ' ' THR . . . -108.5 128.23 54.62 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.798 -0.637 . . . . 1.44 110.608 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -135.44 148.13 49.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.249 -0.432 . . . . 1.39 110.51 -177.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 69.9 m95 -75.91 124.69 27.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.168 -0.469 . . . . 2.35 110.939 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 55.5 mmt-85 -126.82 164.39 21.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.834 -0.621 . . . . 3.48 110.693 178.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.431 ' O ' ' HA ' ' B' ' 30' ' ' ASP . 31.0 m-85 -110.44 106.08 15.28 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 107.66 -1.237 . . . . 1.98 107.66 176.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 102' ' ' ILE . . . . . 0.469 ' O ' ' HA ' ' B' ' 86' ' ' PHE . 38.6 pt -111.5 144.6 19.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.218 0.532 . . . . 0.86 111.546 -168.025 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.661 ' HA ' ' O ' ' B' ' 85' ' ' THR . 28.8 ptt180 -79.76 123.17 27.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.875 -1.057 . . . . 3.72 110.604 178.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 45.3 pt -121.69 143.03 35.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 116.006 -0.543 . . . . 0.83 109.811 173.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' ASP . . . . . 0.765 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 38.5 m-20 -62.86 126.85 28.73 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.302 -0.629 . . . . 1.69 109.302 178.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 106' ' ' THR . . . . . 0.552 ' O ' ' HB ' ' B' ' 56' ' ' THR . 3.5 m -116.31 -36.43 4.03 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 112.728 0.64 . . . . 2.29 112.728 -172.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -156.63 158.64 37.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.8 0.333 . . . . 1.15 110.872 -176.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' CYS . . . . . 0.524 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 52.4 t -105.67 117.53 34.26 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.95 -0.568 . . . . 1.56 109.582 178.001 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.506 HG22 ' O ' ' B' ' 81' ' ' THR . 11.9 m -104.96 158.79 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.392 -0.367 . . . . 1.08 110.095 -178.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 42.7 t -110.03 125.2 52.67 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.823 -0.436 . . . . 1.45 109.823 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.443 HG21 ' CZ ' ' B' ' 79' ' ' TYR . 2.9 m -92.37 154.51 3.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.328 -0.397 . . . . 1.52 110.233 -178.249 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.546 ' HB3' ' CE3' ' B' ' 76' ' ' TRP . 95.5 mt -125.91 138.46 53.78 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.125 0.488 . . . . 1.67 110.193 175.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.469 ' O ' ' HA ' ' B' ' 76' ' ' TRP . 2.2 p -137.37 169.89 17.01 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.691 -0.686 . . . . 2.62 109.648 176.53 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -88.23 10.72 18.59 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.527 0.566 . . . . 6.72 112.527 -173.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 115' ' ' LYS . . . . . 0.459 ' HG2' ' HB2' ' B' ' 77' ' ' ASN . 56.3 mtpt 68.11 32.33 4.97 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.28 0.562 . . . . 4.59 109.657 -178.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . 179.77 -53.13 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.659 -1.155 . . . . 4.5 108.795 -177.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 23.5 p -115.08 174.22 6.1 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.161 -0.927 . . . . 5.74 110.07 175.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.62 -0.705 . . . . 8.68 109.822 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.4 t . . . . . 0 N--CA 1.478 0.926 0 CA-C-O 120.911 0.386 . . . . 13.98 110.412 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -85.01 78.4 9.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.914 0.388 . . . . 12.75 110.281 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.9 p -118.01 33.77 5.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.852 0.358 . . . . 11.35 111.873 -178.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.544 ' HB2' ' SD ' ' A' ' 9' ' ' MET . 41.9 p-80 -134.59 97.55 14.22 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 121.185 0.517 . . . . 10.28 110.105 176.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -79.26 -3.72 13.27 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.547 2.165 . . . . 7.63 113.158 -175.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.6 t 70.33 -58.46 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 123.035 0.534 . . . . 6.65 112.143 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -77.38 61.29 2.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.078 0.466 . . . . 7.27 111.244 -175.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.444 ' HA ' ' OE2' ' A' ' 11' ' ' GLU . 24.8 t60 178.62 -37.82 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.259 -0.882 . . . . 7.72 108.849 177.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.544 ' SD ' ' HB2' ' A' ' 4' ' ' HIS . 25.1 ptm -82.98 -17.23 44.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.465 -0.789 . . . . 5.34 110.433 178.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.412 ' O ' ' HB ' ' B' ' 111' ' ' VAL . . . -111.83 17.27 25.28 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.831 -0.699 . . . . 3.98 112.019 178.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.444 ' OE2' ' HA ' ' A' ' 8' ' ' HIS . 41.9 mt-10 -89.93 46.69 1.38 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.06 0.457 . . . . 4.63 110.797 -179.075 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -100.32 78.25 2.03 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.286 -0.635 . . . . 3.65 109.286 174.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.1 m -59.72 127.25 31.04 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.78 -1.1 . . . . 2.42 111.319 -176.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.6 m -68.33 -25.68 32.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.025 -0.534 . . . . 1.41 110.57 176.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 74.0 m -127.91 126.44 41.52 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.648 -0.871 . . . . 1.75 108.648 173.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.587 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 10.7 t70 -66.23 115.57 6.35 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.161 0.505 . . . . 2.87 110.033 -175.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.524 ' OG ' ' HB3' ' A' ' 108' ' ' CYS . 23.8 m -113.29 146.56 39.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.803 -0.635 . . . . 1.72 111.485 -172.674 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 56' ' ' THR . 2.8 p -119.54 116.12 49.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.828 -0.624 . . . . 1.51 110.185 174.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.8 m -101.85 121.65 42.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.103 -0.499 . . . . 1.66 110.839 -178.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.4 t -130.55 138.59 53.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.23 -0.441 . . . . 1.03 110.361 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -86.94 95.36 9.88 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.805 -0.813 . . . . 1.61 108.805 171.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 64.9 t -86.87 118.72 33.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.307 -0.86 . . . . 0.96 110.873 -173.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -108.08 11.13 37.35 Favored Glycine 0 N--CA 1.444 -0.833 0 N-CA-C 111.058 -0.817 . . . . 1.27 111.058 175.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -113.26 14.19 19.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.644 0.259 . . . . 3.02 111.036 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.507 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 81.1 tttt -77.76 101.21 6.59 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.357 -0.609 . . . . 1.32 109.357 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.7 t -96.04 -5.05 41.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.195 -0.457 . . . . 1.82 111.768 -172.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 1.0 OUTLIER -142.99 135.59 27.62 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.7 0.286 . . . . 1.01 111.053 178.511 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.33 166.14 27.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.215 -0.448 . . . . 0.79 110.735 178.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.5 m -100.44 118.06 35.9 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.201 -0.454 . . . . 1.02 110.533 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -70.12 163.38 26.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.046 -0.525 . . . . 1.85 109.673 175.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.3 tt -60.05 -26.02 34.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.937 0.399 . . . . 1.33 111.243 -178.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -80.49 -7.44 59.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.454 -0.339 . . . . 2.22 111.145 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.58 12.75 53.09 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.697 -0.763 . . . . 1.25 112.08 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -84.3 132.11 34.65 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.51 -0.181 . . . . 2.14 110.51 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -82.38 114.1 20.6 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.226 -1.028 . . . . 2.19 108.226 170.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 27' ' ' THR . 26.9 m -114.79 152.9 16.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 121.041 0.448 . . . . 1.02 111.151 -175.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.454 ' HB ' ' CG2' ' A' ' 92' ' ' THR . 23.8 m -85.44 106.43 16.79 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.338 -0.846 . . . . 1.04 109.643 178.434 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.507 ' HB ' ' O ' ' A' ' 25' ' ' LYS . 43.0 t -80.75 136.02 24.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.836 -0.62 . . . . 1.1 109.915 -178.2 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 76.5 mt -86.84 113.97 23.1 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.958 -0.565 . . . . 1.91 110.058 -178.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.517 ' O ' ' HA ' ' A' ' 50' ' ' ARG . . . -64.58 -37.1 86.38 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 108.808 -0.812 . . . . 2.18 108.808 174.222 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.427 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 45.2 mm-40 -106.14 114.43 28.55 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.612 -1.176 . . . . 3.59 108.212 172.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.591 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 35.6 m -100.0 135.65 34.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 C-N-CA 120.494 -0.483 . . . . 2.4 110.741 -178.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -95.44 98.76 10.79 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.889 -0.596 . . . . 3.25 109.71 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.7 mt -115.28 96.26 4.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.281 -0.418 . . . . 2.77 110.089 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 58.91 48.37 11.15 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.849 -0.614 . . . . 3.84 110.698 179.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 67.68 16.85 9.84 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.083 -0.962 . . . . 4.76 111.433 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.2 t -113.71 114.84 26.92 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.455 -0.943 . . . . 3.33 108.455 173.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.591 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 21.3 t -109.21 124.03 65.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.274 -0.421 . . . . 2.37 110.816 -174.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.448 ' O ' HG22 ' A' ' 42' ' ' VAL . 35.7 p90 -157.1 167.72 29.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.637 0.256 . . . . 4.13 110.751 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.517 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 90.7 mtm180 -87.97 128.56 35.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.201 0.524 . . . . 4.84 110.782 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.528 HE21 HG21 ' A' ' 42' ' ' VAL . 49.9 mm-40 -77.94 -38.71 44.76 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.342 -0.844 . . . . 4.56 112.522 -176.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 68.88 143.56 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.827 0 O-C-N 123.724 0.64 . . . . 2.46 111.405 -176.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -130.6 142.03 50.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.727 -0.669 . . . . 1.16 110.239 176.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -85.83 94.85 9.25 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.894 0.378 . . . . 3.56 110.431 -176.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -101.0 113.73 27.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.915 -0.584 . . . . 1.49 110.35 -178.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 90.9 m -109.65 111.86 23.59 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.61 -0.515 . . . . 1.07 109.61 175.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -106.35 147.42 29.25 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.121 -0.49 . . . . 2.48 111.222 -173.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 36.1 m -81.9 88.7 6.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.724 -0.671 . . . . 1.73 109.487 176.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -75.8 -18.4 59.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.797 0.332 . . . . 3.48 110.825 -177.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.587 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -142.46 86.1 1.94 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.038 0.447 . . . . 2.58 110.649 175.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.5 m -79.86 131.76 35.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.849 -0.614 . . . . 2.76 109.718 177.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.5 m120 60.45 67.88 1.49 Allowed Pre-proline 0 N--CA 1.468 0.434 0 O-C-N 123.557 0.535 . . . . 2.59 110.206 -175.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.07 -33.2 91.98 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.586 2.191 . . . . 2.57 112.198 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.5 m -98.22 154.6 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.119 -0.492 . . . . 2.53 109.897 177.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -81.56 70.76 8.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.384 0.611 . . . . 4.19 110.063 -178.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.6 p -174.76 -70.59 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.979 -1.01 . . . . 3.9 109.43 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.21 -91.17 0.08 OUTLIER Glycine 0 N--CA 1.443 -0.852 0 CA-C-N 115.733 -0.667 . . . . 2.6 111.647 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 97.0 m -134.54 157.21 47.12 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.825 0.345 . . . . 1.73 110.783 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -62.08 114.2 3.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.458 -0.792 . . . . 3.94 111.078 -177.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 99.78 -22.47 40.25 Favored Glycine 0 N--CA 1.454 -0.139 0 C-N-CA 120.777 -0.725 . . . . 1.61 112.984 175.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 36.6 mm -77.52 138.43 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.791 0.329 . . . . 1.65 111.393 -177.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -71.37 95.93 1.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.04 -0.726 . . . . 3.32 109.04 171.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.2 t -83.47 13.46 4.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.206 -0.452 . . . . 4.63 111.083 -174.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -95.72 -41.89 8.65 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.038 0.447 . . . . 3.06 109.977 177.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -95.79 -17.79 20.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.892 -0.595 . . . . 3.51 110.514 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -123.41 144.41 49.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.964 -0.562 . . . . 3.17 111.149 -177.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.422 ' HB3' ' HB3' ' A' ' 113' ' ' SER . 31.1 t30 -100.45 134.71 43.0 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.824 -1.176 . . . . 2.69 107.824 169.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.628 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 4.9 m -129.38 134.16 47.73 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.802 0.334 . . . . 1.93 111.254 -173.417 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -149.22 147.03 27.92 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.039 -0.528 . . . . 3.73 110.277 175.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 31.9 m -88.13 124.37 33.73 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.312 -0.858 . . . . 1.67 110.369 -174.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 33.1 m -131.93 134.77 46.04 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.585 -0.734 . . . . 2.24 109.425 -178.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.443 ' HB ' ' HB3' ' A' ' 105' ' ' ASP . 15.3 p -78.34 137.65 38.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.919 0.39 . . . . 2.78 111.218 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.1 p -86.57 122.72 30.89 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 109.743 -0.466 . . . . 2.69 109.743 176.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.528 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 18.5 p-80 -104.85 121.93 44.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.131 -0.486 . . . . 3.71 110.411 -177.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.582 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 7.4 t -112.62 160.86 17.45 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.815 -0.809 . . . . 1.48 108.815 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.406 ' CE1' ' HB3' ' A' ' 103' ' ' ARG . 97.7 m-85 -102.89 117.87 35.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.059 0.456 . . . . 1.75 110.621 -175.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.5 m -109.96 153.39 11.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.508 -0.769 . . . . 1.08 110.384 -177.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -91.56 105.33 17.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.466 -0.788 . . . . 3.82 109.461 -176.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.38 144.15 51.1 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.068 0.461 . . . . 1.13 111.708 -174.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 26.8 tp -76.86 104.43 7.35 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.334 -0.617 . . . . 1.45 109.334 175.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.419 HG22 ' HA ' ' A' ' 38' ' ' VAL . 58.0 p -121.09 154.8 35.66 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.909 -0.587 . . . . 1.14 109.452 -178.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.454 ' CG2' ' HB ' ' A' ' 37' ' ' THR . 10.6 t -96.06 121.88 38.29 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 119.785 -0.766 . . . . 1.32 109.757 178.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -65.45 -26.59 68.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.755 -1.111 . . . . 2.47 109.844 -178.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -176.37 -64.31 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.801 -1.185 . . . . 3.09 107.801 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -137.13 30.65 2.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.561 0.696 . . . . 3.29 109.418 172.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -144.12 117.94 9.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.143 -0.935 . . . . 2.74 109.857 -176.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.61 125.57 29.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.32 -0.4 . . . . 1.44 110.897 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.41 150.03 38.49 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.011 -0.541 . . . . 1.38 110.043 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -79.58 100.55 7.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.978 0.418 . . . . 2.35 110.215 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -100.24 169.0 9.43 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.833 -0.621 . . . . 3.48 110.15 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -106.77 101.5 10.94 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.748 -0.834 . . . . 1.98 108.748 178.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 40.0 pt -112.29 142.63 24.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.168 0.508 . . . . 0.86 110.702 -172.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.582 ' HA ' ' O ' ' A' ' 85' ' ' THR . 7.5 ppt_? -82.78 132.02 35.18 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.727 -0.67 . . . . 3.71 110.985 -177.201 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.528 ' O ' ' HA ' ' A' ' 84' ' ' HIS . 47.5 pt -123.0 145.89 29.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.444 -0.798 . . . . 0.83 109.064 172.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.443 ' HB3' ' HB ' ' A' ' 82' ' ' THR . 17.2 m-20 -85.11 97.22 9.75 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.694 -0.854 . . . . 1.69 108.694 178.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.8 t -91.73 -13.76 31.1 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.908 -0.587 . . . . 2.29 112.236 -167.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -158.41 164.14 36.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.575 0.226 . . . . 1.14 110.839 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.524 ' HB3' ' OG ' ' A' ' 17' ' ' SER . 44.5 t -122.49 115.82 22.87 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.315 -0.624 . . . . 1.56 109.315 177.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 19.9 m -117.89 153.3 19.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.948 0.404 . . . . 1.07 111.007 -174.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.628 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 41.9 t -94.66 114.8 26.79 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.942 -0.762 . . . . 1.45 108.942 173.198 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.425 ' HB ' ' O ' ' B' ' 10' ' ' GLY . 34.4 m -96.16 142.47 13.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 C-N-CA 120.569 -0.452 . . . . 1.52 109.92 -179.359 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' B' ' 12' ' ' PHE . 58.9 mt -102.36 139.53 37.85 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.247 0.546 . . . . 1.67 110.661 -177.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.422 ' HB3' ' HB3' ' A' ' 77' ' ' ASN . 8.8 t -125.14 144.56 50.37 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 108.416 -0.957 . . . . 2.62 108.416 173.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -78.0 9.53 3.57 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.529 -0.305 . . . . 6.73 111.256 -175.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt 75.4 -61.56 0.47 Allowed 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.335 0.654 . . . . 4.59 110.622 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -87.59 54.76 3.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.39 0.614 . . . . 4.5 109.984 176.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.437 ' O ' ' HD2' ' A' ' 118' ' ' ARG . 2.7 p -92.81 -4.04 53.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.846 -0.615 . . . . 5.74 111.948 -176.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.437 ' HD2' ' O ' ' A' ' 117' ' ' THR . 13.8 mmm180 . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.493 -0.765 . . . . 8.67 109.4 178.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 33.0 t . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 120.8 0.334 . . . . 13.98 110.599 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.8 m -84.91 77.82 10.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.878 0.371 . . . . 12.76 110.355 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 18.5 p -117.61 33.36 5.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.88 0.371 . . . . 11.36 111.764 -177.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' HIS . . . . . 0.55 ' HB2' ' SD ' ' B' ' 9' ' ' MET . 41.7 p-80 -134.33 97.43 14.71 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 121.323 0.582 . . . . 10.29 110.279 176.236 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -78.96 -3.79 13.46 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.551 2.167 . . . . 7.63 113.148 -175.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 69.1 t 70.27 -58.71 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 123.216 0.606 . . . . 6.65 112.089 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -76.89 60.99 1.86 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.174 0.511 . . . . 7.27 111.337 -175.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' HIS . . . . . 0.424 ' HA ' ' OE2' ' B' ' 11' ' ' GLU . 24.7 t60 178.73 -37.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.241 -0.89 . . . . 7.72 108.807 177.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' MET . . . . . 0.55 ' SD ' ' HB2' ' B' ' 4' ' ' HIS . 25.3 ptm -83.07 -17.08 44.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.37 -0.832 . . . . 5.34 110.442 178.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.425 ' O ' ' HB ' ' A' ' 111' ' ' VAL . . . -111.97 17.45 24.79 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.926 -0.654 . . . . 3.98 112.1 178.616 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.424 ' OE2' ' HA ' ' B' ' 8' ' ' HIS . 42.8 mt-10 -89.98 46.35 1.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.347 0.594 . . . . 4.62 110.984 -179.105 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' PHE . . . . . 0.415 ' HB2' ' O ' ' A' ' 112' ' ' LEU . 44.9 m-85 -100.08 77.94 2.04 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.523 0.677 . . . . 3.65 109.265 174.418 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 15.9 m -59.03 127.33 31.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.75 -1.114 . . . . 2.42 111.329 -176.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 28.9 m -68.55 -25.69 31.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.998 -0.546 . . . . 1.41 110.509 176.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 75.1 m -127.91 126.68 41.97 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.745 -0.835 . . . . 1.75 108.745 173.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ASP . . . . . 0.587 ' HB3' ' HB3' ' B' ' 60' ' ' ALA . 9.1 t70 -66.43 115.46 6.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.084 0.469 . . . . 2.87 109.974 -175.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.522 ' OG ' ' HB3' ' B' ' 108' ' ' CYS . 23.1 m -113.31 146.3 39.64 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.76 -0.655 . . . . 1.72 111.495 -172.575 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' B' ' 56' ' ' THR . 2.8 p -119.5 115.79 48.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.916 -0.584 . . . . 1.51 110.22 174.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.1 m -101.58 122.01 43.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.064 -0.517 . . . . 1.66 110.792 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 62.0 t -130.74 138.63 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.066 -0.515 . . . . 1.03 110.418 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -87.0 95.38 9.91 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.79 -0.819 . . . . 1.61 108.79 171.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 65.9 t -86.87 118.82 33.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.433 -0.803 . . . . 0.96 110.877 -173.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.91 10.78 37.77 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 111.141 -0.784 . . . . 1.27 111.141 175.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -113.33 14.33 19.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 3.01 110.894 -178.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.494 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 81.0 tttt -77.69 101.29 6.55 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.378 -0.601 . . . . 1.32 109.378 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 9.6 t -96.2 -5.37 40.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.296 -0.411 . . . . 1.82 111.828 -172.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' B' ' 36' ' ' VAL . 1.2 p -142.48 135.81 28.78 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.795 0.331 . . . . 1.0 111.077 178.002 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.18 166.23 26.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.278 -0.419 . . . . 0.79 110.772 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 3.6 m -100.52 117.96 35.74 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.152 -0.476 . . . . 1.01 110.417 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -70.07 163.4 26.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.112 -0.495 . . . . 1.84 109.669 175.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.3 tt -59.86 -25.76 33.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.003 0.43 . . . . 1.33 111.417 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -80.53 -7.97 59.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.365 -0.379 . . . . 2.22 111.19 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.9 12.57 52.46 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.849 -0.691 . . . . 1.25 112.205 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -83.94 132.27 34.78 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.579 -0.156 . . . . 2.14 110.579 -179.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -82.73 113.77 20.62 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.296 -1.002 . . . . 2.19 108.296 170.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' B' ' 27' ' ' THR . 27.1 m -114.58 152.87 16.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 116.211 -0.449 . . . . 1.01 111.154 -175.353 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' THR . . . . . 0.457 ' HB ' ' CG2' ' B' ' 92' ' ' THR . 25.9 m -85.34 106.57 16.82 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.271 -0.877 . . . . 1.04 109.552 178.605 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.494 ' HB ' ' O ' ' B' ' 25' ' ' LYS . 42.7 t -80.66 135.96 24.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 115.849 -0.614 . . . . 1.1 109.892 -178.297 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 76.6 mt -86.78 114.04 23.11 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.039 -0.528 . . . . 1.91 110.105 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.525 ' O ' ' HA ' ' B' ' 50' ' ' ARG . . . -64.5 -37.18 86.66 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 108.766 -0.827 . . . . 2.18 108.766 174.286 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.418 ' HB3' ' CG1' ' B' ' 48' ' ' VAL . 42.2 mm-40 -106.2 114.41 28.53 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.639 -1.164 . . . . 3.59 108.334 172.539 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.601 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 35.4 m -99.75 135.72 34.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 120.984 0.421 . . . . 2.39 110.74 -178.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -95.57 98.76 10.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.961 -0.563 . . . . 3.25 109.615 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 66.6 mt -115.19 96.12 4.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.227 -0.442 . . . . 2.77 110.099 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 59.01 48.66 10.52 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.681 -0.69 . . . . 3.84 110.523 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 67.51 16.73 9.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.202 -0.908 . . . . 4.76 111.447 178.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 14.3 t -113.59 115.02 27.27 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.451 -0.944 . . . . 3.33 108.451 173.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.601 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 20.2 t -109.63 123.34 65.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.251 -0.431 . . . . 2.38 110.882 -174.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' PHE . . . . . 0.459 ' O ' HG22 ' B' ' 42' ' ' VAL . 36.0 p90 -156.51 167.75 29.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.496 -0.32 . . . . 4.13 110.787 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.525 ' HA ' ' O ' ' B' ' 40' ' ' ALA . 90.5 mtm180 -88.05 128.5 35.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 4.84 110.871 -179.223 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.528 HE21 HG21 ' B' ' 42' ' ' VAL . 49.9 mm-40 -77.88 -38.52 45.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.543 -0.753 . . . . 4.56 112.638 -176.478 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 68.81 143.5 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.636 0 O-C-N 123.658 0.599 . . . . 2.45 111.317 -176.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -130.63 142.04 50.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.726 -0.67 . . . . 1.16 110.128 176.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -85.81 94.97 9.27 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.963 0.411 . . . . 3.56 110.316 -176.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -101.2 113.22 26.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.897 -0.592 . . . . 1.49 110.339 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 91.5 m -108.98 112.1 24.13 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.69 -0.485 . . . . 1.07 109.69 175.59 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -106.56 147.07 29.88 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.171 -0.468 . . . . 2.48 111.187 -173.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 36.0 m -81.29 89.08 6.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.632 -0.713 . . . . 1.73 109.449 176.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -76.03 -18.79 59.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.644 0.259 . . . . 3.49 110.743 -177.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.587 ' HB3' ' HB3' ' B' ' 16' ' ' ASP . . . -142.46 86.34 1.95 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.286 -0.416 . . . . 2.58 110.517 175.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 16.4 m -79.98 132.24 35.98 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.872 -0.604 . . . . 2.76 109.637 177.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 16.7 m120 60.14 67.87 1.57 Allowed Pre-proline 0 N--CA 1.467 0.392 0 O-C-N 123.445 0.466 . . . . 2.59 110.44 -174.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -61.51 -32.29 88.09 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.608 2.206 . . . . 2.57 112.234 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 24.0 m -98.96 154.6 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.128 -0.487 . . . . 2.53 109.887 177.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -81.41 70.17 8.21 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.371 0.605 . . . . 4.2 110.283 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 13.8 p -174.18 -70.01 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.055 -0.975 . . . . 3.9 109.466 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.87 -91.08 0.08 OUTLIER Glycine 0 N--CA 1.442 -0.965 0 CA-C-N 115.493 -0.776 . . . . 2.6 111.68 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 96.6 m -134.64 157.21 47.2 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.742 0.306 . . . . 1.74 110.8 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -61.98 114.09 3.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.591 -0.731 . . . . 3.95 111.105 -177.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 99.78 -22.32 40.95 Favored Glycine 0 N--CA 1.454 -0.137 0 C-N-CA 120.671 -0.776 . . . . 1.6 113.046 175.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 36.9 mm -77.7 138.1 21.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.721 0.296 . . . . 1.65 111.264 -177.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -71.1 95.81 1.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.053 -0.721 . . . . 3.32 109.053 171.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 12.4 t -83.54 13.89 4.19 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.166 -0.47 . . . . 4.63 110.999 -174.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -96.31 -41.87 8.43 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.87 -0.418 . . . . 3.06 109.87 177.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -95.65 -17.88 20.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.925 -0.579 . . . . 3.51 110.558 177.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -123.65 144.12 49.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.952 -0.567 . . . . 3.17 111.113 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' ASN . . . . . 0.407 ' HB3' ' HB3' ' B' ' 113' ' ' SER . 29.9 t30 -100.06 134.6 42.73 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 107.816 -1.179 . . . . 2.7 107.816 169.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.632 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 5.1 m -129.2 134.41 47.99 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 120.846 0.355 . . . . 1.93 111.113 -173.506 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -149.38 147.08 27.87 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 116.071 -0.513 . . . . 3.73 110.252 175.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 32.8 m -88.36 124.17 33.65 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.403 -0.817 . . . . 1.67 110.525 -173.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 34.6 m -131.8 135.04 46.45 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.57 -0.741 . . . . 2.25 109.337 -178.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.472 ' HB ' ' HB3' ' B' ' 105' ' ' ASP . 13.9 p -78.48 137.81 38.13 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.845 0.355 . . . . 2.78 111.139 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 20.5 p -86.58 122.53 30.63 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 109.766 -0.457 . . . . 2.69 109.766 176.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' HIS . . . . . 0.51 ' HA ' ' O ' ' B' ' 104' ' ' ILE . 18.7 p-80 -104.57 121.89 44.45 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.099 -0.501 . . . . 3.71 110.521 -178.048 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.595 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 7.2 t -112.55 160.88 17.38 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.865 -0.791 . . . . 1.48 108.865 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.406 ' CE1' ' HB3' ' B' ' 103' ' ' ARG . 97.5 m-85 -102.91 117.91 35.65 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.988 0.423 . . . . 1.75 110.477 -175.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 27.6 m -110.02 153.36 11.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.625 -0.716 . . . . 1.08 110.287 -177.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -91.63 105.19 17.55 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.401 -0.818 . . . . 3.82 109.434 -176.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.33 144.19 51.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.964 0.411 . . . . 1.13 111.706 -174.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 27.0 tp -76.91 104.46 7.42 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.313 -0.625 . . . . 1.45 109.313 175.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' THR . . . . . 0.427 HG22 ' HA ' ' B' ' 38' ' ' VAL . 60.1 p -121.21 154.79 35.81 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.854 -0.612 . . . . 1.15 109.401 -178.448 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.457 ' CG2' ' HB ' ' B' ' 37' ' ' THR . 10.8 t -96.03 121.78 38.16 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 119.885 -0.726 . . . . 1.32 109.645 179.075 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.58 -26.54 67.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.784 -1.098 . . . . 2.46 109.941 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -176.35 -64.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 107.894 -1.15 . . . . 3.09 107.894 179.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -137.29 30.93 2.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.662 0.744 . . . . 3.3 109.243 171.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -144.03 118.12 9.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.077 -0.965 . . . . 2.74 109.905 -175.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.94 125.67 30.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.352 -0.385 . . . . 1.44 110.633 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.72 149.56 37.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.804 -0.634 . . . . 1.39 110.201 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -79.11 100.63 7.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.034 0.445 . . . . 2.35 110.387 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -100.42 168.84 9.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.833 -0.621 . . . . 3.48 110.071 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -106.65 101.43 10.88 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.699 -0.852 . . . . 1.98 108.699 178.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 40.4 pt -112.22 142.61 24.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.196 0.522 . . . . 0.86 110.845 -172.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.595 ' HA ' ' O ' ' B' ' 85' ' ' THR . 7.5 ppt_? -82.8 131.95 35.18 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.712 -0.676 . . . . 3.72 110.866 -177.215 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 104' ' ' ILE . . . . . 0.51 ' O ' ' HA ' ' B' ' 84' ' ' HIS . 47.8 pt -122.97 145.84 29.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.242 -0.89 . . . . 0.83 109.031 172.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 105' ' ' ASP . . . . . 0.472 ' HB3' ' HB ' ' B' ' 82' ' ' THR . 16.6 m-20 -85.39 97.4 9.97 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.735 -0.839 . . . . 1.69 108.735 178.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 10.2 t -91.88 -13.72 30.83 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.781 -0.645 . . . . 2.29 112.104 -167.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -158.17 164.4 36.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.544 0.211 . . . . 1.15 110.873 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 108' ' ' CYS . . . . . 0.522 ' HB3' ' OG ' ' B' ' 17' ' ' SER . 44.4 t -122.74 115.77 22.61 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.278 -0.638 . . . . 1.56 109.278 177.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 19.7 m -117.86 153.4 19.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.88 0.371 . . . . 1.08 110.928 -174.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.632 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 41.5 t -94.86 114.95 26.87 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.924 -0.769 . . . . 1.45 108.924 173.227 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.412 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 34.7 m -96.24 142.44 13.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.784 -0.45 . . . . 1.52 109.784 -179.2 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 58.6 mt -102.35 139.5 37.87 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.221 0.534 . . . . 1.67 110.697 -177.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.407 ' HB3' ' HB3' ' B' ' 77' ' ' ASN . 8.7 t -125.02 144.42 50.4 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 108.523 -0.917 . . . . 2.62 108.523 173.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -77.89 9.3 3.68 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.546 -0.297 . . . . 6.72 111.353 -175.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt 75.47 -61.47 0.47 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.542 0.737 . . . . 4.59 110.385 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -87.34 54.13 3.05 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.209 0.528 . . . . 4.5 110.062 176.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 117' ' ' THR . . . . . 0.434 ' O ' ' HD2' ' B' ' 118' ' ' ARG . 2.5 p -92.21 -4.2 54.48 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.893 -0.594 . . . . 5.74 111.874 -176.292 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 118' ' ' ARG . . . . . 0.434 ' HD2' ' O ' ' B' ' 117' ' ' THR . 13.8 mmm180 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.464 -0.779 . . . . 8.68 109.631 178.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 121.069 0.462 . . . . 13.98 110.758 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 p -143.0 135.8 27.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.095 -0.502 . . . . 12.75 110.043 178.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.1 t -158.79 158.62 33.9 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.626 -0.509 . . . . 11.35 109.626 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -140.9 79.06 19.05 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-O 120.929 0.395 . . . . 10.28 111.11 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -70.36 64.38 2.15 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 123.162 2.575 . . . . 7.63 111.431 176.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.9 t 72.05 -12.02 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 115.337 -0.847 . . . . 6.65 111.287 -178.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -76.8 20.96 0.22 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.12 0.486 . . . . 7.27 111.776 -177.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -153.87 21.5 0.52 Allowed 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 107.887 -1.153 . . . . 7.72 107.887 171.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 53.9 mtp -131.72 -40.4 1.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.674 -1.148 . . . . 5.34 109.933 -175.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -129.51 38.33 2.02 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-N 115.588 -0.733 . . . . 3.98 112.128 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.35 28.16 8.38 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.029 0.442 . . . . 4.63 110.8 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -73.15 120.43 18.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.754 -0.657 . . . . 3.65 109.844 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.9 p -77.46 144.18 37.98 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.986 -0.552 . . . . 2.42 110.329 -178.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.3 m -61.91 -20.32 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-N 115.928 -0.578 . . . . 1.41 111.709 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.488 ' HB2' ' SG ' ' A' ' 110' ' ' CYS . 28.7 t -142.78 150.3 39.83 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.9 -0.778 . . . . 1.75 108.9 177.572 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -82.06 138.97 34.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.146 0.498 . . . . 2.87 110.811 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.0 p -138.46 150.91 46.92 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.955 -0.566 . . . . 1.72 111.113 -175.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.522 ' HB ' ' NE ' ' A' ' 59' ' ' ARG . 4.6 p -123.5 118.29 53.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.05 -0.523 . . . . 1.51 110.441 176.36 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.5 m -93.95 124.34 37.9 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.234 -0.439 . . . . 1.66 110.454 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 67.9 t -119.67 137.84 52.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.225 -0.443 . . . . 1.03 110.729 -177.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.428 ' HA ' ' O ' ' A' ' 53' ' ' PHE . 95.3 m95 -96.63 96.63 8.77 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.219 -0.66 . . . . 1.61 109.219 173.244 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.4 t -77.48 121.04 29.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.728 -0.669 . . . . 0.96 109.975 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.11 8.03 33.11 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.509 -0.853 . . . . 1.27 112.452 -178.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -148.18 47.18 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 3.02 110.964 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -71.89 131.78 43.48 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.357 -0.608 . . . . 1.32 109.357 177.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.6 t -103.77 -34.17 8.66 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.162 0.43 . . . . 1.82 112.162 -172.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.0 p -140.66 148.03 40.2 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.009 -0.432 . . . . 1.01 111.587 -177.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -149.16 170.52 18.24 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.827 -0.624 . . . . 0.79 110.209 175.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.6 m -108.71 119.34 39.24 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.053 -0.522 . . . . 1.02 110.29 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.484 ' OD1' ' HB3' ' A' ' 100' ' ' ARG . 19.6 t70 -68.59 159.78 31.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.5 -0.773 . . . . 1.85 109.677 177.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.0 tt -58.87 -21.39 19.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 122.722 0.409 . . . . 1.33 111.566 -178.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -82.9 -9.6 59.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.909 0.385 . . . . 2.22 111.032 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.29 16.86 36.17 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.827 -0.701 . . . . 1.25 112.501 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -94.05 140.81 29.26 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.583 0.23 . . . . 2.14 110.809 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -85.84 115.27 23.37 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.103 -0.703 . . . . 2.19 109.103 173.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -117.9 150.96 19.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 116.076 -0.511 . . . . 1.02 111.125 -175.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.468 ' HB ' ' CG2' ' A' ' 92' ' ' THR . 17.8 m -83.37 118.32 23.62 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 115.539 -0.755 . . . . 1.04 109.493 178.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.468 ' HA ' HG22 ' A' ' 91' ' ' THR . 97.5 t -82.61 135.7 24.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.119 -0.491 . . . . 1.1 110.681 -175.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 66.1 mt -104.56 105.67 15.86 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 109.345 -0.613 . . . . 1.91 109.345 178.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.54 -28.41 69.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.531 0.681 . . . . 2.18 109.825 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.416 ' HG2' ' HG2' ' A' ' 50' ' ' ARG . 37.5 mt-10 -106.64 126.19 51.96 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.886 -1.052 . . . . 3.59 108.871 174.266 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.2 m -88.85 122.7 40.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 121.461 0.648 . . . . 2.4 110.363 -176.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -86.88 98.34 11.16 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.295 -0.866 . . . . 3.25 110.131 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.428 ' HB ' ' HB2' ' A' ' 47' ' ' SER . 77.6 mt -117.06 148.31 19.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 108.222 -1.029 . . . . 2.77 108.222 176.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -58.47 108.93 0.69 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.749 0.309 . . . . 3.84 110.692 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.19 28.39 3.06 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.198 -0.91 . . . . 4.76 110.896 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.428 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 67.7 m -157.76 114.29 2.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.892 0.377 . . . . 3.33 110.76 175.572 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 52.1 t -132.36 115.78 26.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 2.37 109.923 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -149.38 157.5 43.37 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.736 0.303 . . . . 4.13 111.039 -178.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.416 ' HG2' ' HG2' ' A' ' 41' ' ' GLU . 62.3 mtp180 -84.95 124.94 32.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.802 -0.636 . . . . 4.84 111.005 -176.296 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.496 ' HB3' ' HD2' ' B' ' 88' ' ' LYS . 15.9 mm100 -112.61 100.84 9.04 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.66 -0.7 . . . . 4.56 109.887 179.168 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -67.98 167.7 13.28 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.253 -0.431 . . . . 2.46 111.545 -173.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.428 ' O ' ' HA ' ' A' ' 21' ' ' TRP . 80.0 m-85 -124.76 136.73 54.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.958 -0.564 . . . . 1.16 110.806 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -94.11 101.59 13.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.313 -0.403 . . . . 3.56 110.101 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -121.04 121.87 38.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.933 0.396 . . . . 1.49 110.536 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.2 m -106.82 127.95 53.84 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.002 -0.545 . . . . 1.07 110.516 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -112.24 157.84 20.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.201 -0.454 . . . . 2.48 110.3 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.453 ' SG ' HG23 ' A' ' 82' ' ' THR . 70.6 m -79.39 125.15 29.16 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.239 -0.437 . . . . 1.73 110.363 179.125 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.522 ' NE ' ' HB ' ' A' ' 18' ' ' VAL . 87.3 mtt180 -81.51 88.68 6.16 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.936 -0.394 . . . . 3.48 109.936 176.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 60.28 86.91 0.09 Allowed 'General case' 0 C--O 1.233 0.201 0 O-C-N 123.87 0.731 . . . . 2.58 110.308 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.6 m -52.69 135.79 34.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.662 -0.699 . . . . 2.76 111.546 -176.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 70.97 81.46 0.18 Allowed Pre-proline 0 C--O 1.234 0.258 0 CA-C-N 115.375 -0.83 . . . . 2.59 110.312 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.51 -27.08 81.63 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.007 2.471 . . . . 2.57 112.95 -177.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 36.0 m -117.78 159.49 17.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.829 0.347 . . . . 2.53 110.113 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -70.43 -8.93 54.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 4.19 111.687 -173.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.42 ' HB3' ' HB3' ' A' ' 73' ' ' SER . 19.7 m -105.26 16.08 26.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.029 0.442 . . . . 3.9 110.591 177.411 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.97 -106.33 2.57 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.837 -0.697 . . . . 2.6 111.886 178.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 85.2 m -110.62 145.83 37.22 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.969 0.414 . . . . 1.73 110.387 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 45.2 ttm180 -67.5 119.2 11.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.663 -0.699 . . . . 3.94 111.185 -173.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 111.89 -27.18 10.59 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.719 -0.753 . . . . 1.61 112.575 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.9 mm -74.67 134.43 29.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.812 0.339 . . . . 1.65 111.325 -177.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -70.28 115.03 9.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 3.32 109.801 175.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.42 ' HB3' ' HB3' ' A' ' 66' ' ' SER . 4.8 p -85.79 6.46 27.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.102 -0.499 . . . . 4.63 112.204 -173.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -96.14 -44.06 7.47 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.777 0.322 . . . . 3.06 110.21 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -90.96 -30.34 16.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.983 -0.553 . . . . 3.51 110.741 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.466 ' CE3' ' HB3' ' A' ' 112' ' ' LEU . 98.8 m95 -127.85 156.4 42.61 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.916 -0.584 . . . . 3.17 110.774 -177.059 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.539 ' OD1' ' HB3' ' A' ' 113' ' ' SER . 3.0 p-10 -125.28 141.3 52.16 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 107.782 -1.192 . . . . 2.69 107.782 165.202 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.54 ' HA ' ' O ' ' A' ' 111' ' ' VAL . 8.4 t -134.75 144.39 47.68 Favored 'General case' 0 C--N 1.315 -0.904 0 C-N-CA 120.676 -0.41 . . . . 1.93 110.639 -174.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -144.39 150.35 37.59 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.775 -0.648 . . . . 3.73 110.19 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.703 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 44.5 m -79.59 121.34 25.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.28 -0.873 . . . . 1.67 110.842 -176.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 46.6 m -131.25 131.04 43.62 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.884 -0.598 . . . . 2.24 109.793 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.465 ' HB ' ' HB3' ' A' ' 105' ' ' ASP . 6.3 p -73.98 121.24 20.72 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 121.007 0.432 . . . . 2.78 110.917 177.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.4 t -79.1 138.97 38.17 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 121.256 0.551 . . . . 2.69 110.083 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -103.49 126.65 50.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.562 -0.745 . . . . 3.71 109.969 -173.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.496 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 13.8 t -117.35 158.03 25.12 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.007 -0.738 . . . . 1.48 109.007 177.005 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.429 ' HB3' ' HB3' ' A' ' 101' ' ' PHE . 86.9 m-85 -104.66 115.98 31.27 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.919 -0.401 . . . . 1.75 109.919 -177.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' A' ' 101' ' ' PHE . 17.3 m -111.17 147.22 15.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.313 0.578 . . . . 1.08 111.562 -176.494 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.492 ' HD2' ' HB3' ' B' ' 51' ' ' GLN . 36.8 pttt -80.55 100.89 8.82 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.726 -1.125 . . . . 3.82 110.855 -179.277 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.62 148.27 50.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.715 -0.675 . . . . 1.13 110.71 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.6 tp -75.38 112.0 11.25 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.474 -0.565 . . . . 1.45 109.474 176.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.468 HG22 ' HA ' ' A' ' 38' ' ' VAL . 73.7 p -129.06 159.75 34.96 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.165 -0.47 . . . . 1.14 109.953 -178.086 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.468 ' CG2' ' HB ' ' A' ' 37' ' ' THR . 9.6 t -121.13 122.12 39.33 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.231 0.539 . . . . 1.32 109.947 176.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -80.18 -22.06 42.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.799 -0.637 . . . . 2.47 110.586 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -163.33 -67.15 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.913 -0.585 . . . . 3.09 110.225 -178.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -121.03 -54.13 2.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.997 0.427 . . . . 3.29 111.266 -177.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -78.61 151.25 32.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.15 -0.477 . . . . 2.74 111.265 -175.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.5 127.95 49.33 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.622 -0.717 . . . . 1.44 109.759 176.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -136.48 147.26 47.07 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.783 0.325 . . . . 1.38 110.942 -177.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -78.05 94.57 4.68 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.599 -0.519 . . . . 2.35 109.599 177.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.484 ' HB3' ' OD1' ' A' ' 30' ' ' ASP . 13.9 mmm180 -104.95 161.57 14.09 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.322 -0.854 . . . . 3.48 110.298 -174.53 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.49 ' HA ' ' O ' ' A' ' 87' ' ' VAL . 90.4 m-85 -98.85 110.2 22.84 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.635 -0.505 . . . . 1.98 109.635 176.092 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 28.7 pt -113.33 147.1 17.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.06 -0.518 . . . . 0.86 110.904 -174.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.496 ' HA ' ' O ' ' A' ' 85' ' ' THR . 1.3 ptm180 -78.39 115.31 18.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.439 0.638 . . . . 3.71 111.617 -178.022 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 45.0 pt -116.06 150.1 18.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 109.163 -0.68 . . . . 0.83 109.163 170.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.465 ' HB3' ' HB ' ' A' ' 82' ' ' THR . 5.5 m-20 -84.28 107.33 16.52 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.917 -0.771 . . . . 1.69 108.917 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.7 t -94.16 -25.05 17.28 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.539 0.57 . . . . 2.29 112.539 -168.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.43 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -158.76 160.54 36.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.636 0.255 . . . . 1.14 110.957 -176.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.703 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 51.0 t -107.73 115.14 29.6 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.108 -0.701 . . . . 1.56 109.108 178.044 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 24.6 m -116.01 146.42 20.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.893 0.378 . . . . 1.07 111.033 -174.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.488 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 69.5 m -89.3 112.4 23.46 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.15 -0.477 . . . . 1.45 109.978 175.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.54 ' O ' ' HA ' ' A' ' 78' ' ' SER . 27.0 m -89.59 144.76 8.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.106 -0.497 . . . . 1.52 110.308 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.466 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . 84.3 mt -106.49 139.18 41.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.944 0.402 . . . . 1.67 111.256 -178.426 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.539 ' HB3' ' OD1' ' A' ' 77' ' ' ASN . 20.3 t -132.22 146.59 52.11 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.875 -0.602 . . . . 2.62 109.387 173.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.441 ' O ' ' HG3' ' A' ' 114' ' ' ARG . 20.6 tpp180 -76.26 7.47 4.25 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.08 -0.509 . . . . 6.73 111.523 -174.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt 63.37 32.58 14.48 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.357 0.599 . . . . 4.59 110.126 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -148.19 136.03 20.92 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.661 -0.7 . . . . 4.5 110.309 -177.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.5 p -88.19 153.73 21.0 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.201 -0.454 . . . . 5.74 110.81 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.957 0 N-CA-C 108.506 -0.924 . . . . 8.67 108.506 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.474 0.746 0 CA-C-O 121.036 0.446 . . . . 13.98 110.629 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 12.9 p -143.1 136.24 28.08 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.091 -0.504 . . . . 12.76 110.094 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 14.9 t -159.31 158.08 31.72 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.865 -0.42 . . . . 11.36 109.865 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -140.28 79.08 21.95 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-O 120.912 0.387 . . . . 10.29 111.127 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -70.44 64.53 2.2 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 123.099 2.533 . . . . 7.63 111.478 176.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 27.6 t 72.06 -12.05 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 CA-C-N 115.291 -0.868 . . . . 6.65 111.278 -178.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -76.8 20.73 0.23 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.208 0.528 . . . . 7.27 111.805 -177.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -153.6 21.42 0.54 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 107.8 -1.185 . . . . 7.72 107.8 171.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 54.4 mtp -131.42 -40.8 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.749 -1.114 . . . . 5.34 109.698 -175.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -129.05 38.22 2.06 Favored Glycine 0 N--CA 1.444 -0.794 0 CA-C-N 115.592 -0.731 . . . . 3.98 112.112 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.41 28.94 7.62 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.219 0.533 . . . . 4.62 110.791 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -73.73 120.33 19.17 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.664 -0.698 . . . . 3.65 109.747 177.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 41.7 p -77.54 144.04 37.93 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.039 -0.528 . . . . 2.42 110.305 -178.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.5 m -61.75 -20.06 22.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 115.911 -0.586 . . . . 1.41 111.897 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.486 ' HB2' ' SG ' ' B' ' 110' ' ' CYS . 28.1 t -142.94 150.48 39.8 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.874 -0.787 . . . . 1.75 108.874 177.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -82.61 138.96 34.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.143 0.497 . . . . 2.87 110.789 -179.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 28.4 p -138.61 150.75 46.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.902 -0.59 . . . . 1.72 111.11 -175.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.514 ' HB ' ' NE ' ' B' ' 59' ' ' ARG . 4.4 p -123.42 117.99 53.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.046 -0.525 . . . . 1.51 110.456 176.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 50.5 m -93.57 124.37 37.52 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.236 -0.438 . . . . 1.66 110.519 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 69.4 t -119.54 137.92 51.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.269 -0.423 . . . . 1.03 110.682 -177.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' TRP . . . . . 0.443 ' HA ' ' O ' ' B' ' 53' ' ' PHE . 95.3 m95 -96.78 96.46 8.59 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.279 -0.637 . . . . 1.61 109.279 173.181 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 48.0 t -77.1 121.31 29.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.578 -0.737 . . . . 0.96 110.048 -178.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.53 8.02 32.26 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.525 -0.845 . . . . 1.27 112.444 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -147.98 46.67 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 3.01 111.065 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -71.31 132.06 44.34 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.275 -0.639 . . . . 1.32 109.275 177.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 14.1 t -104.1 -33.79 8.63 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.173 0.435 . . . . 1.82 112.173 -172.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.7 p -141.07 148.49 40.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.922 0.391 . . . . 1.0 111.45 -178.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -149.52 170.17 19.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.788 -0.642 . . . . 0.79 110.273 175.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 31.2 m -108.05 119.43 39.45 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.171 -0.468 . . . . 1.01 110.336 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ASP . . . . . 0.483 ' OD1' ' HB3' ' B' ' 100' ' ' ARG . 19.1 t70 -68.65 159.71 31.57 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.483 -0.78 . . . . 1.84 109.659 177.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 16.0 tt -58.94 -21.14 18.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-N 116.335 -0.393 . . . . 1.33 111.679 -178.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -83.14 -9.35 59.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.401 -0.363 . . . . 2.22 110.978 178.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.99 16.96 36.6 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.798 -0.715 . . . . 1.25 112.478 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -94.22 140.23 30.03 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.509 0.195 . . . . 2.14 110.856 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -85.17 115.45 22.97 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.012 -0.736 . . . . 2.19 109.012 173.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -118.09 150.97 20.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 116.14 -0.482 . . . . 1.01 111.08 -175.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' THR . . . . . 0.468 ' HB ' HG23 ' B' ' 92' ' ' THR . 16.1 m -82.8 118.36 23.34 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.391 -0.822 . . . . 1.04 109.533 178.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.467 ' HA ' HG22 ' B' ' 91' ' ' THR . 98.3 t -82.66 135.99 23.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 116.098 -0.501 . . . . 1.1 110.563 -176.101 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 65.5 mt -104.77 105.75 15.96 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.38 -0.6 . . . . 1.91 109.38 177.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.49 -28.46 69.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.452 0.644 . . . . 2.18 109.819 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.421 ' HG2' ' HG2' ' B' ' 50' ' ' ARG . 37.8 mt-10 -106.58 126.41 52.23 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.998 -1.001 . . . . 3.59 108.674 174.343 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 28.0 m -88.97 122.44 40.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-O 121.45 0.643 . . . . 2.39 110.453 -176.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -86.74 98.29 11.07 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.297 -0.865 . . . . 3.25 110.136 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.426 ' HB ' ' HB2' ' B' ' 47' ' ' SER . 77.4 mt -116.82 148.67 19.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 108.249 -1.019 . . . . 2.77 108.249 176.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -58.53 109.35 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.666 0.27 . . . . 3.84 110.609 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 70.49 28.35 3.69 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.221 -0.9 . . . . 4.76 110.994 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' SER . . . . . 0.426 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 71.6 m -157.65 114.36 2.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.789 0.328 . . . . 3.33 110.837 175.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 54.2 t -132.43 116.05 27.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.832 -0.433 . . . . 2.38 109.832 176.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -149.66 157.22 43.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.797 0.332 . . . . 4.13 110.945 -178.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.421 ' HG2' ' HG2' ' B' ' 41' ' ' GLU . 62.2 mtp180 -84.35 125.24 32.11 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.777 -0.647 . . . . 4.84 111.122 -176.494 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.492 ' HB3' ' HD2' ' A' ' 88' ' ' LYS . 15.9 mm100 -112.85 100.59 8.78 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.687 -0.688 . . . . 4.56 109.96 179.06 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -67.53 167.92 11.96 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 120.971 0.415 . . . . 2.45 111.698 -173.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' PHE . . . . . 0.443 ' O ' ' HA ' ' B' ' 21' ' ' TRP . 79.9 m-85 -124.88 136.77 54.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.9 -0.591 . . . . 1.16 110.749 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -94.28 101.75 13.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.311 -0.404 . . . . 3.56 110.012 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -121.2 121.73 38.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.89 0.376 . . . . 1.49 110.534 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 61.4 m -106.61 128.15 53.92 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.982 -0.554 . . . . 1.07 110.501 -178.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -112.34 157.69 20.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.232 -0.44 . . . . 2.48 110.35 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' CYS . . . . . 0.469 ' SG ' HG23 ' B' ' 82' ' ' THR . 68.9 m -79.25 125.42 29.45 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.3 -0.409 . . . . 1.73 110.33 179.039 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' ARG . . . . . 0.514 ' NE ' ' HB ' ' B' ' 18' ' ' VAL . 87.3 mtt180 -81.95 88.91 6.35 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.87 -0.419 . . . . 3.49 109.87 176.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . 59.92 87.15 0.09 Allowed 'General case' 0 C--O 1.233 0.206 0 O-C-N 123.76 0.662 . . . . 2.58 110.238 -176.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 39.8 m -52.38 135.99 32.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.46 -0.791 . . . . 2.76 111.353 -176.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 70.52 81.5 0.19 Allowed Pre-proline 0 C--O 1.232 0.182 0 CA-C-N 115.357 -0.838 . . . . 2.59 110.233 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -61.26 -27.3 83.21 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 122.866 2.377 . . . . 2.57 112.99 -177.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 35.4 m -117.69 159.75 17.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.992 -0.373 . . . . 2.53 109.992 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -70.83 -8.76 54.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.119 -0.491 . . . . 4.2 111.663 -173.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' SER . . . . . 0.417 ' HB3' ' HB3' ' B' ' 73' ' ' SER . 19.5 m -105.53 16.51 25.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.096 0.474 . . . . 3.9 110.583 177.279 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.51 -106.19 2.6 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.879 -0.677 . . . . 2.6 112.077 178.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 85.0 m -110.73 145.71 37.57 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.789 0.328 . . . . 1.74 110.452 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 45.2 ttm180 -67.15 119.25 11.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.696 -0.683 . . . . 3.95 111.26 -173.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 111.8 -27.22 10.61 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.671 -0.776 . . . . 1.6 112.632 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 48.6 mm -74.78 134.17 30.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.672 0.272 . . . . 1.65 111.219 -177.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -70.0 115.25 8.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 3.32 109.866 175.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' B' ' 76' ' ' TRP . 5.2 p -86.14 6.95 26.87 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.116 -0.493 . . . . 4.63 112.134 -173.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -96.82 -43.4 7.52 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.813 0.339 . . . . 3.06 110.362 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 -91.29 -30.57 16.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.95 -0.568 . . . . 3.51 110.753 179.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' TRP . . . . . 0.458 ' CE3' ' HB3' ' B' ' 112' ' ' LEU . 98.7 m95 -127.88 156.23 42.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.955 -0.566 . . . . 3.17 110.79 -177.047 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 77' ' ' ASN . . . . . 0.529 ' OD1' ' HB3' ' B' ' 113' ' ' SER . 3.0 p-10 -125.32 141.15 52.24 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 107.682 -1.229 . . . . 2.7 107.682 165.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.561 ' HA ' ' O ' ' B' ' 111' ' ' VAL . 8.4 t -134.57 144.45 47.96 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.757 -0.377 . . . . 1.93 110.564 -174.395 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -144.4 150.59 37.97 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.778 -0.646 . . . . 3.73 110.082 175.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.704 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 45.2 m -79.72 121.45 25.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.282 -0.872 . . . . 1.67 110.71 -176.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 47.4 m -131.32 130.71 43.07 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.879 -0.601 . . . . 2.25 109.864 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.472 ' HB ' ' HB3' ' B' ' 105' ' ' ASP . 6.6 p -73.71 120.89 19.94 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-O 120.99 0.424 . . . . 2.78 110.957 177.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 9.7 t -79.03 139.14 38.23 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-O 121.275 0.559 . . . . 2.69 109.934 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 27.7 m-70 -103.61 126.68 50.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.459 -0.791 . . . . 3.71 110.012 -173.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.496 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 13.9 t -117.39 157.79 25.58 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.085 -0.709 . . . . 1.48 109.085 176.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.448 ' HB3' ' HB3' ' B' ' 101' ' ' PHE . 86.9 m-85 -104.5 116.01 31.35 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.022 0.439 . . . . 1.75 109.977 -177.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 87' ' ' VAL . . . . . 0.492 ' O ' ' HA ' ' B' ' 101' ' ' PHE . 17.4 m -111.12 146.96 15.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.384 0.611 . . . . 1.08 111.672 -176.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 88' ' ' LYS . . . . . 0.496 ' HD2' ' HB3' ' A' ' 51' ' ' GLN . 36.9 pttt -80.22 100.89 8.54 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.724 -1.126 . . . . 3.82 111.038 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.63 148.34 50.79 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.701 -0.681 . . . . 1.13 110.69 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 21.7 tp -75.6 112.0 11.5 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.431 -0.581 . . . . 1.45 109.431 176.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' THR . . . . . 0.467 HG22 ' HA ' ' B' ' 38' ' ' VAL . 72.1 p -128.98 159.62 35.3 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.012 -0.54 . . . . 1.15 109.921 -178.002 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.468 HG23 ' HB ' ' B' ' 37' ' ' THR . 10.1 t -121.1 122.26 39.66 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.334 0.588 . . . . 1.32 109.993 176.143 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -80.46 -21.67 41.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.799 -0.637 . . . . 2.46 110.49 -178.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -163.63 -67.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.163 -0.472 . . . . 3.09 110.216 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -120.99 -53.68 2.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.314 -0.403 . . . . 3.3 111.588 -178.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -79.02 151.69 31.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.14 -0.482 . . . . 2.74 111.267 -175.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.95 127.7 50.06 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.897 -0.592 . . . . 1.44 109.715 176.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -136.1 147.09 47.65 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.918 0.39 . . . . 1.39 110.988 -177.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -77.71 95.06 4.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.304 0.573 . . . . 2.35 109.57 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 100' ' ' ARG . . . . . 0.483 ' HB3' ' OD1' ' B' ' 30' ' ' ASP . 13.8 mmm180 -105.4 161.54 14.23 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.286 -0.87 . . . . 3.48 110.321 -174.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.492 ' HA ' ' O ' ' B' ' 87' ' ' VAL . 90.2 m-85 -98.71 110.18 22.82 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.698 -0.482 . . . . 1.98 109.698 175.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 28.9 pt -113.39 147.04 17.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.961 -0.563 . . . . 0.86 111.008 -174.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.496 ' HA ' ' O ' ' B' ' 85' ' ' THR . 1.2 ptm180 -78.33 115.22 17.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.445 0.641 . . . . 3.72 111.564 -177.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 44.8 pt -116.02 150.1 18.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 N-CA-C 109.152 -0.684 . . . . 0.83 109.152 170.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' ASP . . . . . 0.472 ' HB3' ' HB ' ' B' ' 82' ' ' THR . 6.0 m-20 -84.33 107.26 16.51 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 109.016 -0.735 . . . . 1.69 109.016 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 9.8 t -94.08 -24.99 17.36 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.525 0.565 . . . . 2.29 112.525 -168.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' ALA . . . . . 0.433 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -158.77 160.5 36.38 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 121.054 -0.258 . . . . 1.15 110.934 -177.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 108' ' ' CYS . . . . . 0.704 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 50.2 t -107.63 115.16 29.65 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.21 -0.663 . . . . 1.56 109.21 177.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 24.5 m -115.99 146.15 20.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.839 0.352 . . . . 1.08 111.067 -174.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.486 ' SG ' ' HB2' ' B' ' 15' ' ' CYS . 69.5 m -88.97 112.51 23.44 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.291 -0.413 . . . . 1.45 109.997 175.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.561 ' O ' ' HA ' ' B' ' 78' ' ' SER . 27.1 m -89.78 144.76 8.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.162 -0.472 . . . . 1.52 110.344 -179.361 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.458 ' HB3' ' CE3' ' B' ' 76' ' ' TRP . 83.8 mt -106.3 139.11 41.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.911 0.386 . . . . 1.67 111.264 -178.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.529 ' HB3' ' OD1' ' B' ' 77' ' ' ASN . 20.1 t -132.16 146.44 52.03 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.922 -0.581 . . . . 2.62 109.459 173.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 114' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' B' ' 114' ' ' ARG . 20.3 tpp180 -76.19 7.64 4.03 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.24 -0.437 . . . . 6.72 111.397 -174.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 115' ' ' LYS . . . . . 0.407 ' HG2' ' HB3' ' B' ' 77' ' ' ASN . 49.2 mtpt 63.14 32.56 15.07 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.218 0.532 . . . . 4.59 110.21 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -147.82 136.57 21.86 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.707 -0.679 . . . . 4.5 110.142 -178.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 8.9 p -88.84 154.1 20.53 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.261 -0.427 . . . . 5.74 110.788 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.816 0 N-CA-C 108.557 -0.905 . . . . 8.68 108.557 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.4 m . . . . . 0 N--CA 1.475 0.815 0 CA-C-O 120.881 0.372 . . . . 13.98 110.779 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 p -126.79 -61.72 1.16 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.052 0.454 . . . . 12.75 110.07 176.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.6 p -92.27 -30.97 15.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.886 -0.597 . . . . 11.35 110.421 176.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.4 t60 -118.32 115.24 36.12 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.649 -0.705 . . . . 10.28 110.031 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -75.63 116.34 4.44 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.308 2.005 . . . . 7.63 111.671 178.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.6 t -90.64 63.84 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.639 0.733 . . . . 6.65 109.876 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -90.75 -19.98 22.92 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.911 -0.586 . . . . 7.27 110.906 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 50.0 t60 -72.64 -3.91 27.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.454 0.645 . . . . 7.72 110.258 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 74.7 mtm -137.79 30.67 2.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.652 -0.703 . . . . 5.34 109.181 172.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -142.62 -36.03 0.09 OUTLIER Glycine 0 N--CA 1.453 -0.23 0 CA-C-N 115.318 -0.855 . . . . 3.98 112.365 -178.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -96.81 38.43 1.22 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.205 0.526 . . . . 4.63 110.384 177.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -110.68 100.72 9.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.76 -0.655 . . . . 3.65 110.145 178.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.4 t -90.21 156.49 18.28 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.593 -0.731 . . . . 2.42 110.31 -178.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.4 m -75.47 -17.78 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.593 -0.731 . . . . 1.41 111.031 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.645 ' HB2' ' SG ' ' A' ' 110' ' ' CYS . 42.0 t -133.27 152.37 51.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.954 -0.566 . . . . 1.75 109.936 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -94.89 115.65 27.73 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.762 -0.459 . . . . 2.87 109.762 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.481 ' OG ' ' HB3' ' A' ' 108' ' ' CYS . 17.9 m -122.65 160.63 25.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.041 -0.527 . . . . 1.72 111.246 -173.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.436 ' HB ' ' HD2' ' A' ' 59' ' ' ARG . 3.5 p -126.05 116.12 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.939 0.4 . . . . 1.51 110.698 175.568 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.421 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 49.5 m -94.85 121.14 36.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.364 -0.38 . . . . 1.66 110.184 177.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.3 t -119.29 138.1 51.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.042 -0.526 . . . . 1.03 110.446 -177.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -95.37 95.81 8.71 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.873 -0.788 . . . . 1.61 108.873 173.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.444 HG21 ' OE2' ' A' ' 55' ' ' GLU . 85.2 t -88.76 122.7 40.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.13 -0.941 . . . . 0.96 111.355 -173.097 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.87 24.68 7.83 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 110.844 -0.902 . . . . 1.27 110.844 173.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -130.44 15.65 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 3.02 111.35 -178.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -70.43 127.31 32.28 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.674 -0.491 . . . . 1.32 109.674 179.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.5 t -103.07 -30.71 10.58 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.834 0.309 . . . . 1.82 111.834 -175.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.5 p -138.98 142.26 38.36 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.956 0.407 . . . . 1.01 111.778 -178.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.95 167.62 22.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.715 -0.675 . . . . 0.79 110.096 177.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.3 m -108.79 118.94 38.09 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.889 0.376 . . . . 1.02 110.776 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -66.86 165.68 14.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.616 -0.72 . . . . 1.85 110.547 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.475 ' HA ' ' CE1' ' A' ' 86' ' ' PHE . 14.5 tt -59.22 -29.84 42.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.805 0.336 . . . . 1.33 111.297 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -76.96 -11.48 59.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.843 0.354 . . . . 2.22 110.844 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.33 17.78 30.57 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.984 -0.626 . . . . 1.25 112.397 178.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -95.16 138.82 32.35 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.627 0.251 . . . . 2.14 110.647 -178.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -82.53 115.41 21.5 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.539 -0.541 . . . . 2.19 109.539 175.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.0 m -115.94 152.27 17.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.098 -0.501 . . . . 1.02 110.897 -177.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.553 ' HB ' HG23 ' A' ' 92' ' ' THR . 30.9 m -88.63 121.82 31.41 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 115.592 -0.731 . . . . 1.04 109.333 177.073 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.533 ' HA ' HG22 ' A' ' 91' ' ' THR . 98.7 t -81.24 130.35 36.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.807 -0.633 . . . . 1.1 110.869 -175.344 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 75.9 mt -100.01 94.42 6.26 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.997 -0.547 . . . . 1.91 109.527 177.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.521 ' O ' ' HA ' ' A' ' 50' ' ' ARG . . . -60.54 -35.45 76.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.362 0.601 . . . . 2.18 109.619 178.122 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.486 ' HG2' ' HG2' ' A' ' 50' ' ' ARG . 23.9 mt-10 -106.66 115.27 29.9 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.06 -0.973 . . . . 3.59 108.725 175.632 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.528 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 22.5 m -99.65 140.48 18.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.896 0.379 . . . . 2.4 110.977 -175.052 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -112.45 99.3 7.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.995 -0.548 . . . . 3.25 110.016 178.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 54.4 mt -105.29 86.92 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.801 -0.444 . . . . 2.77 109.801 178.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 66.99 -77.78 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.543 -0.753 . . . . 3.84 110.933 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -133.72 2.13 3.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.482 -0.326 . . . . 4.76 110.516 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.1 m -107.94 115.32 29.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.85 0.357 . . . . 3.33 110.366 -178.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.528 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 38.7 t -116.0 125.6 73.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.897 -0.592 . . . . 2.37 110.148 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -145.7 165.48 28.63 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.205 -0.294 . . . . 4.13 110.205 176.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.521 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 95.5 mtt180 -106.24 136.54 45.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.229 -0.442 . . . . 4.84 111.284 -177.294 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -110.66 145.17 38.41 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.715 -0.675 . . . . 4.56 109.8 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -119.0 154.44 33.07 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.251 -0.277 . . . . 2.46 110.251 -178.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -121.41 127.52 51.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.207 -0.452 . . . . 1.16 110.711 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -84.86 103.27 13.78 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.228 0.537 . . . . 3.56 110.327 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.444 ' OE2' HG21 ' A' ' 22' ' ' VAL . 27.0 mt-10 -107.92 113.45 26.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.259 -0.428 . . . . 1.49 110.31 179.086 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.421 ' HA ' ' HA ' ' A' ' 19' ' ' SER . 36.5 m -97.22 103.42 15.35 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.071 -0.513 . . . . 1.07 109.624 176.607 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -103.05 154.27 19.43 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.677 -0.692 . . . . 2.48 110.828 -174.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.483 ' SG ' HG23 ' A' ' 82' ' ' THR . 79.5 m -80.96 110.49 16.55 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.643 -0.708 . . . . 1.73 110.9 -179.1 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.436 ' HD2' ' HB ' ' A' ' 18' ' ' VAL . 17.1 ptm180 -99.32 17.13 20.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.518 0.675 . . . . 3.48 109.371 174.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -167.21 173.2 9.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.653 -1.158 . . . . 2.58 108.81 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.611 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 29.7 t -148.74 -31.5 0.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.135 0.493 . . . . 2.76 110.618 177.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -140.27 76.85 25.61 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 108.818 -0.808 . . . . 2.59 108.818 176.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.15 -42.57 52.89 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.485 2.79 . . . . 2.57 113.682 -171.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.1 m -84.08 -55.37 7.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 112.142 0.423 . . . . 2.53 112.142 -176.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.57 ' HG3' ' H ' ' A' ' 66' ' ' SER . 7.2 pt-20 -168.8 -68.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.79 -0.187 . . . . 4.19 111.418 -177.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.57 ' H ' ' HG3' ' A' ' 65' ' ' GLU . 15.6 m -123.26 -9.7 8.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.832 0.349 . . . . 3.9 111.451 -176.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -136.67 -170.37 11.93 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.765 -0.731 . . . . 2.6 111.901 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 85.0 m -101.85 71.47 1.3 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.933 0.397 . . . . 1.73 111.394 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 70.93 -72.78 0.11 Allowed 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.182 -0.917 . . . . 3.94 112.254 171.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.24 -17.31 32.2 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.514 -0.85 . . . . 1.61 112.83 -176.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.53 HG21 ' OG ' ' A' ' 78' ' ' SER . 44.5 mm -65.52 124.83 21.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.894 0.347 . . . . 1.65 111.215 -176.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -68.53 106.13 2.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.005 -0.543 . . . . 3.32 109.86 174.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.3 p -70.26 -12.53 61.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.882 -0.599 . . . . 4.63 112.024 -174.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -80.74 -32.4 35.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.896 0.379 . . . . 3.06 110.628 -178.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -99.16 -30.43 12.29 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.377 -0.374 . . . . 3.51 110.928 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -126.96 140.04 52.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.228 0.537 . . . . 3.17 111.896 -176.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.508 ' HB3' ' HB3' ' A' ' 113' ' ' SER . 4.3 t-20 -93.89 134.47 36.22 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.938 -1.134 . . . . 2.69 107.938 169.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.53 ' OG ' HG21 ' A' ' 71' ' ' ILE . 16.6 m -127.09 138.94 53.29 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.104 0.478 . . . . 1.93 111.588 -176.355 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -153.43 141.95 20.79 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.364 -0.835 . . . . 3.73 109.648 172.199 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.799 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 79.9 m -81.84 123.05 28.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.599 -0.728 . . . . 1.67 110.783 -176.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.3 m -128.74 137.94 51.84 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.781 -0.645 . . . . 2.24 109.55 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.483 HG23 ' SG ' ' A' ' 58' ' ' CYS . 12.4 p -84.19 122.34 28.72 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 121.025 0.441 . . . . 2.78 111.45 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.0 m -76.52 134.37 39.48 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 108.96 -0.756 . . . . 2.69 108.96 174.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.49 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 72.6 m80 -106.27 122.15 45.65 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.763 0.316 . . . . 3.71 110.602 -176.273 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.716 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 3.3 t -109.09 162.16 14.51 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.598 -0.519 . . . . 1.48 109.598 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.475 ' CE1' ' HA ' ' A' ' 31' ' ' ILE . 77.5 m-85 -103.76 117.28 34.0 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.061 -0.348 . . . . 1.75 110.061 -178.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 20.6 m -109.22 138.62 35.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.315 0.578 . . . . 1.08 111.484 -176.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 17.2 pttp -69.41 103.01 1.9 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.992 -1.004 . . . . 3.82 110.914 178.26 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.32 138.98 50.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.331 -0.849 . . . . 1.13 111.213 -178.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.8 tp -73.8 107.48 6.07 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.992 -0.744 . . . . 1.45 108.992 173.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.533 HG22 ' HA ' ' A' ' 38' ' ' VAL . 77.0 p -131.14 162.8 29.1 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.121 -0.49 . . . . 1.14 109.781 -177.258 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.553 HG23 ' HB ' ' A' ' 37' ' ' THR . 4.6 t -117.33 120.5 38.38 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.232 0.539 . . . . 1.32 110.383 179.086 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -77.84 -9.73 59.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.837 -0.619 . . . . 2.47 110.639 178.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -162.26 -78.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.08 -0.509 . . . . 3.09 109.882 177.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -143.05 26.79 1.66 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.084 0.469 . . . . 3.29 110.326 178.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -133.02 117.56 17.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.705 -0.68 . . . . 2.74 109.733 -178.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.72 113.5 15.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.905 0.383 . . . . 1.44 110.865 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -130.82 146.58 52.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.124 -0.489 . . . . 1.38 110.353 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -76.49 101.81 5.77 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.097 0.475 . . . . 2.35 109.864 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.43 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 39.2 mmt180 -105.41 177.57 4.81 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.554 -0.748 . . . . 3.48 110.05 -177.383 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.47 ' HB3' ' HB3' ' A' ' 86' ' ' PHE . 74.6 m-85 -119.5 107.67 13.59 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.687 -0.857 . . . . 1.98 108.687 174.49 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 35.3 pt -111.56 143.37 21.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.983 0.421 . . . . 0.86 111.246 -171.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.716 ' HA ' ' O ' ' A' ' 85' ' ' THR . 20.4 ptp180 -82.81 125.02 30.84 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.723 -0.671 . . . . 3.71 111.229 -174.115 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.49 ' O ' ' HA ' ' A' ' 84' ' ' HIS . 46.2 pt -126.96 154.97 37.66 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 CA-C-N 115.698 -0.683 . . . . 0.83 110.663 177.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -67.18 105.14 1.62 Allowed 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.615 -0.72 . . . . 1.69 109.263 175.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.2 m -90.97 -48.44 6.99 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.164 -0.471 . . . . 2.29 111.446 -171.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.436 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -148.13 147.56 29.63 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.075 -0.511 . . . . 1.14 110.38 -178.081 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.799 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 40.4 t -102.14 109.62 21.36 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.131 -0.692 . . . . 1.56 109.131 177.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.3 m -113.84 143.7 22.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.146 -0.479 . . . . 1.07 111.545 -172.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.645 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 88.5 m -80.03 104.45 10.61 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.894 -0.593 . . . . 1.45 109.492 172.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 32.0 m -89.33 147.29 5.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.533 -0.543 . . . . 1.52 109.533 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.7 mt -102.02 138.94 38.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.428 0.632 . . . . 1.67 110.911 -175.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.508 ' HB3' ' HB3' ' A' ' 77' ' ' ASN . 15.1 t -128.32 153.5 46.94 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.262 -0.881 . . . . 2.62 109.641 177.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -77.57 8.89 3.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.5 . . . . 6.73 111.831 -175.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.433 ' HG2' ' HB2' ' A' ' 77' ' ' ASN . 29.9 mtpp 68.33 39.22 2.31 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.567 0.542 . . . . 4.59 110.113 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -137.87 169.97 16.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.58 -0.736 . . . . 4.5 110.149 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.2 p -141.07 -177.3 5.04 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.5 -0.318 . . . . 5.74 110.356 178.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.47 -0.776 . . . . 8.67 110.128 179.441 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 37.6 m . . . . . 0 N--CA 1.477 0.913 0 CA-C-O 120.828 0.347 . . . . 13.98 111.001 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 21.1 p -126.49 -62.3 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.976 0.417 . . . . 12.76 110.04 176.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 9.9 p -91.6 -31.47 15.88 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.259 0.552 . . . . 11.36 110.449 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -118.04 115.12 36.75 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.665 -0.698 . . . . 10.29 110.026 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -75.42 116.14 4.43 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.372 2.048 . . . . 7.63 111.753 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 19.1 t -90.21 63.01 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.567 0.698 . . . . 6.65 110.165 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -90.26 -20.2 23.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.948 -0.569 . . . . 7.27 110.913 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -72.59 -3.99 28.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.424 0.631 . . . . 7.72 110.119 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 74.4 mtm -137.77 31.35 2.51 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.579 -0.737 . . . . 5.34 109.039 172.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -143.04 -36.29 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.193 0 CA-C-N 115.341 -0.845 . . . . 3.98 112.327 -178.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -96.47 37.78 1.25 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.253 0.549 . . . . 4.62 110.39 178.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -110.29 100.78 9.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.856 -0.611 . . . . 3.65 110.167 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 34.5 t -90.31 156.58 18.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.502 -0.772 . . . . 2.42 110.255 -178.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 29.3 m -75.59 -17.55 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.486 -0.779 . . . . 1.41 111.126 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.653 ' HB2' ' SG ' ' B' ' 110' ' ' CYS . 42.0 t -133.57 152.13 51.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.928 -0.578 . . . . 1.75 109.92 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -94.73 115.7 27.84 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.735 -0.469 . . . . 2.87 109.735 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.484 ' OG ' ' HB3' ' B' ' 108' ' ' CYS . 17.6 m -122.31 161.3 23.62 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.091 -0.504 . . . . 1.72 111.164 -173.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.425 ' HB ' ' HD2' ' B' ' 59' ' ' ARG . 3.4 p -126.62 116.09 43.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.308 -0.405 . . . . 1.51 110.693 175.282 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.433 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 51.1 m -94.73 121.18 36.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.115 0.483 . . . . 1.66 110.328 177.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 48.2 t -119.28 138.01 51.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.994 -0.548 . . . . 1.03 110.408 -177.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -95.22 95.93 8.85 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.892 -0.781 . . . . 1.61 108.892 173.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.433 HG21 ' OE2' ' B' ' 55' ' ' GLU . 90.2 t -88.81 122.64 40.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.168 -0.924 . . . . 0.96 111.354 -173.064 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.83 24.55 7.89 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 110.926 -0.87 . . . . 1.27 110.926 173.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -129.86 14.8 5.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.783 -0.208 . . . . 3.01 111.551 -178.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -69.53 127.42 32.94 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.761 -0.459 . . . . 1.32 109.761 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 10.8 t -103.17 -30.69 10.54 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.803 0.297 . . . . 1.82 111.803 -175.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.4 p -139.12 142.57 38.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.039 0.447 . . . . 1.0 111.568 -178.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -145.29 167.69 22.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.743 -0.662 . . . . 0.79 110.058 177.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 18.7 m -108.84 118.7 37.46 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.818 0.342 . . . . 1.01 110.749 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -66.74 165.51 14.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.593 -0.73 . . . . 1.84 110.72 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.471 ' HA ' ' CE1' ' B' ' 86' ' ' PHE . 14.3 tt -59.07 -29.68 41.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.875 0.369 . . . . 1.33 111.408 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -77.15 -11.52 59.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.096 0.474 . . . . 2.22 110.823 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.13 18.37 29.29 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.886 -0.673 . . . . 1.25 112.233 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -95.57 138.69 32.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.682 0.277 . . . . 2.14 110.674 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -82.2 115.61 21.37 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.612 -0.514 . . . . 2.19 109.612 175.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 35.0 m -116.01 152.5 17.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 121.041 0.448 . . . . 1.01 110.804 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' THR . . . . . 0.558 ' HB ' HG23 ' B' ' 92' ' ' THR . 31.1 m -88.71 121.78 31.44 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.62 -0.718 . . . . 1.04 109.306 176.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.553 ' HA ' HG22 ' B' ' 91' ' ' THR . 99.0 t -81.31 130.15 36.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 115.79 -0.641 . . . . 1.1 110.984 -175.377 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 77.3 mt -99.88 94.49 6.34 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.45 -0.574 . . . . 1.91 109.45 178.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.525 ' O ' ' HA ' ' B' ' 50' ' ' ARG . . . -60.7 -35.3 75.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.323 0.583 . . . . 2.18 109.637 178.165 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.474 ' HG2' ' HG2' ' B' ' 50' ' ' ARG . 24.0 mt-10 -106.46 115.45 30.23 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.0 -1.0 . . . . 3.59 108.792 175.382 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.523 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 22.6 m -99.79 140.4 19.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.834 0.349 . . . . 2.39 110.972 -175.214 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -112.46 99.29 7.87 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.092 -0.504 . . . . 3.25 109.971 178.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 55.3 mt -105.25 87.21 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.671 -0.492 . . . . 2.77 109.671 178.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 66.82 -78.01 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.654 -0.703 . . . . 3.84 110.956 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -133.36 1.26 3.44 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.429 -0.351 . . . . 4.76 110.641 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 16.0 m -107.44 115.35 30.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.953 0.406 . . . . 3.33 110.331 -177.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.523 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 38.4 t -116.23 125.35 73.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.889 -0.596 . . . . 2.38 110.137 -179.436 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -145.62 165.19 29.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.709 0.29 . . . . 4.13 110.238 176.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.525 ' HA ' ' O ' ' B' ' 40' ' ' ALA . 95.4 mtt180 -105.84 136.73 44.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.103 -0.499 . . . . 4.84 111.237 -177.195 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -110.7 145.25 38.34 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.804 -0.634 . . . . 4.56 109.799 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -119.19 154.26 33.63 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.356 -0.239 . . . . 2.45 110.356 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -121.27 127.59 51.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.281 -0.418 . . . . 1.16 110.804 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -84.89 103.23 13.76 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.216 0.531 . . . . 3.56 110.348 178.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' GLU . . . . . 0.433 ' OE2' HG21 ' B' ' 22' ' ' VAL . 26.8 mt-10 -108.02 113.35 26.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.179 -0.464 . . . . 1.49 110.301 179.137 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' B' ' 19' ' ' SER . 37.9 m -97.07 103.49 15.43 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.554 -0.536 . . . . 1.07 109.554 176.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -103.21 154.13 19.65 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.849 -0.614 . . . . 2.48 110.791 -174.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' CYS . . . . . 0.485 ' SG ' HG23 ' B' ' 82' ' ' THR . 79.8 m -80.7 110.81 16.56 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.684 -0.689 . . . . 1.73 110.828 -179.18 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' ARG . . . . . 0.425 ' HD2' ' HB ' ' B' ' 18' ' ' VAL . 17.2 ptm180 -99.77 17.2 21.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.535 0.684 . . . . 3.49 109.168 174.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -167.14 173.36 9.17 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.722 -1.126 . . . . 2.58 108.766 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' SER . . . . . 0.612 ' HA ' ' SG ' ' B' ' 80' ' ' CYS . 29.1 t -149.08 -31.44 0.24 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.011 0.434 . . . . 2.76 110.468 178.071 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -140.66 76.71 23.65 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 108.857 -0.794 . . . . 2.59 108.857 177.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -51.48 -42.21 56.48 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.48 2.786 . . . . 2.57 113.685 -171.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 5.1 m -83.88 -56.29 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 C-N-CA 120.707 -0.397 . . . . 2.53 111.842 -176.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' GLU . . . . . 0.552 ' HG3' ' H ' ' B' ' 66' ' ' SER . 7.3 pt-20 -168.4 -67.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.72 0.267 . . . . 4.2 111.72 -177.228 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 66' ' ' SER . . . . . 0.552 ' H ' ' HG3' ' B' ' 65' ' ' GLU . 16.7 m -123.96 -9.61 7.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.749 0.309 . . . . 3.9 111.431 -177.079 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -137.05 -170.34 11.88 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.697 -0.763 . . . . 2.6 111.865 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 85.2 m -101.72 71.59 1.32 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.948 0.404 . . . . 1.74 111.385 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 70.79 -72.89 0.1 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.246 -0.888 . . . . 3.95 112.303 171.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.13 -17.35 32.34 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.519 -0.848 . . . . 1.6 112.797 -176.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' ILE . . . . . 0.53 HG21 ' OG ' ' B' ' 78' ' ' SER . 44.3 mm -65.52 124.98 21.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.788 0.294 . . . . 1.65 111.263 -176.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -68.62 106.26 2.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.866 -0.606 . . . . 3.32 109.913 174.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 18.3 p -70.25 -12.51 61.64 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.843 -0.617 . . . . 4.63 112.085 -174.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -81.05 -32.39 34.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.953 0.406 . . . . 3.06 110.538 -178.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -99.18 -30.51 12.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.332 -0.395 . . . . 3.51 110.836 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' TRP . . . . . 0.409 ' CE3' ' HB3' ' B' ' 112' ' ' LEU . 79.5 m95 -127.03 139.95 52.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.271 0.558 . . . . 3.17 111.941 -176.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 77' ' ' ASN . . . . . 0.502 ' HB3' ' HB3' ' B' ' 113' ' ' SER . 4.2 t-20 -93.74 134.6 35.9 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 107.968 -1.123 . . . . 2.7 107.968 169.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.53 ' OG ' HG21 ' B' ' 71' ' ' ILE . 16.1 m -127.23 138.87 53.2 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.147 0.499 . . . . 1.93 111.439 -176.193 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -153.35 141.95 20.86 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.364 -0.835 . . . . 3.73 109.61 172.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.806 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 79.3 m -81.81 123.11 28.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.673 -0.694 . . . . 1.67 110.613 -176.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 31.4 m -129.01 137.99 51.67 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.716 -0.674 . . . . 2.25 109.591 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.485 HG23 ' SG ' ' B' ' 58' ' ' CYS . 12.4 p -84.29 122.13 28.47 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.204 0.525 . . . . 2.78 111.425 -179.237 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 22.4 m -76.46 134.54 39.51 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 108.892 -0.781 . . . . 2.69 108.892 174.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' HIS . . . . . 0.461 ' HA ' ' O ' ' B' ' 104' ' ' ILE . 72.7 m80 -106.35 121.95 45.26 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.684 0.278 . . . . 3.71 110.712 -176.157 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.716 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 3.5 t -109.24 162.17 14.55 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.543 -0.54 . . . . 1.48 109.543 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.479 ' HB3' ' HB3' ' B' ' 101' ' ' PHE . 78.2 m-85 -103.93 117.49 34.45 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.865 -0.42 . . . . 1.75 109.865 -178.425 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 20.2 m -109.3 138.46 36.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.237 0.541 . . . . 1.08 111.473 -176.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 17.2 pttp -69.22 103.22 1.88 Allowed 'General case' 0 C--O 1.238 0.479 0 CA-C-N 114.946 -1.025 . . . . 3.82 110.937 178.176 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.56 138.91 50.4 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.376 -0.829 . . . . 1.13 111.128 -178.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 24.4 tp -73.81 107.64 6.17 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.045 -0.724 . . . . 1.45 109.045 173.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' THR . . . . . 0.553 HG22 ' HA ' ' B' ' 38' ' ' VAL . 76.8 p -131.33 162.94 28.95 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.154 -0.476 . . . . 1.15 109.834 -177.171 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.558 HG23 ' HB ' ' B' ' 37' ' ' THR . 4.9 t -117.52 120.59 38.56 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.267 0.556 . . . . 1.32 110.441 179.194 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -77.48 -10.44 59.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.79 -0.641 . . . . 2.46 110.595 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -162.06 -78.68 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.959 -0.564 . . . . 3.09 109.928 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -142.89 27.19 1.66 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.241 0.543 . . . . 3.3 110.235 178.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -133.38 116.9 16.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.757 -0.656 . . . . 2.74 109.702 -178.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.29 113.89 15.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.999 0.428 . . . . 1.44 110.751 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -131.21 146.23 52.24 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.99 -0.55 . . . . 1.39 110.506 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -76.06 102.53 5.72 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.188 0.518 . . . . 2.35 109.792 178.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 100' ' ' ARG . . . . . 0.432 ' O ' ' HA ' ' B' ' 88' ' ' LYS . 39.2 mmt180 -106.15 177.39 4.87 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.597 -0.728 . . . . 3.48 109.902 -177.451 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.479 ' HB3' ' HB3' ' B' ' 86' ' ' PHE . 74.6 m-85 -119.45 107.72 13.67 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.637 -0.875 . . . . 1.98 108.637 174.457 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 35.7 pt -111.7 143.24 21.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.048 0.452 . . . . 0.86 111.244 -171.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.716 ' HA ' ' O ' ' B' ' 85' ' ' THR . 20.5 ptp180 -82.69 125.33 31.11 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.574 -0.739 . . . . 3.72 111.233 -174.149 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 104' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' B' ' 84' ' ' HIS . 45.9 pt -127.3 154.94 38.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 CA-C-N 115.596 -0.729 . . . . 0.83 110.565 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -67.22 105.07 1.61 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.6 -0.727 . . . . 1.69 109.242 175.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 1.1 m -90.91 -48.33 7.07 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.213 -0.449 . . . . 2.29 111.515 -171.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 107' ' ' ALA . . . . . 0.428 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -148.25 147.44 29.36 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.066 -0.515 . . . . 1.15 110.48 -178.098 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 108' ' ' CYS . . . . . 0.806 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 40.4 t -101.98 109.56 21.32 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.166 -0.679 . . . . 1.56 109.166 177.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 33.2 m -113.7 143.58 23.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.209 -0.45 . . . . 1.08 111.566 -172.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.653 ' SG ' ' HB2' ' B' ' 15' ' ' CYS . 88.5 m -79.98 104.44 10.55 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.95 -0.568 . . . . 1.45 109.527 172.571 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 32.5 m -89.32 147.19 5.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.622 -0.51 . . . . 1.52 109.622 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.409 ' HB3' ' CE3' ' B' ' 76' ' ' TRP . 87.7 mt -101.85 138.96 38.13 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.398 0.618 . . . . 1.67 111.043 -175.225 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.502 ' HB3' ' HB3' ' B' ' 77' ' ' ASN . 13.8 t -128.3 153.6 46.82 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.268 -0.878 . . . . 2.62 109.638 177.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -77.53 8.85 3.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.169 -0.469 . . . . 6.72 111.882 -175.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 115' ' ' LYS . . . . . 0.419 ' HG2' ' HB2' ' B' ' 77' ' ' ASN . 29.9 mtpp 68.35 39.06 2.33 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.262 0.553 . . . . 4.59 110.187 179.495 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -137.5 170.88 15.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.562 -0.745 . . . . 4.5 109.922 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 4.6 p -142.09 -177.44 5.23 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.456 -0.338 . . . . 5.74 110.268 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 118' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 . . . . . 0 C--O 1.244 0.798 0 CA-C-O 118.289 -0.862 . . . . 8.68 110.293 179.822 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.2 t . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 110.117 -0.327 . . . . 13.98 110.117 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 t 65.02 24.02 12.55 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.235 0.541 . . . . 12.75 111.03 176.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.9 p -82.54 137.52 34.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.163 -0.471 . . . . 11.35 110.801 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 -148.57 98.91 3.62 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.258 -0.428 . . . . 10.28 110.779 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -79.57 60.1 7.68 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.516 2.144 . . . . 7.63 111.53 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.8 t 57.62 37.7 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.456 -0.793 . . . . 6.65 109.437 -176.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 55.6 t80 54.14 45.49 27.32 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.067 -0.97 . . . . 7.27 110.265 -177.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 34.9 t60 57.02 40.47 28.63 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.826 -0.625 . . . . 7.72 109.501 -178.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 19.9 ptp 47.25 31.01 1.6 Allowed 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 114.948 -1.023 . . . . 5.34 111.632 -175.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.506 ' HA2' HG11 ' B' ' 111' ' ' VAL . . . -106.22 5.06 38.41 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.926 -0.654 . . . . 3.98 112.77 -177.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -99.63 14.06 31.35 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 121.006 -0.277 . . . . 4.63 111.273 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.479 ' HB2' ' HB ' ' B' ' 111' ' ' VAL . 63.6 m-85 -88.84 147.89 24.17 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.352 -0.61 . . . . 3.65 109.352 176.013 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.4 m -139.49 129.86 25.5 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.773 0.32 . . . . 2.42 111.174 -176.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.3 m -74.71 -18.23 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-O 121.143 0.497 . . . . 1.41 110.618 174.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 68.5 m -127.21 133.09 50.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.342 -0.845 . . . . 1.75 109.585 177.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -67.13 115.63 7.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.763 0.316 . . . . 2.87 110.18 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.5 p -125.49 154.33 42.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.147 0.498 . . . . 1.72 111.778 -174.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.512 ' HB ' ' NE ' ' A' ' 59' ' ' ARG . 3.7 p -122.25 115.69 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.485 -0.78 . . . . 1.51 110.212 179.28 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 11.2 t -103.04 117.14 33.92 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.668 -0.493 . . . . 1.66 109.668 179.465 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.2 t -119.46 138.41 50.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.423 -0.353 . . . . 1.03 110.925 -176.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 85.3 m95 -101.77 95.5 6.45 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.36 -0.978 . . . . 1.61 108.36 171.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.433 HG12 ' H ' ' A' ' 24' ' ' ASP . 43.6 t -80.4 111.32 16.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.363 -0.835 . . . . 0.96 110.811 -173.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.99 11.7 71.52 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.629 -0.796 . . . . 1.27 112.241 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.433 ' H ' HG12 ' A' ' 22' ' ' VAL . 37.8 t70 -156.88 59.68 0.53 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.192 0.52 . . . . 3.02 110.883 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -80.69 130.33 35.03 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.891 -0.781 . . . . 1.32 108.891 175.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 t -101.45 -30.78 11.24 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.563 0.579 . . . . 1.82 112.563 -170.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.79 145.79 30.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.827 0.346 . . . . 1.01 111.588 -179.366 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.81 167.81 27.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.909 -0.587 . . . . 0.79 110.481 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 34' ' ' LYS . 25.5 m -100.05 119.74 38.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.812 -0.631 . . . . 1.02 110.527 178.58 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.447 ' CG ' HH21 ' A' ' 100' ' ' ARG . 17.8 t70 -69.18 158.64 34.52 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.348 -0.842 . . . . 1.85 110.023 177.452 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.9 tt -61.17 -21.32 24.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-N 116.053 -0.521 . . . . 1.33 111.828 -176.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.47 ' HD2' ' NH2' ' A' ' 100' ' ' ARG . 96.9 mttt -84.79 -5.3 59.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.893 0.377 . . . . 2.22 110.655 178.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.44 27.4 13.24 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.84 -0.695 . . . . 1.25 112.24 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 29' ' ' THR . 75.2 mmtt -102.12 155.35 18.25 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.739 0.304 . . . . 2.14 110.549 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -102.44 115.62 30.93 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.925 -0.769 . . . . 2.19 108.925 174.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.2 m -124.98 151.34 30.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.132 0.492 . . . . 1.02 111.65 -174.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.415 ' HB ' ' CG2' ' A' ' 92' ' ' THR . 46.4 m -81.61 119.79 24.25 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.239 -0.891 . . . . 1.04 109.704 177.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.499 ' HA ' HG22 ' A' ' 91' ' ' THR . 54.3 t -86.24 136.19 23.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 116.223 -0.444 . . . . 1.1 110.772 -175.133 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.1 mt -109.12 107.82 18.26 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.135 -0.691 . . . . 1.91 109.135 175.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.6 -25.83 65.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.493 0.663 . . . . 2.18 110.123 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.477 ' HG2' ' HB3' ' A' ' 50' ' ' ARG . 30.5 mt-10 -106.81 114.69 28.94 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 114.993 -1.003 . . . . 3.59 108.424 174.004 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 49' ' ' PHE . 19.5 m -90.68 123.3 42.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.225 0.536 . . . . 2.4 110.395 -176.485 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -93.55 107.09 18.99 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.576 0.703 . . . . 3.25 109.793 178.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 59.5 mt -103.42 76.59 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.283 -0.636 . . . . 2.77 109.283 177.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 65.28 -81.86 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.044 -0.98 . . . . 3.84 111.293 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -125.27 29.54 6.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.821 0.344 . . . . 4.76 110.836 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.7 m -147.04 115.34 6.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.801 0.334 . . . . 3.33 110.434 178.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.1 t -102.03 121.39 52.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.239 -0.437 . . . . 2.37 110.765 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.42 ' O ' HG22 ' A' ' 42' ' ' VAL . 78.2 m-85 -120.28 126.88 51.68 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.009 -0.542 . . . . 4.13 110.001 178.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.477 ' HB3' ' HG2' ' A' ' 41' ' ' GLU . 8.4 ptp180 -104.13 141.51 36.1 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.885 0.374 . . . . 4.84 110.821 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -133.66 174.35 10.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.98 -0.554 . . . . 4.56 109.817 177.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -121.04 136.23 55.03 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.132 -0.692 . . . . 2.46 109.132 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -94.82 121.58 36.56 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.781 0.324 . . . . 1.16 110.6 -177.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -83.93 107.07 16.08 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.473 0.654 . . . . 3.56 110.934 -177.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -115.26 112.24 22.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.724 -0.671 . . . . 1.49 109.683 177.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 19' ' ' SER . 24.6 m -105.66 104.61 14.37 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.228 0.537 . . . . 1.07 110.079 178.432 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -102.52 169.84 8.41 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.66 -0.7 . . . . 2.48 109.565 -176.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.416 ' HB2' HG23 ' A' ' 82' ' ' THR . 1.7 t -108.52 112.35 24.68 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.982 0.42 . . . . 1.73 110.264 -178.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.512 ' NE ' ' HB ' ' A' ' 18' ' ' VAL . 88.5 mtt180 -68.35 -38.55 81.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.687 -0.688 . . . . 3.48 110.396 -179.636 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -121.54 105.5 10.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.924 -0.58 . . . . 2.58 110.521 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.447 ' HA ' ' HB2' ' A' ' 80' ' ' CYS . 6.1 p -71.8 -28.39 63.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.969 -0.56 . . . . 2.76 110.23 178.128 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -139.0 74.39 37.12 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.434 -0.803 . . . . 2.59 109.754 176.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -55.9 -36.13 95.14 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.486 2.124 . . . . 2.57 112.489 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.4 m -119.09 162.02 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.538 -0.542 . . . . 2.53 109.538 176.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -76.6 51.43 0.74 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.309 0.576 . . . . 4.19 111.147 -177.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.9 m -161.11 -26.56 0.06 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.19 -0.914 . . . . 3.9 109.165 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.471 ' HA3' ' HB3' ' A' ' 78' ' ' SER . . . 138.42 -115.23 1.14 Allowed Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 110.875 -0.89 . . . . 2.6 110.875 -177.275 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.43 ' SG ' HG12 ' A' ' 71' ' ' ILE . 13.9 p -90.56 149.29 22.21 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.294 -0.632 . . . . 1.73 109.294 176.037 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -66.86 118.37 10.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.409 -0.36 . . . . 3.94 111.647 -173.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.33 -28.19 4.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.639 -0.791 . . . . 1.61 112.613 176.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.43 HG12 ' SG ' ' A' ' 68' ' ' CYS . 48.5 mm -70.53 143.02 15.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.852 0.358 . . . . 1.65 111.623 -176.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -74.59 122.29 22.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.073 -0.512 . . . . 3.32 110.344 176.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.1 m -70.25 -19.72 63.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.728 -0.669 . . . . 4.63 112.547 -173.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -89.25 -43.32 11.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.629 0.252 . . . . 3.06 111.398 -174.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -89.15 -26.95 21.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.534 -0.303 . . . . 3.51 111.782 -176.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -133.19 154.93 50.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.485 0.66 . . . . 3.17 111.528 -175.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -122.1 134.32 54.76 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 107.843 -1.169 . . . . 2.69 107.843 168.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.471 ' HB3' ' HA3' ' A' ' 67' ' ' GLY . 16.1 t -121.04 158.63 27.39 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.139 0.495 . . . . 1.93 111.656 -170.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.549 ' O ' HG22 ' A' ' 111' ' ' VAL . 74.9 t80 -155.35 136.62 13.97 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.981 -0.748 . . . . 3.73 108.981 177.334 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.828 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 61.4 m -91.18 111.39 22.85 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.972 0.415 . . . . 1.67 110.073 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.512 ' HG1' ' HD1' ' A' ' 79' ' ' TYR . 24.6 m -114.08 134.83 54.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.934 -0.576 . . . . 2.24 111.037 -173.251 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.416 HG23 ' HB2' ' A' ' 58' ' ' CYS . 0.7 OUTLIER -81.62 122.05 27.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.014 0.435 . . . . 2.78 111.638 176.629 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.3 p -78.59 157.27 28.78 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.945 -0.571 . . . . 2.69 109.711 173.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -131.16 134.3 46.39 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.943 0.402 . . . . 3.71 110.767 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.679 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 13.7 t -121.78 168.23 12.07 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.686 -0.487 . . . . 1.48 109.686 -179.067 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.462 ' CE1' ' HB3' ' A' ' 103' ' ' ARG . 95.7 m-85 -115.16 117.63 31.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.891 0.377 . . . . 1.75 110.633 -175.357 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.2 m -111.88 145.34 18.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.003 -0.544 . . . . 1.08 110.902 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 88' ' ' LYS . 11.4 pttm -79.12 111.82 15.71 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.489 0.661 . . . . 3.82 110.677 177.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.96 149.53 50.77 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.537 -0.756 . . . . 1.13 110.197 177.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.9 tp -76.49 108.38 9.43 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.391 -0.966 . . . . 1.45 108.391 174.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.499 HG22 ' HA ' ' A' ' 38' ' ' VAL . 61.5 p -125.55 159.29 32.44 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.506 -0.316 . . . . 1.14 110.211 -175.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.415 ' CG2' ' HB ' ' A' ' 37' ' ' THR . 9.8 t -125.87 126.31 44.24 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.181 0.515 . . . . 1.32 110.305 177.3 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -79.6 -17.85 52.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.865 -0.607 . . . . 2.47 110.757 179.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -164.91 -57.94 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.518 -0.31 . . . . 3.09 111.587 173.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -127.99 -51.9 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 122.155 -0.34 . . . . 3.29 111.747 -176.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -77.67 134.9 38.05 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.458 -0.337 . . . . 2.74 110.908 -177.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -92.32 129.88 38.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.499 -0.319 . . . . 1.44 110.177 176.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.08 153.25 42.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.818 0.342 . . . . 1.38 110.994 -177.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -75.32 110.12 9.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.171 -0.468 . . . . 2.35 110.289 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.47 ' NH2' ' HD2' ' A' ' 32' ' ' LYS . 11.7 mmm180 -123.74 156.57 35.76 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.055 -0.52 . . . . 3.48 110.257 -177.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.417 ' HB3' ' HB3' ' A' ' 86' ' ' PHE . 92.9 m-85 -94.53 114.29 26.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.011 -0.54 . . . . 1.98 109.717 176.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 36.7 pt -113.6 147.2 17.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.79 0.329 . . . . 0.86 110.769 -176.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.679 ' HA ' ' O ' ' A' ' 85' ' ' THR . 39.8 ptt180 -87.77 129.95 35.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.334 0.587 . . . . 3.71 111.264 -176.737 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 30.0 pt -129.68 154.71 40.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.339 -0.846 . . . . 0.83 109.991 176.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -65.88 123.7 20.5 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 121.102 0.477 . . . . 1.69 110.049 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.429 HG22 HG22 ' B' ' 106' ' ' THR . 2.0 m -94.16 -56.48 2.83 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.624 -0.717 . . . . 2.29 111.154 -172.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -163.38 157.94 20.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.234 -0.439 . . . . 1.14 110.485 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.828 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 50.8 t -96.3 119.31 34.55 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.763 -0.458 . . . . 1.56 109.763 177.161 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' A' ' 80' ' ' CYS . 19.2 m -108.08 152.07 10.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.024 -0.535 . . . . 1.07 110.889 -175.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 36.6 t -95.04 110.4 22.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.068 -0.515 . . . . 1.45 109.643 176.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 79' ' ' TYR . 15.8 m -93.94 153.49 3.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.553 -0.294 . . . . 1.52 110.218 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.7 mt -127.61 139.21 52.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.314 0.578 . . . . 1.67 111.614 -178.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.1 p -127.03 142.78 51.46 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.12 -0.946 . . . . 2.62 108.467 172.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.444 ' HD2' ' O ' ' A' ' 115' ' ' LYS . 7.9 ppt_? -81.7 7.34 12.7 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.946 0.351 . . . . 6.73 111.946 -172.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.444 ' O ' ' HD2' ' A' ' 114' ' ' ARG . 56.5 mtpt 69.58 -178.01 0.22 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.157 0.583 . . . . 4.59 111.678 174.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 69.22 -75.73 0.07 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.388 -0.824 . . . . 4.5 111.79 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.45 172.28 12.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.91 0.386 . . . . 5.74 110.991 -177.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.712 -0.661 . . . . 8.67 109.88 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 27.2 t . . . . . 0 N--CA 1.476 0.837 0 N-CA-C 109.947 -0.39 . . . . 13.98 109.947 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 11.9 t 65.38 24.07 12.03 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.026 0.531 . . . . 12.76 110.891 177.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 11.4 p -82.56 137.13 34.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.337 -0.392 . . . . 11.36 110.833 -179.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 24.8 p-80 -148.25 99.03 3.69 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 120.996 0.426 . . . . 10.29 110.937 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -79.7 60.52 7.85 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.522 2.148 . . . . 7.63 111.441 178.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 8.4 t 57.51 37.31 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.474 -0.785 . . . . 6.65 109.427 -176.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 55.7 t80 54.32 45.54 27.01 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 114.985 -1.007 . . . . 7.27 110.247 -177.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 34.8 t60 57.29 40.47 27.74 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.869 -0.605 . . . . 7.72 109.525 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 19.7 ptp 47.1 30.83 1.43 Allowed 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.367 1.067 . . . . 5.34 111.813 -174.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.471 ' HA2' HG11 ' A' ' 111' ' ' VAL . . . -106.34 5.38 38.34 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.883 -0.675 . . . . 3.98 112.763 -177.542 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -99.96 14.71 29.57 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.965 0.412 . . . . 4.62 111.246 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' PHE . . . . . 0.467 ' HB2' ' HB ' ' A' ' 111' ' ' VAL . 63.4 m-85 -88.95 148.06 23.99 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.393 -0.595 . . . . 3.65 109.393 175.646 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 44.1 m -139.89 129.7 24.63 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.762 0.315 . . . . 2.42 111.048 -176.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.1 m -74.64 -18.23 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 121.152 0.501 . . . . 1.41 110.545 174.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 68.7 m -127.24 132.98 50.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.406 -0.816 . . . . 1.75 109.626 177.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -66.98 115.69 6.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.858 0.361 . . . . 2.87 110.182 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.6 p -125.43 154.5 41.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.123 0.487 . . . . 1.72 111.742 -174.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.504 ' HB ' ' NE ' ' B' ' 59' ' ' ARG . 3.7 p -122.41 115.86 47.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.518 -0.765 . . . . 1.51 110.174 179.155 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 11.7 t -103.33 116.69 32.92 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.715 -0.476 . . . . 1.66 109.715 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 58.3 t -119.24 138.33 50.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.293 -0.412 . . . . 1.03 110.912 -176.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -101.79 95.18 6.24 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.569 -0.9 . . . . 1.61 108.569 171.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.416 HG12 ' H ' ' B' ' 24' ' ' ASP . 44.1 t -80.13 111.14 16.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.271 -0.877 . . . . 0.96 110.678 -173.307 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.31 10.64 73.87 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.693 -0.765 . . . . 1.27 112.346 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.416 ' H ' HG12 ' B' ' 22' ' ' VAL . 37.3 t70 -156.19 59.79 0.58 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.191 0.519 . . . . 3.01 110.727 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -81.02 129.99 34.8 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.888 -0.782 . . . . 1.32 108.888 175.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -100.97 -30.67 11.51 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.674 0.62 . . . . 1.82 112.674 -170.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -146.12 145.8 30.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.836 0.35 . . . . 1.0 111.503 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.76 167.52 27.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.896 -0.593 . . . . 0.79 110.611 177.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' B' ' 34' ' ' LYS . 27.3 m -99.68 119.72 38.56 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.974 -0.557 . . . . 1.01 110.606 178.509 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ASP . . . . . 0.44 ' CG ' HH21 ' B' ' 100' ' ' ARG . 17.7 t70 -69.06 158.81 34.07 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.375 -0.829 . . . . 1.84 110.038 177.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.8 tt -61.44 -20.89 23.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 116.089 -0.505 . . . . 1.33 111.946 -176.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.469 ' HD2' ' NH2' ' B' ' 100' ' ' ARG . 97.0 mttt -85.09 -5.28 59.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.922 0.391 . . . . 2.22 110.795 178.616 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.38 27.66 12.89 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.95 -0.643 . . . . 1.25 112.198 178.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' B' ' 29' ' ' THR . 75.3 mmtt -102.57 154.76 18.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.666 0.269 . . . . 2.14 110.568 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -101.62 116.31 32.46 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.845 -0.798 . . . . 2.19 108.845 174.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 24.8 m -125.39 151.48 31.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.198 0.523 . . . . 1.01 111.512 -174.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' THR . . . . . 0.433 ' HB ' ' CG2' ' B' ' 92' ' ' THR . 41.7 m -81.87 119.79 24.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.221 -0.899 . . . . 1.04 109.636 176.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.506 ' HA ' HG22 ' B' ' 91' ' ' THR . 54.5 t -86.22 136.55 22.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 116.224 -0.444 . . . . 1.1 110.689 -175.21 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 56.9 mt -109.39 108.09 18.5 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.225 -0.657 . . . . 1.91 109.225 175.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.95 -25.94 65.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.36 0.6 . . . . 2.18 110.056 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.459 ' HG2' ' HB3' ' B' ' 50' ' ' ARG . 30.4 mt-10 -106.74 114.59 28.78 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 114.909 -1.041 . . . . 3.59 108.685 173.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.415 HG22 ' O ' ' B' ' 49' ' ' PHE . 19.4 m -90.63 123.29 42.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.334 0.588 . . . . 2.39 110.304 -176.305 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -93.59 107.41 19.27 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.481 0.658 . . . . 3.25 109.81 178.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 59.7 mt -103.62 76.59 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.437 -0.579 . . . . 2.77 109.437 177.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 65.4 -82.23 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 114.941 -1.027 . . . . 3.84 111.084 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -124.82 29.57 6.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.707 0.289 . . . . 4.76 110.993 -178.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 22.0 m -147.06 115.38 6.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.796 0.332 . . . . 3.33 110.36 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 61.3 t -101.99 121.71 53.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.979 0.419 . . . . 2.38 110.75 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' PHE . . . . . 0.415 ' O ' HG22 ' B' ' 42' ' ' VAL . 78.4 m-85 -120.45 126.72 51.14 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.985 -0.552 . . . . 4.13 110.048 178.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.459 ' HB3' ' HG2' ' B' ' 41' ' ' GLU . 8.5 ptp180 -104.13 141.0 37.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.912 0.387 . . . . 4.84 110.918 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 -133.09 174.36 10.45 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.975 -0.557 . . . . 4.56 109.784 177.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -120.98 136.26 55.02 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.22 -0.659 . . . . 2.45 109.22 178.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -94.9 121.59 36.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.724 0.297 . . . . 1.16 110.573 -177.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' PHE . . . . . 0.401 ' O ' HD12 ' B' ' 104' ' ' ILE . 13.6 p90 -83.97 107.1 16.14 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.392 0.615 . . . . 3.56 110.985 -177.184 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -115.35 112.33 22.2 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.775 -0.648 . . . . 1.49 109.621 177.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.424 ' HA ' ' HA ' ' B' ' 19' ' ' SER . 24.5 m -105.59 104.59 14.34 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.262 0.554 . . . . 1.07 110.097 178.412 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -102.54 169.99 8.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.657 -0.702 . . . . 2.48 109.657 -176.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' CYS . . . . . 0.417 ' HB2' HG23 ' B' ' 82' ' ' THR . 1.8 t -108.86 111.97 23.98 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.061 0.458 . . . . 1.73 110.249 -178.655 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 59' ' ' ARG . . . . . 0.504 ' NE ' ' HB ' ' B' ' 18' ' ' VAL . 88.7 mtt180 -68.05 -38.76 82.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.591 -0.732 . . . . 3.49 110.408 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -121.42 105.37 10.44 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.047 -0.524 . . . . 2.58 110.524 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' SER . . . . . 0.44 ' HA ' ' HB2' ' B' ' 80' ' ' CYS . 5.4 p -71.67 -28.25 63.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.024 -0.534 . . . . 2.76 110.352 178.266 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -139.15 74.7 35.72 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.517 -0.765 . . . . 2.59 109.526 176.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -55.94 -36.41 95.71 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.623 2.216 . . . . 2.57 112.338 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 35.7 m -119.02 162.2 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.688 -0.486 . . . . 2.53 109.688 176.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -76.93 51.25 0.78 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.351 0.596 . . . . 4.2 110.99 -177.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 19.6 m -160.88 -26.43 0.06 Allowed 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.191 -0.913 . . . . 3.9 109.183 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.466 ' HA3' ' HB3' ' B' ' 78' ' ' SER . . . 138.17 -115.36 1.17 Allowed Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.892 -0.883 . . . . 2.6 110.892 -177.138 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.443 ' SG ' HG12 ' B' ' 71' ' ' ILE . 14.1 p -90.66 149.59 22.02 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.158 -0.682 . . . . 1.74 109.158 176.081 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -67.14 118.42 10.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.286 -0.415 . . . . 3.95 111.539 -173.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.17 -28.23 4.12 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 1.6 112.619 176.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' ILE . . . . . 0.443 HG12 ' SG ' ' B' ' 68' ' ' CYS . 48.3 mm -70.47 142.53 15.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.752 0.31 . . . . 1.65 111.673 -176.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -74.18 122.33 22.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.067 -0.515 . . . . 3.32 110.399 176.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 3.1 m -70.12 -20.16 63.19 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.71 -0.677 . . . . 4.63 112.37 -173.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -89.16 -43.11 11.27 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 121.141 -0.224 . . . . 3.06 111.378 -174.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -89.21 -27.15 20.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.55 -0.296 . . . . 3.51 111.615 -176.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -133.17 154.78 50.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.462 0.649 . . . . 3.17 111.47 -174.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -121.93 134.32 54.84 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.92 -1.141 . . . . 2.7 107.92 168.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.466 ' HB3' ' HA3' ' B' ' 67' ' ' GLY . 16.5 t -121.11 158.74 27.24 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.277 0.561 . . . . 1.93 111.623 -170.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 79' ' ' TYR . . . . . 0.54 ' O ' HG22 ' B' ' 111' ' ' VAL . 73.7 t80 -155.47 136.52 13.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.343 -0.844 . . . . 3.73 109.153 177.294 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.83 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 61.4 m -91.29 110.93 22.23 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.014 0.435 . . . . 1.67 110.11 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.438 ' HG1' ' HD1' ' B' ' 79' ' ' TYR . 24.2 m -113.56 135.16 54.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.873 -0.603 . . . . 2.25 111.065 -173.217 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.417 HG23 ' HB2' ' B' ' 58' ' ' CYS . 0.8 OUTLIER -81.63 122.06 27.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.022 0.439 . . . . 2.78 111.834 176.34 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 11.3 p -78.51 157.36 28.88 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.913 -0.585 . . . . 2.69 109.727 173.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -131.48 134.47 46.19 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.892 0.377 . . . . 3.71 110.737 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.675 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 13.5 t -121.94 168.2 12.17 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.999 -0.546 . . . . 1.48 109.746 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.464 ' CE1' ' HB3' ' B' ' 103' ' ' ARG . 95.7 m-85 -115.16 117.62 31.03 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.878 0.371 . . . . 1.75 110.732 -175.421 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 19.2 m -111.83 145.22 18.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.977 -0.556 . . . . 1.08 110.964 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' LYS . . . . . 0.415 ' O ' ' HG3' ' B' ' 88' ' ' LYS . 11.4 pttm -79.03 111.76 15.56 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.552 0.691 . . . . 3.82 110.706 177.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.03 149.53 50.81 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.523 -0.762 . . . . 1.13 110.053 177.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 18.8 tp -76.49 108.45 9.47 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.362 -0.977 . . . . 1.45 108.362 174.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' THR . . . . . 0.506 HG22 ' HA ' ' B' ' 38' ' ' VAL . 60.3 p -125.57 159.16 32.79 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 116.399 -0.364 . . . . 1.15 110.189 -175.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.433 ' CG2' ' HB ' ' B' ' 37' ' ' THR . 10.1 t -125.85 125.99 43.75 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-O 121.379 0.609 . . . . 1.32 110.341 177.271 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -79.3 -17.97 53.56 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.871 -0.604 . . . . 2.46 110.865 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -164.57 -58.54 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.592 -0.276 . . . . 3.09 111.499 173.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -127.59 -51.57 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 122.184 -0.322 . . . . 3.3 111.748 -176.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -77.81 135.18 37.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.62 -0.264 . . . . 2.74 110.763 -177.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -92.71 129.78 38.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.439 -0.346 . . . . 1.44 110.069 176.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.17 152.99 42.4 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.438 -0.346 . . . . 1.39 110.976 -176.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -75.07 109.85 8.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.196 -0.457 . . . . 2.35 110.422 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 100' ' ' ARG . . . . . 0.469 ' NH2' ' HD2' ' B' ' 32' ' ' LYS . 11.6 mmm180 -123.62 156.29 36.09 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.913 -0.585 . . . . 3.48 110.307 -177.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.438 ' HB3' ' HB3' ' B' ' 86' ' ' PHE . 93.0 m-85 -94.23 114.28 26.35 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.997 -0.547 . . . . 1.98 109.76 176.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 102' ' ' ILE . . . . . 0.438 ' O ' ' HA ' ' B' ' 86' ' ' PHE . 36.3 pt -113.57 147.32 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.745 0.307 . . . . 0.86 110.826 -176.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.675 ' HA ' ' O ' ' B' ' 85' ' ' THR . 39.8 ptt180 -87.99 129.46 35.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.426 0.632 . . . . 3.72 111.449 -176.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 104' ' ' ILE . . . . . 0.401 HD12 ' O ' ' B' ' 54' ' ' PHE . 30.5 pt -129.13 154.71 40.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.271 -0.877 . . . . 0.83 110.035 176.534 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -66.01 123.69 20.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.18 0.514 . . . . 1.69 110.083 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 106' ' ' THR . . . . . 0.429 HG22 HG22 ' A' ' 106' ' ' THR . 2.1 m -94.26 -56.4 2.85 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.695 -0.684 . . . . 2.29 111.138 -172.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -163.27 158.15 21.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.32 -0.4 . . . . 1.15 110.507 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' CYS . . . . . 0.83 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 51.0 t -96.46 119.26 34.62 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.804 -0.443 . . . . 1.56 109.804 177.037 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' B' ' 80' ' ' CYS . 19.0 m -108.08 151.96 10.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.988 -0.551 . . . . 1.08 110.9 -175.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 36.3 t -94.98 110.31 22.23 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.96 -0.563 . . . . 1.45 109.613 176.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.54 HG22 ' O ' ' B' ' 79' ' ' TYR . 15.6 m -93.96 153.44 3.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 110.187 -0.301 . . . . 1.52 110.187 179.725 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 61.3 mt -127.59 139.21 52.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.272 0.558 . . . . 1.67 111.666 -178.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 13.2 p -127.1 142.96 51.39 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.183 -0.917 . . . . 2.62 108.543 171.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 114' ' ' ARG . . . . . 0.44 ' HD2' ' O ' ' B' ' 115' ' ' LYS . 7.8 ppt_? -81.48 7.43 11.95 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.133 0.42 . . . . 6.72 112.133 -173.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 115' ' ' LYS . . . . . 0.44 ' O ' ' HD2' ' B' ' 114' ' ' ARG . 56.7 mtpt 69.57 -178.05 0.22 Allowed 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.222 0.609 . . . . 4.59 111.643 174.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . 69.24 -75.93 0.06 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.449 -0.796 . . . . 4.5 111.855 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.33 172.06 13.2 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.778 0.323 . . . . 5.74 110.846 -177.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.508 -0.758 . . . . 8.68 109.76 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.478 0.969 0 CA-C-O 121.151 0.5 . . . . 13.98 109.955 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.6 p -136.56 8.64 3.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.056 -0.52 . . . . 12.75 110.668 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.2 p -89.48 95.37 10.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.059 -0.519 . . . . 11.35 110.932 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -136.36 105.03 9.32 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.001 -0.545 . . . . 10.28 110.875 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -78.51 63.23 8.42 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.668 2.245 . . . . 7.63 111.837 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.0 t 57.31 33.24 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 115.628 -0.714 . . . . 6.65 109.786 -178.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 52.84 39.32 28.75 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.52 -0.764 . . . . 7.27 111.129 -176.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 65.48 14.54 9.53 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.798 -0.637 . . . . 7.72 110.175 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 21.9 ptp 41.24 40.85 1.26 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.301 1.04 . . . . 5.34 111.317 -174.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.451 ' HA2' HG11 ' B' ' 111' ' ' VAL . . . -157.92 -32.48 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.01 -0.995 . . . . 3.98 111.782 -177.346 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -87.44 71.76 9.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.151 0.501 . . . . 4.63 110.131 -178.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -127.7 165.3 20.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.065 -0.516 . . . . 3.65 111.269 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.2 t -150.58 144.1 25.07 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.753 -0.832 . . . . 2.42 108.753 173.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.676 HG23 ' SG ' ' A' ' 110' ' ' CYS . 15.9 m -88.72 5.83 4.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.112 0.482 . . . . 1.41 111.093 -178.125 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.538 ' HB2' ' SG ' ' A' ' 110' ' ' CYS . 34.3 t -143.94 152.2 40.78 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.57 -0.741 . . . . 1.75 109.46 176.643 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.61 114.48 3.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.992 0.425 . . . . 2.87 110.733 -178.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.0 m -126.44 152.03 46.95 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.004 -0.544 . . . . 1.72 110.39 -176.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.503 ' HB ' ' NE ' ' A' ' 59' ' ' ARG . 7.4 p -129.19 120.3 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.427 -0.351 . . . . 1.51 110.43 174.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.414 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 50.0 m -97.82 111.72 23.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.959 0.409 . . . . 1.66 110.286 179.173 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.3 t -119.45 138.1 51.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.133 -0.485 . . . . 1.03 110.849 -177.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -95.88 95.23 8.11 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.592 -0.892 . . . . 1.61 108.592 171.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.9 t -80.29 120.41 31.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.639 -0.709 . . . . 0.96 110.301 -175.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.504 ' HA2' ' O ' ' A' ' 51' ' ' GLN . . . -115.08 17.74 16.88 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.815 -0.707 . . . . 1.27 111.925 179.06 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -140.31 36.6 1.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 3.02 111.091 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.4 tttp -73.95 129.64 38.28 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.227 -0.657 . . . . 1.32 109.227 178.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.6 p -101.03 -38.19 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.547 0.573 . . . . 1.82 112.547 -172.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.97 139.31 30.6 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.776 0.322 . . . . 1.01 111.136 -178.475 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.22 163.84 35.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.011 -0.54 . . . . 0.79 110.866 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.3 m -96.49 122.64 39.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.063 -0.517 . . . . 1.02 110.621 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -72.45 165.51 24.45 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.879 -0.6 . . . . 1.85 110.022 176.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.1 tt -59.77 -26.93 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.81 0.338 . . . . 1.33 111.119 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -80.48 -3.59 50.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.426 -0.352 . . . . 2.22 111.025 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.72 10.49 60.18 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.99 -0.624 . . . . 1.25 112.385 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -86.54 137.07 32.81 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.741 0.305 . . . . 2.14 111.283 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -85.04 114.16 21.99 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.742 -0.836 . . . . 2.19 108.742 172.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.0 m -120.6 152.94 23.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 116.199 -0.455 . . . . 1.02 111.156 -176.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.481 ' HB ' ' CG2' ' A' ' 92' ' ' THR . 18.7 m -87.53 114.9 24.57 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.399 -0.819 . . . . 1.04 110.228 -178.129 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.492 ' HA ' HG22 ' A' ' 91' ' ' THR . 53.8 t -81.1 137.23 21.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 116.015 -0.539 . . . . 1.1 110.209 -177.552 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.5 mt -99.2 113.1 25.18 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.362 -0.607 . . . . 1.91 109.362 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.544 ' O ' ' HA ' ' A' ' 50' ' ' ARG . . . -65.61 -36.36 83.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.307 0.575 . . . . 2.18 109.742 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -114.68 114.59 25.86 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.989 -1.005 . . . . 3.59 108.702 176.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.618 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 34.3 m -104.1 132.11 51.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.988 0.423 . . . . 2.4 111.394 -175.581 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -95.7 99.17 11.05 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.969 -0.559 . . . . 3.25 109.708 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.6 mt -115.45 100.13 9.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.284 -0.417 . . . . 2.77 110.076 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 57.71 50.32 10.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.419 0.628 . . . . 3.84 110.021 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 63.8 20.77 12.38 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.197 -0.91 . . . . 4.76 111.855 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.4 t -119.11 121.47 39.86 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.801 -0.814 . . . . 3.33 108.801 175.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.618 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 46.8 t -103.48 109.9 28.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.092 0.472 . . . . 2.37 111.313 -175.185 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.443 ' O ' HG22 ' A' ' 42' ' ' VAL . 63.9 m-85 -109.85 149.57 29.66 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.944 -0.571 . . . . 4.13 109.902 175.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.544 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 20.4 ttm180 -97.78 136.81 37.58 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.944 0.402 . . . . 4.84 110.148 177.252 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.504 ' O ' ' HA2' ' A' ' 23' ' ' GLY . 85.8 mm-40 -85.94 108.75 18.33 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.675 -0.693 . . . . 4.56 111.329 -176.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -93.65 123.49 37.01 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.557 -0.534 . . . . 2.46 109.557 175.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -114.07 124.48 52.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.72 0.295 . . . . 1.16 110.576 178.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.414 ' CE2' ' HB3' ' A' ' 19' ' ' SER . 84.4 t80 -84.57 97.05 9.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.101 -0.5 . . . . 3.56 110.245 -178.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.501 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 39.8 mt-10 -106.31 110.0 22.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.076 -0.511 . . . . 1.49 110.608 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 52.5 m -96.43 98.45 10.26 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.941 -0.763 . . . . 1.07 108.941 172.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.427 ' HA ' HG21 ' A' ' 82' ' ' THR . 23.4 mtpp -103.43 153.64 20.28 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.423 -0.808 . . . . 2.48 110.659 -169.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.644 ' SG ' HG23 ' A' ' 82' ' ' THR . 75.6 m -74.8 109.82 8.58 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.091 -0.504 . . . . 1.73 110.573 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.503 ' NE ' ' HB ' ' A' ' 18' ' ' VAL . 66.1 mtt180 -67.75 -50.6 56.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.179 -0.464 . . . . 3.48 110.372 176.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -148.02 96.5 2.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.701 -0.681 . . . . 2.58 110.394 -178.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.1 p -66.48 140.64 58.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.979 -0.555 . . . . 2.76 110.569 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.692 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 92.9 m-20 68.31 70.94 0.41 Allowed Pre-proline 0 N--CA 1.465 0.311 0 O-C-N 123.609 0.568 . . . . 2.59 110.905 -178.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -62.55 -27.44 76.63 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.388 2.059 . . . . 2.57 111.692 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.7 m -112.32 163.59 9.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.893 -0.594 . . . . 2.53 109.495 176.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -80.45 58.37 3.14 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.954 0.407 . . . . 4.19 111.357 -175.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.5 p -170.12 -66.56 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.67 -0.695 . . . . 3.9 109.98 179.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.692 ' O ' ' HA ' ' A' ' 62' ' ' ASN . . . -151.78 -84.43 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.859 -0.609 . . . . 2.6 112.138 179.236 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 74.1 m -140.44 173.4 11.54 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.676 0.274 . . . . 1.73 111.045 -178.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 69' ' ' ARG . 44.2 mtt180 -72.92 136.26 45.19 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.848 -0.427 . . . . 3.94 109.848 -178.118 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.49 -46.2 3.46 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.822 -0.704 . . . . 1.61 112.028 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.675 HG22 ' H ' ' A' ' 72' ' ' ASP . 9.8 mm -76.14 178.9 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.574 -0.528 . . . . 1.65 109.574 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.675 ' H ' HG22 ' A' ' 71' ' ' ILE . 15.1 m-20 69.26 70.11 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.341 0.591 . . . . 3.32 111.055 173.336 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.3 m -117.56 -66.85 1.04 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.66 -0.7 . . . . 4.63 110.471 178.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -126.61 -60.99 1.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.076 0.398 . . . . 3.06 112.076 -175.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -113.14 5.58 17.13 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.489 0.552 . . . . 3.51 112.489 -172.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.509 ' O ' ' HA ' ' A' ' 72' ' ' ASP . 74.6 m95 -123.21 137.66 54.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.162 0.506 . . . . 3.17 111.411 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.437 ' HA ' ' OD1' ' A' ' 72' ' ' ASP . 6.4 t30 -124.79 134.89 52.61 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.015 -0.993 . . . . 2.69 108.324 174.031 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.484 ' OG ' ' HB3' ' A' ' 110' ' ' CYS . 5.9 t -115.84 173.18 6.7 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.227 0.537 . . . . 1.93 111.975 -173.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -170.94 140.16 1.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.315 -0.857 . . . . 3.73 109.484 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.532 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 7.2 m -86.09 119.15 26.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.813 0.339 . . . . 1.67 110.759 -177.459 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.3 m -133.45 133.33 42.16 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.124 -0.489 . . . . 2.24 109.784 178.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.644 HG23 ' SG ' ' A' ' 58' ' ' CYS . 5.8 p -79.91 120.58 24.32 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.842 0.353 . . . . 2.78 110.613 177.276 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.0 t -76.09 153.49 36.29 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.299 -1.0 . . . . 2.69 108.299 173.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -122.13 130.21 53.03 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.906 0.384 . . . . 3.71 111.161 -172.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.624 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 10.2 t -114.26 158.84 20.86 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.375 -0.602 . . . . 1.48 109.375 177.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -106.63 115.83 30.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.018 0.437 . . . . 1.75 110.054 -178.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.3 m -110.23 139.29 34.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.975 -0.557 . . . . 1.08 111.067 -177.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.513 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 20.6 pttm -68.19 114.44 6.69 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.418 0.628 . . . . 3.82 110.702 178.386 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.4 142.74 50.73 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.697 -0.683 . . . . 1.13 110.341 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.2 tp -79.93 104.43 10.5 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 108.571 -0.9 . . . . 1.45 108.571 174.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.492 HG22 ' HA ' ' A' ' 38' ' ' VAL . 72.1 p -117.65 152.47 35.13 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.879 -0.6 . . . . 1.14 109.948 -175.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.481 ' CG2' ' HB ' ' A' ' 37' ' ' THR . 10.2 t -96.4 114.21 25.87 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.657 0.742 . . . . 1.32 109.225 177.165 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -63.66 -33.81 76.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 114.871 -1.059 . . . . 2.47 109.878 -177.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -157.4 -63.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.035 -0.984 . . . . 3.09 108.709 173.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -139.8 27.59 2.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.806 -0.634 . . . . 3.29 109.667 173.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -136.72 118.81 15.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.448 -0.797 . . . . 2.74 109.862 -177.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.45 122.34 21.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.84 -0.618 . . . . 1.44 110.363 177.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.02 145.71 33.17 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.227 -0.442 . . . . 1.38 110.459 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -74.88 114.48 13.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.09 0.471 . . . . 2.35 110.881 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.513 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 33.4 mmt180 -114.07 173.29 6.51 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.457 -0.792 . . . . 3.48 109.578 176.352 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -119.48 107.96 13.96 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.324 -0.991 . . . . 1.98 108.324 176.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 39.7 pt -111.53 143.45 21.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.281 0.562 . . . . 0.86 111.45 -169.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.624 ' HA ' ' O ' ' A' ' 85' ' ' THR . 26.5 ptt180 -77.9 126.24 30.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.142 -0.936 . . . . 3.71 111.247 -176.65 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 46.3 pt -125.26 148.9 29.68 Favored 'Isoleucine or valine' 0 C--O 1.243 0.758 0 CA-C-N 115.521 -0.763 . . . . 0.83 110.015 173.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.501 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 30.5 m-20 -66.25 110.19 2.94 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.747 -0.66 . . . . 1.69 109.26 176.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -90.98 -42.64 10.44 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.932 -0.576 . . . . 2.29 111.395 -170.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.492 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -158.08 140.25 14.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.262 -0.427 . . . . 1.14 110.86 -178.249 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.532 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 41.9 t -90.46 98.91 12.06 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.668 -0.864 . . . . 1.56 108.668 176.364 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 m -101.06 151.72 5.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.124 -0.489 . . . . 1.07 110.96 -172.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.676 ' SG ' HG23 ' A' ' 14' ' ' VAL . 67.1 m -96.46 109.0 21.64 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.755 -0.461 . . . . 1.45 109.755 175.071 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.6 m -71.78 165.06 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.434 -0.803 . . . . 1.52 110.705 -177.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.5 mt -119.64 136.77 54.25 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.079 0.466 . . . . 1.67 109.888 174.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.1 t -131.45 141.34 49.78 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.678 -0.86 . . . . 2.62 108.678 173.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.439 ' O ' ' HB2' ' A' ' 115' ' ' LYS . 20.3 tpt180 -76.5 8.99 2.97 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.603 -0.271 . . . . 6.73 110.546 -177.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 114' ' ' ARG . 60.1 mtpt 77.86 -40.13 0.31 Allowed 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.77 0.828 . . . . 4.59 110.971 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -115.72 78.68 1.2 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.692 -0.485 . . . . 4.5 109.692 173.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 10.6 p -109.82 6.52 23.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.002 -0.545 . . . . 5.74 111.35 -177.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.465 ' NE ' ' HA ' ' A' ' 118' ' ' ARG . 3.7 mmp_? . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.455 -0.784 . . . . 8.67 110.054 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 22.4 t . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 121.06 0.457 . . . . 13.98 110.053 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 27.8 p -136.29 9.0 3.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.151 -0.477 . . . . 12.76 110.697 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 5.8 p -89.44 95.44 10.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.921 -0.581 . . . . 11.36 110.893 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -136.46 105.29 9.24 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.005 -0.543 . . . . 10.29 110.801 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -78.5 62.78 8.32 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.705 2.27 . . . . 7.63 111.775 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 5.2 t 57.7 32.76 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-N 115.606 -0.725 . . . . 6.65 109.713 -178.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 53.4 39.16 29.49 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.601 -0.727 . . . . 7.27 111.041 -176.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 65.68 14.07 9.31 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.715 -0.675 . . . . 7.72 110.126 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 22.1 ptp 41.43 41.4 1.54 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.334 1.054 . . . . 5.34 111.107 -174.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.21 -32.45 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.035 -0.984 . . . . 3.98 111.878 -177.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -87.32 71.45 9.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.08 0.467 . . . . 4.62 110.217 -178.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -127.51 165.1 20.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.982 -0.553 . . . . 3.65 111.237 -179.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 23.6 t -150.34 144.44 25.51 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.776 -0.824 . . . . 2.42 108.776 173.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.666 HG23 ' SG ' ' B' ' 110' ' ' CYS . 15.9 m -88.87 6.03 4.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.085 0.469 . . . . 1.41 111.148 -178.294 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.546 ' HB2' ' SG ' ' B' ' 110' ' ' CYS . 34.7 t -144.14 152.2 40.58 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.559 -0.746 . . . . 1.75 109.41 176.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.64 114.56 3.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.0 0.428 . . . . 2.87 110.717 -178.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 15.9 m -126.71 151.76 47.71 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.874 -0.603 . . . . 1.72 110.607 -176.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.502 ' HB ' ' NE ' ' B' ' 59' ' ' ARG . 7.3 p -129.15 120.16 50.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.879 0.371 . . . . 1.51 110.401 175.034 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.41 ' HB3' ' CE2' ' B' ' 54' ' ' PHE . 50.7 m -97.38 111.74 23.87 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.937 0.399 . . . . 1.66 110.26 179.004 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 55.3 t -119.56 137.79 52.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.158 -0.473 . . . . 1.03 110.779 -177.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -95.62 95.28 8.25 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.773 -0.825 . . . . 1.61 108.773 170.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 48.7 t -80.3 120.5 31.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.551 -0.75 . . . . 0.96 110.267 -175.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.49 ' HA2' ' O ' ' B' ' 51' ' ' GLN . . . -115.04 17.84 16.89 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.755 -0.736 . . . . 1.27 111.996 179.037 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -140.56 37.26 1.84 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.921 0.391 . . . . 3.01 111.036 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -74.39 129.45 37.79 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.159 -0.682 . . . . 1.32 109.159 178.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 40.0 p -100.74 -38.07 8.45 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.46 0.541 . . . . 1.82 112.46 -172.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.96 139.5 30.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.797 0.332 . . . . 1.0 111.213 -178.38 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.3 164.09 34.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.115 -0.493 . . . . 0.79 110.951 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 2.4 m -96.82 122.68 40.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.089 -0.505 . . . . 1.01 110.572 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -72.62 165.14 25.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.795 -0.639 . . . . 1.84 109.94 176.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.1 tt -59.68 -26.47 35.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-O 121.001 0.429 . . . . 1.33 111.214 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -80.69 -3.8 52.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.344 -0.389 . . . . 2.22 110.935 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.55 10.72 60.17 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.87 -0.681 . . . . 1.25 112.334 177.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -86.62 137.14 32.72 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.754 0.312 . . . . 2.14 111.221 -178.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -85.15 114.02 21.96 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.901 -0.777 . . . . 2.19 108.901 172.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 16.7 m -120.41 152.6 23.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 120.989 0.423 . . . . 1.01 111.181 -176.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' THR . . . . . 0.47 ' HB ' ' CG2' ' B' ' 92' ' ' THR . 19.3 m -87.0 114.76 23.88 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.409 -0.814 . . . . 1.04 110.182 -178.33 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.481 ' HA ' HG22 ' B' ' 91' ' ' THR . 54.4 t -80.7 137.71 20.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.922 -0.581 . . . . 1.1 110.122 -177.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 69.3 mt -99.51 113.56 26.03 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.273 -0.64 . . . . 1.91 109.273 177.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.545 ' O ' ' HA ' ' B' ' 50' ' ' ARG . . . -65.71 -36.38 83.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.293 0.568 . . . . 2.18 109.865 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -114.59 114.91 26.34 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.921 -1.036 . . . . 3.59 108.755 176.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.623 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 34.5 m -104.56 132.45 51.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.068 0.461 . . . . 2.39 111.237 -175.505 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -96.04 99.05 10.85 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.737 -0.665 . . . . 3.25 109.827 177.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 65.7 mt -115.42 100.1 9.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.143 -0.481 . . . . 2.77 110.063 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 57.73 50.46 10.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.798 -0.637 . . . . 3.84 110.033 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 63.89 20.14 12.07 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.106 -0.952 . . . . 4.76 111.939 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 32.2 t -118.73 121.72 40.78 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.986 -0.746 . . . . 3.33 108.986 175.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.623 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 47.2 t -103.61 109.39 26.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.957 0.408 . . . . 2.38 111.4 -175.07 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' PHE . . . . . 0.446 ' O ' HG22 ' B' ' 42' ' ' VAL . 64.0 m-85 -109.5 149.43 29.61 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.009 -0.542 . . . . 4.13 109.95 175.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.545 ' HA ' ' O ' ' B' ' 40' ' ' ALA . 20.5 ttm180 -97.5 137.0 37.12 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.86 0.362 . . . . 4.84 110.169 177.219 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.49 ' O ' ' HA2' ' B' ' 23' ' ' GLY . 85.9 mm-40 -86.06 108.51 18.3 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.642 -0.708 . . . . 4.56 111.375 -176.571 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -93.61 123.53 37.0 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.649 -0.5 . . . . 2.45 109.649 175.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -114.03 124.66 52.67 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.668 0.27 . . . . 1.16 110.664 178.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' PHE . . . . . 0.41 ' CE2' ' HB3' ' B' ' 19' ' ' SER . 84.4 t80 -84.67 97.08 9.44 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.16 -0.473 . . . . 3.56 110.201 -178.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' GLU . . . . . 0.503 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 39.4 mt-10 -106.45 109.91 21.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.95 -0.568 . . . . 1.49 110.523 179.756 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 53.4 m -96.48 98.54 10.31 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.846 -0.798 . . . . 1.07 108.846 173.062 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' LYS . . . . . 0.437 ' HA ' HG21 ' B' ' 82' ' ' THR . 23.5 mtpp -103.56 153.89 20.09 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.423 -0.808 . . . . 2.48 110.614 -169.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' CYS . . . . . 0.647 ' SG ' HG23 ' B' ' 82' ' ' THR . 75.4 m -75.12 109.84 8.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.085 -0.507 . . . . 1.73 110.609 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 59' ' ' ARG . . . . . 0.502 ' NE ' ' HB ' ' B' ' 18' ' ' VAL . 65.9 mtt180 -67.85 -50.2 57.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.021 -0.536 . . . . 3.49 110.477 176.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -148.25 96.82 2.68 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.737 -0.665 . . . . 2.58 110.277 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 16.7 p -67.0 140.36 57.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.033 -0.531 . . . . 2.76 110.533 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ASN . . . . . 0.696 ' HA ' ' O ' ' B' ' 67' ' ' GLY . 93.0 m-20 68.6 70.72 0.4 Allowed Pre-proline 0 N--CA 1.466 0.33 0 O-C-N 123.657 0.598 . . . . 2.59 110.849 -178.43 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -62.09 -27.97 79.57 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.498 2.132 . . . . 2.57 111.642 177.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 34.6 m -111.83 163.88 8.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.67 -0.696 . . . . 2.53 109.437 176.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -80.77 57.05 2.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.02 0.438 . . . . 4.2 111.346 -175.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 10.1 p -169.21 -66.31 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.868 -0.606 . . . . 3.9 109.754 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.696 ' O ' ' HA ' ' B' ' 62' ' ' ASN . . . -151.76 -84.2 0.04 OUTLIER Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.891 -0.671 . . . . 2.6 112.113 179.02 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 77.2 m -140.56 173.11 11.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.799 0.333 . . . . 1.74 111.104 -178.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -72.63 135.96 45.6 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.848 -0.427 . . . . 3.95 109.848 -178.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.84 -46.4 3.43 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.727 -0.749 . . . . 1.6 111.969 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' ILE . . . . . 0.678 HG22 ' H ' ' B' ' 72' ' ' ASP . 9.6 mm -76.36 178.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.618 -0.512 . . . . 1.65 109.618 179.311 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' ASP . . . . . 0.678 ' H ' HG22 ' B' ' 71' ' ' ILE . 14.8 m-20 69.93 69.74 0.23 Allowed 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.353 0.597 . . . . 3.32 111.111 173.444 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 15.4 m -117.07 -67.01 1.02 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.608 -0.724 . . . . 4.63 110.493 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -126.7 -60.89 1.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.935 0.346 . . . . 3.06 111.935 -175.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -113.48 5.92 16.89 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.534 0.568 . . . . 3.51 112.534 -172.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' TRP . . . . . 0.518 ' O ' ' HA ' ' B' ' 72' ' ' ASP . 75.0 m95 -123.38 137.58 54.79 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.234 0.54 . . . . 3.17 111.386 179.391 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 77' ' ' ASN . . . . . 0.437 ' HA ' ' OD1' ' B' ' 72' ' ' ASP . 6.6 t30 -124.76 135.05 52.64 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.021 -0.99 . . . . 2.7 108.425 174.02 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.489 ' OG ' ' HB3' ' B' ' 110' ' ' CYS . 5.8 t -115.67 173.53 6.49 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.29 0.567 . . . . 1.93 112.188 -173.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -171.31 140.09 1.4 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.28 -0.873 . . . . 3.73 109.478 178.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.539 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 7.1 m -86.02 119.16 26.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.897 0.379 . . . . 1.67 110.781 -177.527 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 26.9 m -133.53 133.29 41.96 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.087 -0.506 . . . . 2.25 109.752 178.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.647 HG23 ' SG ' ' B' ' 58' ' ' CYS . 6.8 p -80.05 120.45 24.24 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-O 120.789 0.328 . . . . 2.78 110.692 177.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 14.9 t -76.03 153.33 36.52 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.131 -1.063 . . . . 2.69 108.131 174.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -121.89 130.11 53.1 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 120.967 0.413 . . . . 3.71 111.308 -172.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.632 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 10.3 t -114.0 158.89 20.58 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.366 -0.605 . . . . 1.48 109.366 177.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.411 ' HB3' ' HB3' ' B' ' 101' ' ' PHE . 95.6 m-85 -106.53 115.94 31.07 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.956 0.408 . . . . 1.75 109.983 -178.235 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 16.2 m -110.39 139.5 33.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.937 -0.574 . . . . 1.08 110.955 -177.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' LYS . . . . . 0.52 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 20.7 pttm -68.38 114.43 6.82 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.835 -0.62 . . . . 3.82 110.719 178.402 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.53 142.83 50.68 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.687 -0.688 . . . . 1.13 110.195 178.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 23.3 tp -79.86 104.32 10.36 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.598 -0.89 . . . . 1.45 108.598 174.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' THR . . . . . 0.481 HG22 ' HA ' ' B' ' 38' ' ' VAL . 71.1 p -117.65 152.49 35.08 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.033 -0.53 . . . . 1.15 110.004 -175.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.47 ' CG2' ' HB ' ' B' ' 37' ' ' THR . 10.0 t -96.36 114.15 25.8 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.531 0.682 . . . . 1.32 109.314 177.24 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -63.85 -32.89 74.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.024 -0.989 . . . . 2.46 110.072 -177.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -158.19 -64.29 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.004 -0.998 . . . . 3.09 108.536 173.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -139.54 27.89 2.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.865 -0.607 . . . . 3.3 109.56 173.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -137.09 118.74 14.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.376 -0.829 . . . . 2.74 109.918 -177.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.82 122.15 21.1 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.103 -0.499 . . . . 1.44 110.431 177.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.91 145.73 33.35 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.073 -0.512 . . . . 1.39 110.493 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -74.79 114.22 12.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.14 -0.482 . . . . 2.35 111.05 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 100' ' ' ARG . . . . . 0.52 ' O ' ' HA ' ' B' ' 88' ' ' LYS . 33.5 mmt180 -114.0 173.38 6.46 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.509 -0.769 . . . . 3.48 109.498 176.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.411 ' HB3' ' HB3' ' B' ' 86' ' ' PHE . 95.4 m-85 -119.63 108.0 13.93 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.373 -0.973 . . . . 1.98 108.373 176.077 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 39.8 pt -111.53 143.32 21.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.291 0.567 . . . . 0.86 111.457 -169.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.632 ' HA ' ' O ' ' B' ' 85' ' ' THR . 26.2 ptt180 -77.77 126.49 30.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.15 -0.932 . . . . 3.72 111.222 -176.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 46.4 pt -125.54 148.84 30.02 Favored 'Isoleucine or valine' 0 C--O 1.244 0.805 0 CA-C-N 115.647 -0.706 . . . . 0.83 110.033 173.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 105' ' ' ASP . . . . . 0.503 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 32.5 m-20 -66.09 110.05 2.82 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.18 -0.674 . . . . 1.69 109.18 176.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -91.03 -42.71 10.37 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.97 -0.559 . . . . 2.29 111.377 -170.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 107' ' ' ALA . . . . . 0.503 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -157.83 140.56 14.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.319 -0.4 . . . . 1.15 110.704 -178.401 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 108' ' ' CYS . . . . . 0.539 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 42.0 t -90.69 98.97 12.09 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.694 -0.854 . . . . 1.56 108.694 176.141 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 m -101.0 151.69 5.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.011 -0.541 . . . . 1.08 110.955 -173.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.666 ' SG ' HG23 ' B' ' 14' ' ' VAL . 66.7 m -96.44 109.09 21.71 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.11 -0.496 . . . . 1.45 109.761 175.076 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.451 HG11 ' HA2' ' A' ' 10' ' ' GLY . 12.6 m -72.0 164.88 3.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.458 -0.792 . . . . 1.52 110.712 -177.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 69.2 mt -119.38 136.9 54.06 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.026 0.441 . . . . 1.67 109.986 174.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 43.3 t -131.58 141.15 49.61 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 108.603 -0.888 . . . . 2.62 108.603 173.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 114' ' ' ARG . . . . . 0.44 ' O ' ' HB2' ' B' ' 115' ' ' LYS . 20.5 tpt180 -76.33 8.93 2.93 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.468 -0.333 . . . . 6.72 110.549 -177.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 115' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' B' ' 114' ' ' ARG . 59.8 mtpt 78.03 -39.95 0.29 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.862 0.865 . . . . 4.59 111.012 179.158 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -115.75 78.15 1.15 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.148 -0.478 . . . . 4.5 109.795 173.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 11.2 p -109.42 6.38 24.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.184 0.516 . . . . 5.74 111.553 -177.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 118' ' ' ARG . . . . . 0.466 ' NE ' ' HA ' ' B' ' 118' ' ' ARG . 3.7 mmp_? . . . . . 0 C--O 1.247 0.924 0 CA-C-O 118.428 -0.796 . . . . 8.68 109.936 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 N--CA 1.476 0.841 0 CA-C-O 120.613 0.244 . . . . 13.98 110.574 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.0 m -127.92 108.36 10.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.525 -0.307 . . . . 12.75 110.236 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.9 p -81.9 69.47 8.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.214 0.53 . . . . 11.35 111.226 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -108.79 113.84 59.21 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 109.147 -0.686 . . . . 10.28 109.147 177.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -73.76 66.44 4.84 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.757 2.305 . . . . 7.63 113.045 -176.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.3 t 55.2 87.17 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 C-N-CA 123.106 0.562 . . . . 6.65 111.464 175.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -60.57 -23.39 64.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.91 -0.586 . . . . 7.27 111.039 -179.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -62.08 -20.01 63.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 7.72 111.38 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 58.5 mtm -73.78 -14.71 61.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.911 0.386 . . . . 5.34 110.124 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.02 4.57 55.94 Favored Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 111.396 -0.682 . . . . 3.98 111.396 175.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -100.62 12.26 37.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.991 0.424 . . . . 4.63 110.243 178.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -87.65 68.5 9.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.195 0.522 . . . . 3.65 110.648 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 m -61.36 118.72 7.29 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.439 -0.8 . . . . 2.42 110.041 177.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.8 m -57.87 -30.31 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.134 0 CA-C-O 120.952 0.406 . . . . 1.41 110.933 177.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.463 ' SG ' ' HB3' ' A' ' 60' ' ' ALA . 43.4 t -109.58 129.45 55.58 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.964 -0.562 . . . . 1.75 109.998 177.42 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -67.36 116.37 8.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.141 -0.481 . . . . 2.87 110.151 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.8 p -132.01 155.57 47.78 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.923 -0.581 . . . . 1.72 110.587 -177.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 56' ' ' THR . 7.1 p -122.83 115.89 47.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.082 0.468 . . . . 1.51 110.893 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.0 m -89.46 119.71 30.15 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.576 -0.527 . . . . 1.66 109.576 175.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 54' ' ' PHE . 53.7 t -118.31 137.48 52.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.092 -0.504 . . . . 1.03 110.973 -174.176 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.422 ' HA ' ' O ' ' A' ' 53' ' ' PHE . 97.6 m95 -95.08 96.91 9.55 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.826 -0.805 . . . . 1.61 108.826 173.63 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.4 t -78.79 136.11 24.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.238 -0.892 . . . . 0.96 110.288 -174.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.12 65.37 2.66 Favored Glycine 0 N--CA 1.45 -0.376 0 O-C-N 123.721 0.638 . . . . 1.27 112.616 -178.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 73.74 0.18 3.55 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.52 0.728 . . . . 3.02 112.018 172.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.3 tttt 51.85 -139.63 0.96 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.159 -0.473 . . . . 1.32 110.72 176.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.2 m -147.05 -51.07 0.2 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.123 -0.361 . . . . 1.82 110.822 176.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.0 p -133.06 146.3 51.55 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.486 -0.325 . . . . 1.01 110.596 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.39 164.56 29.9 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.327 -0.397 . . . . 0.79 110.719 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.9 m -103.95 118.91 37.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.407 -0.361 . . . . 1.02 110.693 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -69.42 162.41 27.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.693 -0.685 . . . . 1.85 110.204 177.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.0 tt -59.64 -25.83 32.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.889 0.376 . . . . 1.33 111.419 -178.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -79.54 -6.29 56.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.783 0.325 . . . . 2.22 111.116 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.94 20.58 39.01 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.867 -0.682 . . . . 1.25 111.926 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -95.19 131.78 40.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.565 0.221 . . . . 2.14 110.653 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -84.05 115.09 22.18 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.863 -0.791 . . . . 2.19 108.863 174.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.9 m -117.55 154.99 19.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 116.096 -0.502 . . . . 1.02 110.867 -175.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.2 m -91.75 128.36 37.56 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.726 -0.67 . . . . 1.04 110.043 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.512 ' HA ' HG22 ' A' ' 91' ' ' THR . 36.5 t -90.55 141.48 14.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.296 -0.411 . . . . 1.1 110.017 -179.391 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.2 mt -86.34 126.76 34.57 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.979 -0.555 . . . . 1.91 109.804 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.3 -25.78 67.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.451 0.643 . . . . 2.18 109.89 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -137.13 125.28 23.01 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.868 -1.06 . . . . 3.59 108.674 172.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 49' ' ' PHE . 31.6 m -89.61 126.74 42.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.285 0.564 . . . . 2.4 110.396 -176.563 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -83.53 98.43 9.55 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.896 0.855 . . . . 3.25 110.624 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.8 mm -106.17 152.6 7.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 N-CA-C 107.702 -1.222 . . . . 2.77 107.702 175.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -54.89 108.51 0.4 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.778 0.323 . . . . 3.84 111.097 -175.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 66.37 29.16 9.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.196 -0.911 . . . . 4.76 111.685 178.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.4 t -161.83 115.3 1.86 Allowed 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 121.038 0.446 . . . . 3.33 110.937 176.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.7 t -116.44 114.66 46.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 110.005 -0.369 . . . . 2.37 110.005 177.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.444 ' O ' HG22 ' A' ' 42' ' ' VAL . 47.4 p90 -144.59 164.59 30.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.801 0.334 . . . . 4.13 111.079 -175.493 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -84.23 146.01 28.03 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.017 -0.735 . . . . 4.84 109.017 175.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.428 ' HB2' ' CE ' ' B' ' 88' ' ' LYS . 1.5 pp0? -109.65 -15.3 14.19 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.288 -0.565 . . . . 4.56 112.513 -173.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 61.17 166.81 0.09 Allowed 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.255 0.835 . . . . 2.46 113.255 171.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.422 ' O ' ' HA ' ' A' ' 21' ' ' TRP . 40.8 m-85 -140.75 160.62 39.65 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.488 -0.778 . . . . 1.16 110.085 172.188 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.416 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 14.1 p90 -126.43 112.99 16.27 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.103 0.477 . . . . 3.56 109.817 176.017 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 32.3 mt-10 -121.89 124.12 43.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.267 -0.424 . . . . 1.49 110.385 -178.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 66.3 m -100.78 113.23 25.96 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.123 -0.489 . . . . 1.07 109.766 177.362 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -103.47 140.83 36.96 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.977 -0.556 . . . . 2.48 110.419 -175.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 77.3 m -76.89 106.69 8.72 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.182 -0.463 . . . . 1.73 110.511 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -75.85 -32.32 59.7 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.217 -0.66 . . . . 3.48 109.217 175.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.476 ' HB1' ' O ' ' A' ' 66' ' ' SER . . . -92.84 140.74 29.19 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.021 -0.99 . . . . 2.58 109.249 173.468 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.4 m -149.12 11.53 0.82 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.593 0.235 . . . . 2.76 111.577 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.401 ' O ' ' HA3' ' A' ' 67' ' ' GLY . 16.0 t-20 -109.0 134.48 20.37 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 109.178 -0.675 . . . . 2.59 109.178 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' A' ' 78' ' ' SER . 2.8 Cg_exo -34.9 -62.56 0.2 Allowed 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 124.225 3.283 . . . . 2.57 114.615 -173.383 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.406 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 58.5 t -123.27 -55.29 2.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 121.036 -0.266 . . . . 2.53 111.559 -176.488 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -45.31 -42.81 10.15 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 123.855 0.722 . . . . 4.19 112.141 -175.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.476 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 21.6 t -138.68 62.76 1.54 Allowed 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.774 -0.825 . . . . 3.9 108.774 176.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 62' ' ' ASN . . . -175.27 -118.05 0.51 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.849 -0.691 . . . . 2.6 112.59 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 86.0 m -84.94 74.76 10.46 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.552 0.691 . . . . 1.73 111.42 -172.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 64' ' ' VAL . 10.8 mtm180 -67.2 126.21 28.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.34 -0.846 . . . . 3.94 109.931 175.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.38 -32.92 3.12 Favored Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 111.213 -0.755 . . . . 1.61 111.213 -174.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.0 mm -75.67 122.93 30.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 1.65 110.11 177.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -142.9 86.84 1.95 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.014 0.435 . . . . 3.32 110.662 -177.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.4 t -157.24 150.77 24.11 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.867 -0.606 . . . . 4.63 109.813 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -93.87 3.15 55.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.256 0.55 . . . . 3.06 109.895 177.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -102.66 -8.33 21.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.542 -0.754 . . . . 3.51 110.415 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.492 ' CE3' ' HB3' ' A' ' 112' ' ' LEU . 83.8 m95 -122.93 140.89 52.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.037 -0.529 . . . . 3.17 111.551 -174.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -118.93 135.05 54.79 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.967 -1.123 . . . . 2.69 107.967 167.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 63' ' ' PRO . 11.0 t -125.28 153.97 42.43 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.696 -0.402 . . . . 1.93 111.117 -172.31 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -173.82 174.38 3.09 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.466 -0.788 . . . . 3.73 109.305 175.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.514 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 35.5 m -103.38 138.92 39.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.196 -0.456 . . . . 1.67 110.732 -176.039 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 61.9 m -131.66 133.6 45.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.435 -0.348 . . . . 2.24 110.666 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.455 ' HB ' ' HB3' ' A' ' 105' ' ' ASP . 23.3 p -83.71 126.09 32.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.01 0.433 . . . . 2.78 110.7 177.5 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.8 p -90.15 128.9 36.46 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.225 -0.443 . . . . 2.69 110.57 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.439 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 10.8 p-80 -99.84 131.07 46.04 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.152 0.501 . . . . 3.71 110.86 -178.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.57 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 12.4 t -117.16 162.66 17.5 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.962 -0.755 . . . . 1.48 108.962 178.257 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.4 ' HA ' ' O ' ' A' ' 102' ' ' ILE . 85.0 m-85 -103.36 116.19 31.96 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.954 0.406 . . . . 1.75 110.084 -177.459 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.5 m -110.27 146.58 15.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.879 -0.6 . . . . 1.08 111.306 -176.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.463 ' CE ' ' HB2' ' B' ' 51' ' ' GLN . 15.4 pttm -75.76 106.68 7.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.28 -0.873 . . . . 3.82 110.871 177.107 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.16 137.67 51.31 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.952 -0.567 . . . . 1.13 110.722 178.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.414 ' HG ' ' HB1' ' A' ' 97' ' ' ALA . 20.0 tp -75.03 104.17 5.5 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.231 -0.655 . . . . 1.45 109.231 177.445 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.512 HG22 ' HA ' ' A' ' 38' ' ' VAL . 48.9 p -127.1 163.48 23.7 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.956 -0.565 . . . . 1.14 110.202 -175.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.2 t -110.4 111.07 22.11 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.394 0.616 . . . . 1.32 110.603 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -91.74 3.18 55.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.487 -0.779 . . . . 2.47 110.95 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -161.74 -75.78 0.05 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.175 -0.466 . . . . 3.09 109.907 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -140.26 -56.98 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.726 -0.472 . . . . 3.29 109.726 174.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -65.66 160.18 23.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.06 -0.518 . . . . 2.74 110.016 176.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.414 ' HB1' ' HG ' ' A' ' 90' ' ' LEU . . . -107.06 138.05 43.98 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.238 -0.437 . . . . 1.44 110.619 -178.574 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.73 150.79 40.57 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.224 -0.444 . . . . 1.38 110.61 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -74.31 99.31 3.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.133 -0.485 . . . . 2.35 110.101 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -99.73 164.29 12.11 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.631 -0.713 . . . . 3.48 109.68 -178.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -105.52 104.1 13.75 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.232 -0.655 . . . . 1.98 109.232 177.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 23.9 pt -112.74 145.82 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.058 -0.519 . . . . 0.86 111.384 -171.497 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.57 ' HA ' ' O ' ' A' ' 85' ' ' THR . 7.0 ptm180 -79.68 119.32 22.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.616 -0.72 . . . . 3.71 111.804 -176.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.439 ' O ' ' HA ' ' A' ' 84' ' ' HIS . 47.9 pt -121.01 143.24 33.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.8 -0.637 . . . . 0.83 109.504 170.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.455 ' HB3' ' HB ' ' A' ' 82' ' ' THR . 2.7 m-20 -76.24 98.14 4.37 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.253 -0.647 . . . . 1.69 109.253 178.26 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.9 t -93.9 -20.86 19.63 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.368 0.507 . . . . 2.29 112.368 -167.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.447 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -147.5 161.39 41.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.922 0.392 . . . . 1.14 111.516 -176.634 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.514 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 40.4 t -123.1 110.68 15.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.59 -0.732 . . . . 1.56 109.039 177.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.0 m -103.77 151.38 6.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.134 -0.485 . . . . 1.07 111.305 -173.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 36.7 t -94.21 121.27 35.54 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.465 -0.789 . . . . 1.45 108.873 174.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.7 m -114.07 156.25 15.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.89 0.376 . . . . 1.52 111.559 -176.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.492 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . 81.5 mt -122.68 137.63 54.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.865 -0.607 . . . . 1.67 109.816 173.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 48.1 t -122.89 141.83 51.46 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.815 -0.439 . . . . 2.62 109.815 178.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -73.66 -7.19 51.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.656 -0.702 . . . . 6.73 110.126 -179.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt 73.72 -50.87 0.69 Allowed 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.663 0.785 . . . . 4.59 111.407 178.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -72.37 -19.58 61.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.946 0.403 . . . . 4.5 110.842 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.5 ' O ' ' HD2' ' A' ' 118' ' ' ARG . 21.8 p -83.87 152.06 24.77 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.951 -0.568 . . . . 5.74 110.692 179.283 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.5 ' HD2' ' O ' ' A' ' 117' ' ' THR . 12.8 mmm180 . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.632 -0.699 . . . . 8.67 109.262 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.475 0.801 0 CA-C-O 120.686 0.279 . . . . 13.98 110.484 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 43.3 m -128.08 108.62 10.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.767 0.318 . . . . 12.76 110.287 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 3.0 p -82.25 69.25 8.94 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.129 0.49 . . . . 11.36 111.127 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -108.71 114.08 59.1 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 109.058 -0.719 . . . . 10.29 109.058 177.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -74.06 66.52 5.12 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.749 2.299 . . . . 7.63 113.095 -176.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 24.1 t 55.22 87.17 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 115.785 -0.643 . . . . 6.65 111.577 175.195 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -60.8 -23.16 64.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.985 -0.552 . . . . 7.27 110.932 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -62.39 -19.61 63.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.325 -0.398 . . . . 7.72 111.355 -179.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 57.9 mtm -73.91 -14.92 61.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.988 0.423 . . . . 5.34 110.081 177.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -100.79 4.41 56.26 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 111.36 -0.696 . . . . 3.98 111.36 176.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -100.86 13.18 35.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.922 0.391 . . . . 4.62 110.182 178.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -88.45 68.27 8.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.215 0.531 . . . . 3.65 110.644 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 5.0 m -61.19 118.41 6.8 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.409 -0.814 . . . . 2.42 110.07 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.2 m -57.73 -30.44 37.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-O 120.996 0.427 . . . . 1.41 110.862 177.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.458 ' SG ' ' HB3' ' B' ' 60' ' ' ALA . 44.2 t -109.25 129.26 55.51 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.889 -0.596 . . . . 1.75 109.921 177.522 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -67.38 117.28 9.15 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.145 -0.48 . . . . 2.87 110.196 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 12.3 p -132.76 155.79 48.25 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.938 -0.573 . . . . 1.72 110.537 -177.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' B' ' 56' ' ' THR . 7.1 p -123.11 116.03 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-O 121.221 0.534 . . . . 1.51 110.774 179.459 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 48.8 m -89.66 119.64 30.25 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.667 -0.494 . . . . 1.66 109.667 175.674 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' B' ' 54' ' ' PHE . 57.3 t -118.34 137.77 51.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.256 -0.429 . . . . 1.03 110.762 -173.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' TRP . . . . . 0.428 ' HA ' ' O ' ' B' ' 53' ' ' PHE . 97.9 m95 -95.42 96.71 9.29 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.84 -0.8 . . . . 1.61 108.84 173.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 54.7 t -78.57 136.0 24.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-N 115.267 -0.879 . . . . 0.96 110.214 -174.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.08 65.31 2.65 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.825 -0.625 . . . . 1.27 112.493 -178.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 73.55 0.57 3.69 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.566 0.746 . . . . 3.01 112.0 172.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 50.6 tttt 51.91 -139.09 1.01 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 122.854 0.462 . . . . 1.32 110.728 176.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 25.4 m -147.21 -51.31 0.2 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.915 0.388 . . . . 1.82 110.837 175.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 7.4 p -133.18 146.11 51.22 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.396 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.22 165.09 28.48 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.258 -0.428 . . . . 0.79 110.585 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 15.2 m -104.38 118.71 37.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.372 -0.377 . . . . 1.01 110.773 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -69.21 162.81 26.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.923 -0.58 . . . . 1.84 110.163 177.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 17.0 tt -59.99 -25.53 33.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.982 0.42 . . . . 1.33 111.377 -178.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -79.92 -6.43 57.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.388 -0.369 . . . . 2.22 110.925 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.34 19.78 40.67 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.869 -0.681 . . . . 1.25 112.027 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -94.59 131.9 39.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.6 0.238 . . . . 2.14 110.719 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -84.24 114.79 22.08 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.941 -0.762 . . . . 2.19 108.941 174.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 35.6 m -117.37 155.02 19.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 116.007 -0.542 . . . . 1.01 110.955 -175.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' THR . . . . . 0.421 ' HB ' HG23 ' B' ' 92' ' ' THR . 20.0 m -91.82 128.27 37.59 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.739 -0.664 . . . . 1.04 110.07 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.489 ' HA ' HG22 ' B' ' 91' ' ' THR . 36.4 t -90.59 141.49 14.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.32 -0.4 . . . . 1.1 110.089 -179.335 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 62.6 mt -86.5 126.72 34.64 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.031 -0.531 . . . . 1.91 109.794 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.46 -25.58 67.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.393 0.616 . . . . 2.18 110.031 178.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -137.13 125.22 22.93 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.969 -1.014 . . . . 3.59 108.657 172.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.425 HG22 ' O ' ' B' ' 49' ' ' PHE . 31.4 m -89.52 126.53 42.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 121.329 0.585 . . . . 2.39 110.306 -176.537 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -83.55 98.6 9.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.905 0.86 . . . . 3.25 110.58 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.0 mm -106.17 152.58 7.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 107.666 -1.235 . . . . 2.77 107.666 175.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -55.26 108.82 0.46 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.94 0.4 . . . . 3.84 110.958 -175.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 66.29 29.16 9.68 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 114.988 -1.006 . . . . 4.76 111.779 178.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 29.0 t -162.07 115.39 1.8 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.95 0.405 . . . . 3.33 110.939 176.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 57.6 t -116.51 115.09 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.898 -0.408 . . . . 2.38 109.898 177.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' PHE . . . . . 0.425 ' O ' HG22 ' B' ' 42' ' ' VAL . 47.7 p90 -144.64 165.26 28.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.576 -0.284 . . . . 4.13 111.095 -175.567 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -85.06 146.08 27.35 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.919 -0.771 . . . . 4.84 108.919 176.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.463 ' HB2' ' CE ' ' A' ' 88' ' ' LYS . 1.5 pp0? -109.65 -15.14 14.23 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.32 -0.552 . . . . 4.56 112.463 -173.669 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 60.99 166.97 0.09 Allowed 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.335 0.865 . . . . 2.45 113.335 171.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' PHE . . . . . 0.428 ' O ' ' HA ' ' B' ' 21' ' ' TRP . 40.4 m-85 -140.84 160.57 39.77 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.582 -0.735 . . . . 1.16 110.03 172.252 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' PHE . . . . . 0.415 ' HA ' ' O ' ' B' ' 20' ' ' VAL . 13.8 p90 -126.41 112.92 16.2 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.032 0.444 . . . . 3.56 109.906 175.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -121.68 124.16 43.62 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.298 -0.41 . . . . 1.49 110.508 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 71.1 m -101.07 113.32 26.22 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.659 -0.497 . . . . 1.07 109.659 177.45 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -103.38 140.31 37.62 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.934 -0.576 . . . . 2.48 110.465 -176.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 75.0 m -76.43 107.03 8.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.079 -0.509 . . . . 1.73 110.464 178.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -76.03 -32.37 59.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.517 0.675 . . . . 3.49 109.281 175.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.496 ' HB1' ' O ' ' B' ' 66' ' ' SER . . . -92.77 140.64 29.31 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.192 -0.913 . . . . 2.58 109.273 173.582 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 50.4 m -149.2 12.32 0.83 Allowed 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.978 -0.289 . . . . 2.76 111.51 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -109.42 134.42 20.52 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 109.26 -0.644 . . . . 2.59 109.26 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' PRO . . . . . 0.423 ' HA ' ' O ' ' B' ' 78' ' ' SER . 2.7 Cg_exo -34.57 -62.75 0.19 Allowed 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 124.37 3.38 . . . . 2.57 114.602 -173.452 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 58.0 t -123.05 -55.26 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.959 -0.296 . . . . 2.53 111.66 -176.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -45.58 -42.36 11.02 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.822 0.701 . . . . 4.2 112.135 -175.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' SER . . . . . 0.496 ' O ' ' HB1' ' B' ' 60' ' ' ALA . 22.3 t -138.9 62.85 1.53 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.801 -0.815 . . . . 3.9 108.801 176.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -175.38 -118.15 0.51 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.764 -0.731 . . . . 2.6 112.534 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 86.4 m -85.03 75.0 10.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.528 0.68 . . . . 1.74 111.42 -172.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -67.14 126.56 29.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.251 -0.886 . . . . 3.95 109.96 175.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.03 -32.8 3.2 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.689 -0.767 . . . . 1.6 111.301 -175.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 48.9 mm -75.57 123.53 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.97 -0.382 . . . . 1.65 109.97 177.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -143.55 86.35 1.88 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.105 0.478 . . . . 3.32 110.681 -177.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 42.5 t -157.04 150.61 24.34 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.818 -0.628 . . . . 4.63 109.847 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -93.92 3.37 55.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.139 0.495 . . . . 3.06 109.769 177.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -102.82 -8.33 20.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.686 -0.688 . . . . 3.51 110.428 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' TRP . . . . . 0.481 ' CE3' ' HB3' ' B' ' 112' ' ' LEU . 83.8 m95 -122.94 140.67 52.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.248 0.546 . . . . 3.17 111.613 -174.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -118.83 134.98 54.78 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.091 -1.078 . . . . 2.7 108.091 167.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 10.8 t -125.5 153.76 43.09 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.749 -0.38 . . . . 1.93 111.039 -172.155 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -173.64 174.46 3.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.457 -0.792 . . . . 3.73 109.357 175.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.512 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 35.4 m -103.51 138.98 39.47 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.142 -0.481 . . . . 1.67 110.724 -176.191 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 62.3 m -131.66 133.61 45.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.487 -0.324 . . . . 2.25 110.482 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.456 ' HB ' ' HB3' ' B' ' 105' ' ' ASP . 23.8 p -83.6 126.39 32.78 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 120.888 0.375 . . . . 2.78 110.791 177.244 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 14.3 p -90.22 128.68 36.45 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.244 -0.435 . . . . 2.69 110.718 179.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' HIS . . . . . 0.445 ' HA ' ' O ' ' B' ' 104' ' ' ILE . 11.0 p-80 -99.61 131.28 45.71 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.099 0.476 . . . . 3.71 110.746 -179.073 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.573 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 12.7 t -117.38 162.63 17.62 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.817 -0.808 . . . . 1.48 108.817 178.279 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.4 ' HB3' ' HB3' ' B' ' 101' ' ' PHE . 85.3 m-85 -103.46 116.37 32.28 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.052 0.453 . . . . 1.75 110.03 -177.48 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 26.0 m -110.44 146.61 15.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.838 -0.619 . . . . 1.08 111.222 -176.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' LYS . . . . . 0.428 ' CE ' ' HB2' ' A' ' 51' ' ' GLN . 15.4 pttm -75.83 106.92 7.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.309 -0.859 . . . . 3.82 110.774 177.216 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.22 137.6 51.21 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.816 -0.629 . . . . 1.13 110.708 178.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 20.0 tp -74.99 104.24 5.5 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.201 -0.666 . . . . 1.45 109.201 177.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' THR . . . . . 0.489 HG22 ' HA ' ' B' ' 38' ' ' VAL . 51.2 p -127.12 163.44 23.81 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.868 -0.605 . . . . 1.15 110.294 -175.67 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.421 HG23 ' HB ' ' B' ' 37' ' ' THR . 4.0 t -110.62 110.73 21.54 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.496 0.665 . . . . 1.32 110.55 178.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -91.31 3.38 55.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.405 -0.816 . . . . 2.46 110.885 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -161.84 -76.33 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.223 -0.444 . . . . 3.09 109.867 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -139.96 -56.87 0.56 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.795 -0.446 . . . . 3.3 109.795 175.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -65.7 159.98 23.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.122 -0.49 . . . . 2.74 110.024 176.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -107.23 137.84 44.53 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.291 -0.413 . . . . 1.44 110.705 -178.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.52 150.71 40.81 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.391 -0.368 . . . . 1.39 110.569 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -74.14 99.43 3.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.164 -0.471 . . . . 2.35 110.064 177.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -99.76 164.75 11.91 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.61 -0.723 . . . . 3.48 109.767 -179.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.4 ' HB3' ' HB3' ' B' ' 86' ' ' PHE . 97.1 m-85 -106.05 104.11 13.75 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.2 -0.667 . . . . 1.98 109.2 177.251 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 24.0 pt -112.9 145.65 18.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.074 -0.512 . . . . 0.86 111.424 -171.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.573 ' HA ' ' O ' ' B' ' 85' ' ' THR . 6.9 ptm180 -79.4 119.1 21.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.6 -0.727 . . . . 3.72 111.822 -176.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 104' ' ' ILE . . . . . 0.445 ' O ' ' HA ' ' B' ' 84' ' ' HIS . 47.9 pt -120.95 143.18 33.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.848 -0.615 . . . . 0.83 109.583 170.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 105' ' ' ASP . . . . . 0.456 ' HB3' ' HB ' ' B' ' 82' ' ' THR . 2.5 m-20 -76.28 98.18 4.4 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.347 -0.612 . . . . 1.69 109.347 178.197 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 8.9 t -93.94 -20.94 19.54 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.311 0.486 . . . . 2.29 112.311 -167.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 107' ' ' ALA . . . . . 0.44 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -147.53 161.36 41.26 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.698 -0.401 . . . . 1.15 111.554 -176.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 108' ' ' CYS . . . . . 0.512 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 41.3 t -122.98 110.72 15.73 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.583 -0.735 . . . . 1.56 109.037 177.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 20.7 m -103.83 151.35 6.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.089 0.471 . . . . 1.08 111.409 -173.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 36.6 t -94.1 121.32 35.48 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.794 -0.817 . . . . 1.45 108.794 174.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 21.7 m -114.0 156.53 14.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.916 0.389 . . . . 1.52 111.62 -176.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.481 ' HB3' ' CE3' ' B' ' 76' ' ' TRP . 81.6 mt -122.94 137.82 54.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.893 -0.594 . . . . 1.67 109.674 173.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 47.5 t -123.08 141.81 51.56 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.824 -0.436 . . . . 2.62 109.824 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -73.85 -7.12 51.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.62 -0.718 . . . . 6.72 110.248 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt 73.71 -50.35 0.69 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.677 0.791 . . . . 4.59 111.338 178.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -72.75 -19.32 61.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.288 -0.415 . . . . 4.5 110.896 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 117' ' ' THR . . . . . 0.512 ' O ' ' HD2' ' B' ' 118' ' ' ARG . 21.9 p -84.31 152.46 24.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.902 -0.59 . . . . 5.74 110.606 179.276 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 118' ' ' ARG . . . . . 0.512 ' HD2' ' O ' ' B' ' 117' ' ' THR . 12.7 mmm180 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.447 -0.787 . . . . 8.68 109.691 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.9 p . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 110.257 -0.275 . . . . 13.98 110.257 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.6 m -144.55 21.51 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.836 0.35 . . . . 12.75 111.005 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.0 p -88.3 83.87 6.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.156 0.503 . . . . 11.35 110.944 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -123.13 107.95 32.52 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.183 -0.462 . . . . 10.28 110.748 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -83.35 54.35 4.61 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.699 2.266 . . . . 7.63 112.053 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.0 t 56.92 59.11 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.221 0 N-CA-C 108.98 -0.748 . . . . 6.65 108.98 -176.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 62.49 -84.12 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.093 -0.958 . . . . 7.27 109.657 -169.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -146.3 22.64 1.34 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.91 0.386 . . . . 7.72 110.306 171.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 15.7 ptp 40.43 48.22 2.39 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 114.669 -1.15 . . . . 5.34 112.677 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.46 -13.89 1.25 Allowed Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 111.38 -0.688 . . . . 3.98 111.38 177.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.15 42.25 1.12 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.144 0.497 . . . . 4.63 110.57 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.415 ' HB3' ' H ' ' B' ' 112' ' ' LEU . 36.5 m-85 -78.56 72.06 5.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.117 0.484 . . . . 3.65 110.565 177.113 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.7 t -77.74 134.1 38.15 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.677 -0.692 . . . . 2.42 109.66 177.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.441 ' O ' ' HB3' ' A' ' 68' ' ' CYS . 35.4 m -65.29 -21.75 29.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.008 -0.542 . . . . 1.41 110.844 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.3 t -121.46 134.27 55.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.834 -0.621 . . . . 1.75 110.407 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.424 ' CG ' HH21 ' A' ' 69' ' ' ARG . 1.1 m-20 -64.58 115.59 5.35 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.935 -0.575 . . . . 2.87 110.883 179.097 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.2 p -140.64 159.03 43.08 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.761 -0.654 . . . . 1.72 110.958 -176.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.5 p -125.24 121.03 59.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.005 -0.543 . . . . 1.51 110.631 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.445 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 49.3 m -92.07 121.69 33.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.378 -0.374 . . . . 1.66 110.118 177.364 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.4 t -118.75 137.87 51.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.477 -0.329 . . . . 1.03 110.902 -176.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -100.69 95.59 6.77 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.937 -0.764 . . . . 1.61 108.937 172.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.2 t -78.28 113.62 17.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.976 -0.556 . . . . 0.96 110.579 -176.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.61 -6.46 64.02 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.872 -0.68 . . . . 1.27 112.296 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -144.4 67.45 1.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.358 0.599 . . . . 3.02 110.124 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.747 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 57.1 tttp -85.16 95.69 9.23 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.758 -0.83 . . . . 1.32 108.758 175.135 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 37' ' ' THR . 13.1 t -69.47 -29.02 66.59 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.105 0.409 . . . . 1.82 112.105 -170.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 4.0 p -141.61 146.06 35.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.002 0.429 . . . . 1.01 111.345 -179.289 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -145.09 166.38 25.53 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.768 -0.651 . . . . 0.79 110.23 176.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.5 m -94.69 121.13 35.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.131 -0.486 . . . . 1.02 110.584 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -71.51 156.79 39.03 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.255 -0.884 . . . . 1.85 110.077 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.0 tt -64.51 -18.0 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.068 -0.515 . . . . 1.33 110.753 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -87.66 -4.5 58.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 2.22 111.13 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.67 24.22 28.69 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.779 -0.724 . . . . 1.25 111.964 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -99.49 165.48 11.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.94 0.4 . . . . 2.14 110.423 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -108.32 114.5 28.42 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.363 -0.977 . . . . 2.19 108.363 172.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 27' ' ' THR . 17.3 m -115.73 147.38 19.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.147 -0.479 . . . . 1.02 111.75 -173.458 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 26' ' ' THR . 24.6 m -87.82 110.82 20.78 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.392 -0.822 . . . . 1.04 110.004 179.193 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.747 ' HB ' ' O ' ' A' ' 25' ' ' LYS . 29.8 t -87.21 132.43 32.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.112 -0.494 . . . . 1.1 110.121 -176.687 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.47 ' C ' ' H ' ' A' ' 41' ' ' GLU . 82.9 mt -86.9 -19.93 28.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.274 -0.421 . . . . 1.91 111.286 -176.003 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.42 ' H ' HG12 ' A' ' 38' ' ' VAL . . . 72.53 -30.75 0.21 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.713 0.805 . . . . 2.18 111.459 -178.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.512 ' HG2' ' HG2' ' A' ' 50' ' ' ARG . 43.7 mt-10 -105.52 155.03 19.57 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.876 -0.787 . . . . 3.59 108.876 176.703 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 26.0 m -116.86 117.0 53.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.462 0.649 . . . . 2.4 110.856 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.461 ' H ' ' CD2' ' A' ' 90' ' ' LEU . 48.0 m-80 -96.35 99.77 11.43 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.481 -0.781 . . . . 3.25 109.252 177.225 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.0 mt -93.22 -84.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 C-N-CA 120.989 -0.284 . . . . 2.77 110.329 -178.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -125.52 -67.92 0.86 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.565 -0.532 . . . . 3.84 109.565 177.014 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -133.19 46.73 2.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.855 -0.611 . . . . 4.76 109.746 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.2 t -162.27 125.81 3.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.897 -0.592 . . . . 3.33 109.837 -177.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.533 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 36.9 t -127.15 96.61 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 2.37 110.212 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.507 ' O ' HG22 ' A' ' 42' ' ' VAL . 11.6 p90 -120.51 142.49 49.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.391 0.615 . . . . 4.13 111.48 -178.378 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.512 ' HG2' ' HG2' ' A' ' 41' ' ' GLU . 70.2 mtm180 -83.69 -164.81 0.97 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.244 -0.889 . . . . 4.84 111.38 -177.211 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.493 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 41.9 tp60 -150.39 -46.75 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.776 -0.647 . . . . 4.56 110.426 -178.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.493 ' HB2' ' O ' ' A' ' 51' ' ' GLN . 49.3 m-85 72.33 123.42 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.988 0.805 . . . . 2.46 110.005 -172.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -95.86 117.34 30.39 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.743 -0.662 . . . . 1.16 110.865 -174.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -83.73 107.68 16.31 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.315 -0.857 . . . . 3.56 110.53 -177.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.581 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 34.5 mt-10 -120.86 116.01 24.35 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.744 -0.662 . . . . 1.49 110.347 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' A' ' 19' ' ' SER . 57.9 m -95.63 114.42 26.17 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.812 -0.44 . . . . 1.07 109.812 175.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -107.64 140.63 40.36 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.998 -0.546 . . . . 2.48 110.604 -175.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 39.0 m -73.42 107.76 5.89 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.419 -0.586 . . . . 1.73 109.419 176.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -83.9 -0.57 51.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.222 0.534 . . . . 3.48 109.92 -179.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -156.16 134.71 11.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.238 -0.892 . . . . 2.58 109.207 175.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.6 p -83.7 -30.78 26.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.236 0.541 . . . . 2.76 109.875 177.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -141.15 86.94 11.02 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.116 -0.947 . . . . 2.59 109.081 175.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -54.44 -33.98 79.63 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.728 2.285 . . . . 2.57 112.575 -178.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.9 m -118.33 155.4 20.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.574 -0.528 . . . . 2.53 109.574 176.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -79.33 64.16 4.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.452 0.644 . . . . 4.19 110.653 -175.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.8 p -177.65 -22.57 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.883 -1.053 . . . . 3.9 109.748 -178.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.411 ' CA ' ' HB2' ' A' ' 78' ' ' SER . . . 153.58 -115.56 0.68 Allowed Glycine 0 N--CA 1.445 -0.76 0 CA-C-N 115.638 -0.71 . . . . 2.6 111.37 179.683 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.441 ' HB3' ' O ' ' A' ' 14' ' ' VAL . 72.0 m -111.28 172.74 6.71 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.126 -0.324 . . . . 1.73 110.126 177.33 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.424 HH21 ' CG ' ' A' ' 16' ' ' ASP . 90.8 mtt180 -65.3 122.08 16.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.576 -0.284 . . . . 3.94 110.828 -175.714 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 85.61 -0.3 88.15 Favored Glycine 0 N--CA 1.454 -0.131 0 C-N-CA 120.874 -0.679 . . . . 1.61 113.644 172.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.543 HG22 ' H ' ' A' ' 73' ' ' SER . 50.4 mm -78.76 137.96 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.062 0.458 . . . . 1.65 110.378 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -54.68 -37.44 65.78 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.259 -0.882 . . . . 3.32 112.22 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.543 ' H ' HG22 ' A' ' 71' ' ' ILE . 31.3 t 77.04 -40.54 0.36 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.506 0.723 . . . . 4.63 112.154 175.171 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -73.84 -40.47 63.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.253 0.549 . . . . 3.06 110.518 -177.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -93.52 -15.35 25.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.737 -0.665 . . . . 3.51 111.031 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.462 ' O ' ' HA ' ' A' ' 73' ' ' SER . 90.4 m95 -142.25 115.4 8.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.441 -0.345 . . . . 3.17 111.502 -175.547 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.519 ' HB3' ' O ' ' A' ' 113' ' ' SER . 28.3 t-20 -86.19 137.15 32.86 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 107.904 -1.147 . . . . 2.69 107.904 170.377 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.755 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 3.1 m -111.07 143.92 41.02 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.943 0.401 . . . . 1.93 111.789 -170.687 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.439 ' O ' HG22 ' A' ' 111' ' ' VAL . 76.9 t80 -148.13 135.13 20.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.692 -0.686 . . . . 3.73 109.539 174.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.612 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 71.7 m -88.2 130.06 35.17 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.009 0.433 . . . . 1.67 111.102 -178.32 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.464 ' O ' HG22 ' A' ' 109' ' ' VAL . 60.1 m -137.73 133.92 34.71 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.914 -0.585 . . . . 2.24 109.884 178.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.3 p -81.4 129.76 34.76 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.857 0.361 . . . . 2.78 111.136 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.5 t -86.34 140.44 30.05 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 108.793 -0.818 . . . . 2.69 108.793 174.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -123.5 146.55 47.98 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.017 0.436 . . . . 3.71 111.485 -170.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.594 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 11.5 t -128.98 173.62 10.27 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.63 -0.714 . . . . 1.48 109.352 178.493 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -117.49 116.81 27.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.019 0.437 . . . . 1.75 110.93 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.3 m -114.39 139.75 38.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.813 -0.631 . . . . 1.08 110.029 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 62.4 pttt -87.42 116.08 25.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.581 0.705 . . . . 3.82 110.677 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -126.98 153.36 45.98 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.347 -0.842 . . . . 1.13 110.002 -178.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.461 ' CD2' ' H ' ' A' ' 43' ' ' ASN . 21.2 tp -73.66 112.84 10.14 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.303 0.573 . . . . 1.45 109.93 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 47.6 p -114.82 159.71 20.31 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.342 -0.844 . . . . 1.14 109.695 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.498 ' HA ' ' O ' ' A' ' 96' ' ' GLN . 9.9 t -111.62 123.61 50.6 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 121.622 0.725 . . . . 1.32 111.295 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -106.17 98.32 8.02 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.018 -0.992 . . . . 2.47 108.7 176.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 68.05 -80.63 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.363 -0.835 . . . . 3.09 110.606 -175.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -128.17 -13.26 5.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.801 0.334 . . . . 3.29 110.819 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.498 ' O ' ' HA ' ' A' ' 92' ' ' THR . 2.1 mp0 -85.36 156.31 20.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.41 -0.359 . . . . 2.74 110.532 -175.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -122.61 116.88 24.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.227 -0.442 . . . . 1.44 109.937 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.78 144.95 47.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.828 0.347 . . . . 1.38 111.313 -175.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 51.6 m95 -76.98 102.21 6.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.869 -0.605 . . . . 2.35 110.031 178.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 22.9 mmm180 -109.39 145.98 35.2 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.949 0.404 . . . . 3.48 111.14 -177.265 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -83.41 111.47 19.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.491 -0.777 . . . . 1.98 110.072 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 36.4 pt -114.23 148.86 16.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.751 -0.659 . . . . 0.86 110.441 -178.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.594 ' HA ' ' O ' ' A' ' 85' ' ' THR . 32.7 ptt180 -86.45 133.67 33.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.085 -0.507 . . . . 3.71 110.944 -177.071 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 40.4 pt -132.21 151.28 34.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.835 -0.621 . . . . 0.83 110.047 174.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.581 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 37.8 m-20 -86.82 119.83 27.45 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.821 -0.437 . . . . 1.69 109.821 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 18.5 p -90.69 -39.33 12.51 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.721 0.296 . . . . 2.29 111.603 -174.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -153.28 157.71 40.55 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.929 0.395 . . . . 1.14 111.095 -177.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.612 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 41.0 t -104.65 110.68 23.1 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.24 -0.652 . . . . 1.56 109.24 176.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 81' ' ' THR . 16.7 m -98.05 152.98 4.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.147 -0.478 . . . . 1.07 110.154 -176.252 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.755 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 53.0 t -107.71 104.7 14.28 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.423 -0.584 . . . . 1.45 109.423 177.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 79' ' ' TYR . 28.6 m -78.18 135.45 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.829 -0.434 . . . . 1.52 109.829 -179.283 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.451 ' HB3' ' HB3' ' A' ' 76' ' ' TRP . 72.7 mt -112.78 136.8 51.98 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.473 -0.331 . . . . 1.67 111.051 -177.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.519 ' O ' ' HB3' ' A' ' 77' ' ' ASN . 33.7 p 179.72 113.9 0.04 OUTLIER 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.728 -0.669 . . . . 2.62 110.161 173.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.435 ' HD2' ' O ' ' A' ' 114' ' ' ARG . 1.6 tmm_? -99.61 -32.39 11.11 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.146 -1.057 . . . . 6.73 108.146 167.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -120.38 150.31 40.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.481 -1.236 . . . . 4.59 109.199 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -73.51 -14.44 61.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.985 0.421 . . . . 4.5 111.066 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 10.8 p -98.75 141.26 31.78 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.887 -0.597 . . . . 5.74 110.385 176.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.043 -0.98 . . . . 8.67 110.739 -177.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 21.6 p . . . . . 0 N--CA 1.474 0.754 0 N-CA-C 110.317 -0.253 . . . . 13.98 110.317 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 58.2 m -144.68 21.62 1.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.829 0.347 . . . . 12.76 111.013 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 1.8 p -88.52 83.63 6.8 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.057 0.456 . . . . 11.36 110.953 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -122.84 107.99 33.14 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-O 121.111 0.482 . . . . 10.29 110.872 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -83.44 54.21 4.52 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 122.718 2.279 . . . . 7.63 112.0 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 17.2 t 57.16 59.2 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 N-CA-C 108.83 -0.804 . . . . 6.65 108.83 -176.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 62.4 -84.12 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.083 -0.962 . . . . 7.27 109.753 -169.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -146.39 22.65 1.32 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.006 0.431 . . . . 7.72 110.241 170.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 15.7 ptp 40.67 47.97 2.51 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 114.599 -1.182 . . . . 5.34 112.609 178.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.4 -13.6 1.28 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.85 -0.69 . . . . 3.98 111.384 177.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.43 42.55 1.11 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.207 0.527 . . . . 4.62 110.567 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' PHE . . . . . 0.447 ' HB3' ' H ' ' A' ' 112' ' ' LEU . 36.8 m-85 -78.77 72.03 5.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.043 -0.526 . . . . 3.65 110.42 177.113 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 45.6 t -77.78 134.09 38.11 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.806 -0.634 . . . . 2.42 109.741 177.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.433 ' O ' ' HB3' ' B' ' 68' ' ' CYS . 35.4 m -65.14 -21.52 29.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.08 -0.509 . . . . 1.41 110.901 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 38.8 t -121.81 134.17 54.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.823 -0.626 . . . . 1.75 110.304 176.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' ASP . . . . . 0.425 ' CG ' HH21 ' B' ' 69' ' ' ARG . 1.0 OUTLIER -64.82 115.86 5.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.929 -0.578 . . . . 2.87 110.774 179.297 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 3.2 p -140.7 159.28 42.54 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.735 -0.666 . . . . 1.72 110.854 -176.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.7 p -125.29 121.29 60.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.14 -0.482 . . . . 1.51 110.736 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.442 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 48.1 m -92.56 121.59 34.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.389 -0.369 . . . . 1.66 110.154 177.427 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 68.7 t -118.77 137.91 51.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.313 -0.403 . . . . 1.03 111.0 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -100.84 95.97 6.98 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.907 -0.775 . . . . 1.61 108.907 172.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 23.6 t -78.61 113.64 18.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.94 -0.573 . . . . 0.96 110.53 -175.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.85 -5.94 64.01 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.833 -0.699 . . . . 1.27 112.269 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -144.68 67.12 1.25 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.386 0.612 . . . . 3.01 110.054 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.742 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 57.1 tttp -84.63 95.73 8.98 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.725 -0.842 . . . . 1.32 108.725 175.079 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 12.9 t -69.85 -29.02 66.17 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.04 0.385 . . . . 1.82 112.04 -170.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' B' ' 36' ' ' VAL . 4.3 p -141.52 145.95 35.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.051 0.453 . . . . 1.0 111.217 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.98 166.61 24.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.672 -0.695 . . . . 0.79 110.241 176.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 12.1 m -94.97 121.05 36.19 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.161 -0.472 . . . . 1.01 110.554 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -71.83 156.44 39.3 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.213 -0.903 . . . . 1.84 110.003 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.0 tt -64.08 -18.03 21.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.35 0.595 . . . . 1.33 110.845 179.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -87.54 -4.91 58.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.08 -0.509 . . . . 2.22 111.045 177.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.05 24.5 26.99 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.923 -0.656 . . . . 1.25 111.917 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -99.79 165.2 11.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.932 0.396 . . . . 2.14 110.452 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -107.54 114.9 29.2 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.517 -0.92 . . . . 2.19 108.517 172.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' B' ' 27' ' ' THR . 17.6 m -115.99 147.38 19.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.13 0.491 . . . . 1.01 111.754 -173.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 25.2 m -88.09 110.45 20.66 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.249 -0.887 . . . . 1.04 109.829 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.742 ' HB ' ' O ' ' B' ' 25' ' ' LYS . 31.0 t -87.11 132.45 32.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.179 -0.464 . . . . 1.1 110.025 -176.423 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' LEU . . . . . 0.473 ' C ' ' H ' ' B' ' 41' ' ' GLU . 83.2 mt -87.09 -19.47 28.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.256 -0.429 . . . . 1.91 111.217 -175.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.423 ' H ' HG12 ' B' ' 38' ' ' VAL . . . 71.99 -30.61 0.21 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.63 0.772 . . . . 2.18 111.488 -178.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.504 ' HG2' ' HG2' ' B' ' 50' ' ' ARG . 43.8 mt-10 -105.37 155.22 19.32 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.871 -0.788 . . . . 3.59 108.871 176.579 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 26.0 m -117.13 117.31 54.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 121.426 0.632 . . . . 2.39 110.69 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.469 ' H ' ' CD2' ' B' ' 90' ' ' LEU . 48.1 m-80 -96.42 99.9 11.53 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.326 -0.852 . . . . 3.25 109.29 176.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 68.5 mt -93.25 -85.0 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.561 -0.29 . . . . 2.77 110.284 -179.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -124.94 -67.93 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.538 -0.542 . . . . 3.84 109.538 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -132.89 46.4 2.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.917 -0.583 . . . . 4.76 109.829 178.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 17.7 t -161.94 125.6 3.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.968 -0.56 . . . . 3.33 109.849 -177.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.529 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 36.0 t -126.81 96.83 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 2.38 110.101 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' PHE . . . . . 0.508 ' O ' HG22 ' B' ' 42' ' ' VAL . 12.0 p90 -120.61 142.43 49.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.349 0.595 . . . . 4.13 111.512 -178.402 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.504 ' HG2' ' HG2' ' B' ' 41' ' ' GLU . 69.7 mtm180 -83.63 -164.49 0.92 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.278 -0.874 . . . . 4.84 111.379 -177.131 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.485 ' O ' ' HB2' ' B' ' 52' ' ' TYR . 42.0 tp60 -150.89 -46.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.717 -0.674 . . . . 4.56 110.521 -178.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 52' ' ' TYR . . . . . 0.485 ' HB2' ' O ' ' B' ' 51' ' ' GLN . 49.0 m-85 71.92 123.43 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.847 0.717 . . . . 2.45 109.982 -172.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -96.02 117.41 30.61 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.697 -0.683 . . . . 1.16 110.761 -174.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -83.74 107.58 16.26 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.371 -0.831 . . . . 3.56 110.559 -177.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' GLU . . . . . 0.584 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 34.9 mt-10 -120.66 116.24 24.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.761 -0.654 . . . . 1.49 110.316 179.149 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' B' ' 19' ' ' SER . 59.4 m -95.77 114.2 25.91 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.184 -0.462 . . . . 1.07 109.806 175.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -107.3 140.69 39.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.964 -0.562 . . . . 2.48 110.6 -175.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' CYS . . . . . 0.404 ' SG ' HG23 ' B' ' 82' ' ' THR . 38.4 m -73.59 107.52 5.9 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.566 -0.531 . . . . 1.73 109.566 176.458 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -83.75 -0.26 50.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.337 0.589 . . . . 3.49 109.954 -179.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -156.39 134.75 11.45 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.272 -0.876 . . . . 2.58 109.221 175.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 16.0 p -83.85 -30.55 26.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.145 0.498 . . . . 2.76 109.814 177.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -141.45 87.21 10.53 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.06 -0.973 . . . . 2.59 108.988 175.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -54.68 -34.1 82.42 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.806 2.338 . . . . 2.57 112.457 -178.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 35.9 m -118.23 155.28 20.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.114 -0.493 . . . . 2.53 109.696 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -79.17 64.27 4.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.524 0.678 . . . . 4.2 110.56 -175.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 24.4 p -177.79 -22.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.912 -1.04 . . . . 3.9 109.704 -178.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.415 ' CA ' ' HB2' ' B' ' 78' ' ' SER . . . 153.46 -115.49 0.68 Allowed Glycine 0 N--CA 1.443 -0.881 0 CA-C-N 115.651 -0.704 . . . . 2.6 111.461 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.433 ' HB3' ' O ' ' B' ' 14' ' ' VAL . 71.5 m -111.42 172.84 6.65 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 110.035 -0.358 . . . . 1.74 110.035 177.44 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' ARG . . . . . 0.425 HH21 ' CG ' ' B' ' 16' ' ' ASP . 91.0 mtt180 -65.41 122.05 16.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.611 -0.268 . . . . 3.95 110.796 -175.472 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 85.89 -0.54 87.83 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 1.6 113.6 171.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' ILE . . . . . 0.524 HG22 ' H ' ' B' ' 73' ' ' SER . 50.4 mm -78.6 138.01 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.161 0.505 . . . . 1.65 110.335 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -54.64 -37.47 65.71 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.233 -0.894 . . . . 3.32 112.203 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' SER . . . . . 0.524 ' H ' HG22 ' B' ' 71' ' ' ILE . 31.9 t 76.97 -40.24 0.36 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.652 0.781 . . . . 4.63 112.239 175.216 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -73.77 -40.72 63.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.204 0.526 . . . . 3.06 110.442 -177.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -93.69 -15.11 25.61 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.751 -0.658 . . . . 3.51 111.059 178.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' TRP . . . . . 0.458 ' HB3' ' HB3' ' B' ' 112' ' ' LEU . 90.6 m95 -142.47 115.54 8.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.515 -0.311 . . . . 3.17 111.483 -175.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' ASN . . . . . 0.524 ' HB3' ' O ' ' B' ' 113' ' ' SER . 28.4 t-20 -86.21 136.97 32.98 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.082 -1.081 . . . . 2.7 108.082 170.43 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.743 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 2.9 m -110.64 144.06 40.13 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.963 0.411 . . . . 1.93 111.99 -170.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 79' ' ' TYR . . . . . 0.438 ' O ' HG22 ' B' ' 111' ' ' VAL . 78.1 t80 -148.16 134.96 20.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.781 -0.645 . . . . 3.73 109.588 174.635 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.61 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 72.4 m -88.19 129.82 35.23 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.046 0.451 . . . . 1.67 111.109 -178.322 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.459 ' O ' HG22 ' B' ' 109' ' ' VAL . 63.0 m -137.57 133.81 34.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.871 -0.604 . . . . 2.25 109.792 178.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.404 HG23 ' SG ' ' B' ' 58' ' ' CYS . 24.4 p -81.35 129.57 34.68 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.911 0.386 . . . . 2.78 111.158 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 6.9 t -86.34 140.43 30.06 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.872 -0.788 . . . . 2.69 108.872 174.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -123.81 145.73 48.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.024 0.44 . . . . 3.71 111.534 -170.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.605 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 11.5 t -128.19 174.0 9.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.515 -0.766 . . . . 1.48 109.455 178.565 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -117.82 116.89 27.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.012 0.435 . . . . 1.75 110.848 -179.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 21.0 m -114.52 139.76 38.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.642 -0.708 . . . . 1.08 109.968 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 62.4 pttt -87.57 116.03 25.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.505 0.669 . . . . 3.82 110.683 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -126.9 153.45 45.73 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.296 -0.865 . . . . 1.13 109.989 -178.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.469 ' CD2' ' H ' ' B' ' 43' ' ' ASN . 21.2 tp -73.78 112.75 10.19 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.29 0.567 . . . . 1.45 110.019 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 49.1 p -114.59 159.94 19.86 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.298 -0.864 . . . . 1.15 109.748 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.506 ' HA ' ' O ' ' B' ' 96' ' ' GLN . 11.3 t -111.79 124.01 51.44 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.547 0.689 . . . . 1.32 111.108 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -106.59 98.03 7.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.275 -0.875 . . . . 2.46 108.714 176.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 68.6 -80.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.432 -0.804 . . . . 3.09 110.424 -176.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -127.99 -13.17 5.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.754 0.312 . . . . 3.3 110.833 177.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 96' ' ' GLN . . . . . 0.506 ' O ' ' HA ' ' B' ' 92' ' ' THR . 2.1 mp0 -85.51 156.06 20.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.398 -0.365 . . . . 2.74 110.587 -175.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -122.23 117.33 25.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.298 -0.41 . . . . 1.44 109.938 176.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.98 144.95 47.68 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.74 0.305 . . . . 1.39 111.325 -175.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -77.12 102.1 6.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.925 -0.58 . . . . 2.35 110.044 178.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 100' ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' B' ' 88' ' ' LYS . 23.1 mmm180 -109.15 146.07 34.71 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.908 0.385 . . . . 3.48 111.138 -177.348 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -83.53 111.46 19.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.522 -0.763 . . . . 1.98 110.073 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 36.2 pt -114.26 149.17 16.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.937 -0.574 . . . . 0.86 110.347 -178.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.605 ' HA ' ' O ' ' B' ' 85' ' ' THR . 33.1 ptt180 -86.66 133.59 33.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.124 -0.489 . . . . 3.72 111.008 -177.051 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 40.7 pt -131.94 151.52 35.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.973 -0.558 . . . . 0.83 110.091 174.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 105' ' ' ASP . . . . . 0.584 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 35.6 m-20 -86.86 119.66 27.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.218 -0.447 . . . . 1.69 109.834 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 18.3 p -90.7 -39.15 12.6 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.629 -0.26 . . . . 2.29 111.67 -174.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -153.31 157.81 40.65 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.869 0.366 . . . . 1.15 111.094 -177.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 108' ' ' CYS . . . . . 0.61 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 41.2 t -104.73 110.56 22.94 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.227 -0.657 . . . . 1.56 109.227 176.583 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.459 HG22 ' O ' ' B' ' 81' ' ' THR . 16.5 m -97.94 153.05 4.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.302 -0.408 . . . . 1.08 110.268 -176.293 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.743 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 52.7 t -107.77 104.55 14.08 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.517 -0.549 . . . . 1.45 109.517 177.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.438 HG22 ' O ' ' B' ' 79' ' ' TYR . 28.6 m -78.22 134.93 27.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.923 -0.399 . . . . 1.52 109.923 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.458 ' HB3' ' HB3' ' B' ' 76' ' ' TRP . 72.9 mt -112.32 136.96 51.13 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.396 -0.365 . . . . 1.67 111.094 -177.587 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.524 ' O ' ' HB3' ' B' ' 77' ' ' ASN . 30.0 p 179.44 114.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.638 -0.71 . . . . 2.62 110.2 173.588 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 114' ' ' ARG . . . . . 0.422 ' O ' ' HD2' ' B' ' 114' ' ' ARG . 1.6 tmm_? -99.76 -32.42 11.04 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.188 -1.042 . . . . 6.72 108.188 167.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -120.29 150.01 41.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.341 -1.299 . . . . 4.59 109.296 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -73.28 -14.52 61.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 4.5 111.104 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 12.3 p -98.75 141.25 31.79 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.033 -0.53 . . . . 5.74 110.216 176.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.049 -0.977 . . . . 8.68 110.361 -177.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.0 p . . . . . 0 N--CA 1.475 0.808 0 CA-C-O 120.752 0.311 . . . . 13.98 110.461 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 p -114.19 44.13 1.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.088 0.47 . . . . 12.75 111.057 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.6 p -72.27 -28.47 63.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 11.35 110.534 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 19.5 p-80 -139.27 75.86 32.99 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.911 -0.586 . . . . 10.28 110.558 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -74.08 88.89 1.07 Allowed 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.429 2.086 . . . . 7.63 111.474 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.4 t 57.51 45.27 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 122.104 0.954 . . . . 6.65 109.389 -175.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -81.36 2.54 27.93 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.232 -0.895 . . . . 7.27 109.986 -176.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -63.64 -23.74 67.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.438 -0.801 . . . . 7.72 109.711 173.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 67.7 mtm -68.03 -19.93 64.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.944 -0.571 . . . . 5.34 110.125 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.448 ' HA2' HG11 ' B' ' 111' ' ' VAL . . . -77.12 -1.12 72.88 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 121.075 -0.583 . . . . 3.98 112.125 178.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -95.05 5.57 51.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.068 0.461 . . . . 4.63 110.076 177.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -94.44 139.77 30.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.026 -0.534 . . . . 3.65 110.559 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.2 t -143.09 158.1 43.92 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.851 -0.613 . . . . 2.42 109.353 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.1 m -72.44 -8.38 11.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.814 -0.63 . . . . 1.41 110.832 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.8 t -138.73 138.55 37.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.745 -0.661 . . . . 1.75 109.785 176.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.14 115.8 3.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.926 -0.579 . . . . 2.87 111.032 -178.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.7 m -112.8 142.18 45.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.682 -0.69 . . . . 1.72 111.269 -175.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.519 ' O ' ' HA ' ' A' ' 56' ' ' THR . 4.1 p -118.27 115.34 47.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.303 -0.408 . . . . 1.51 110.795 176.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.1 m -91.98 116.07 28.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.271 -0.422 . . . . 1.66 110.638 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.6 t -119.95 138.42 50.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.19 -0.459 . . . . 1.03 110.79 -177.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -96.71 96.13 8.39 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.783 -0.821 . . . . 1.61 108.783 170.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.6 t -86.13 112.59 22.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.561 -0.745 . . . . 0.96 111.122 -172.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.6 12.32 30.29 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.055 -0.818 . . . . 1.27 111.055 174.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -124.82 30.7 5.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.078 0.466 . . . . 3.02 110.037 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.6 tttp -88.59 102.84 15.34 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.479 -0.563 . . . . 1.32 109.479 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.482 ' O ' ' HA ' ' A' ' 37' ' ' THR . 9.0 t -103.64 -5.94 22.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.574 -0.285 . . . . 1.82 111.46 -176.426 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.1 p -141.46 133.55 27.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.814 0.34 . . . . 1.01 111.152 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.59 170.03 20.66 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.268 -0.424 . . . . 0.79 110.695 176.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.443 ' HA ' ' O ' ' A' ' 34' ' ' LYS . 9.1 m -97.84 122.5 41.02 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.861 -0.608 . . . . 1.02 110.603 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.84 160.38 23.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.241 -0.891 . . . . 1.85 109.305 175.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.2 tt -58.97 -25.99 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.991 0.424 . . . . 1.33 111.185 -179.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -80.31 -9.63 59.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.339 -0.391 . . . . 2.22 111.391 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.17 13.28 39.74 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.725 -0.75 . . . . 1.25 112.554 178.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 29' ' ' THR . 75.6 mmtt -88.86 155.1 19.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.662 0.268 . . . . 2.14 110.577 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -101.49 115.45 30.55 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.07 -0.715 . . . . 2.19 109.07 175.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.6 m -126.2 158.31 35.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.171 0.51 . . . . 1.02 111.777 -173.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.482 ' HA ' ' O ' ' A' ' 26' ' ' THR . 44.7 m -83.63 112.08 19.7 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.062 -0.972 . . . . 1.04 110.63 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.406 ' HA ' HG22 ' A' ' 91' ' ' THR . 53.9 t -84.15 135.05 25.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.849 -0.614 . . . . 1.1 110.032 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 68.7 mt -103.51 118.67 37.27 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 115.985 -0.552 . . . . 1.91 109.726 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.96 -14.16 61.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.606 0.717 . . . . 2.18 109.73 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -105.53 114.32 28.42 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 114.63 -1.168 . . . . 3.59 108.233 174.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 49' ' ' PHE . 27.8 m -95.88 108.37 21.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.885 0.85 . . . . 2.4 111.419 -176.499 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -88.97 99.38 12.37 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.681 -1.145 . . . . 3.25 109.092 176.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.9 mt -85.69 -64.75 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 120.778 -0.369 . . . . 2.77 110.307 -178.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -163.72 87.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.64 0.734 . . . . 3.84 109.714 177.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.4 m120 59.78 40.34 19.67 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.174 -0.921 . . . . 4.76 110.306 -176.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.4 t -164.86 119.37 1.33 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.639 -0.71 . . . . 3.33 109.375 -178.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.5 t -111.84 133.2 58.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.249 -0.432 . . . . 2.37 110.723 -177.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.473 ' O ' HG22 ' A' ' 42' ' ' VAL . 96.2 m-85 -124.47 144.0 50.33 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.384 -0.371 . . . . 4.13 110.268 177.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -106.59 133.53 51.13 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.344 -0.389 . . . . 4.84 110.553 178.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.89 150.69 22.81 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.49 -0.559 . . . . 4.56 109.49 176.581 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -108.66 159.46 16.72 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.467 -0.333 . . . . 2.46 110.462 -171.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -99.29 133.52 43.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.264 -0.425 . . . . 1.16 110.858 -178.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -85.27 98.87 10.76 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.29 -0.414 . . . . 3.56 110.312 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -114.51 111.13 20.9 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.95 0.405 . . . . 1.49 110.598 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.519 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 91.3 m -99.14 107.28 19.61 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.125 -0.489 . . . . 1.07 109.764 174.662 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -103.45 168.74 8.97 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.918 -0.583 . . . . 2.48 111.028 -174.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 81.7 m -86.53 125.42 33.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.787 -0.642 . . . . 1.73 109.909 177.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.492 ' NE ' ' HB ' ' A' ' 18' ' ' VAL . 74.1 mtt180 -77.79 -10.65 59.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.128 0.489 . . . . 3.48 110.697 178.03 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -158.09 155.94 30.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.69 -0.686 . . . . 2.58 109.732 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.434 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 27.6 m -86.68 -28.95 22.83 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.352 -0.61 . . . . 2.76 109.352 174.289 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.4 ' HA ' ' HD2' ' A' ' 63' ' ' PRO . 7.3 m120 -142.19 94.88 6.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.007 -0.997 . . . . 2.59 109.112 175.401 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 62' ' ' ASN . 18.2 Cg_endo -58.56 -31.58 94.77 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.579 2.186 . . . . 2.57 112.302 -178.216 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.0 m -117.96 152.71 19.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.096 -0.705 . . . . 2.53 109.096 175.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -78.19 70.94 4.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.35 0.595 . . . . 4.19 110.658 -175.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.1 t 178.09 -39.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.812 -1.086 . . . . 3.9 109.039 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.452 ' CA ' ' HB2' ' A' ' 78' ' ' SER . . . 179.89 -111.23 0.31 Allowed Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.73 -0.668 . . . . 2.6 111.745 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 86.3 m -123.41 174.33 7.43 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.287 -0.264 . . . . 1.73 110.287 179.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 69' ' ' ARG . 54.9 mtt-85 -71.29 121.67 18.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.452 -0.34 . . . . 3.94 110.958 -175.259 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.24 -7.64 80.94 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.737 -0.744 . . . . 1.61 113.357 173.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.442 HG22 ' H ' ' A' ' 73' ' ' SER . 50.1 mm -76.78 135.32 26.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.893 0.378 . . . . 1.65 111.095 -178.376 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -48.61 -47.85 39.76 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.282 -0.872 . . . . 3.32 111.309 174.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.442 ' H ' HG22 ' A' ' 71' ' ' ILE . 16.7 t 70.83 -1.99 2.45 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.373 -0.831 . . . . 4.63 112.569 169.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -99.12 -40.73 7.85 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.192 0.52 . . . . 3.06 109.818 178.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -92.08 -1.76 57.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.829 -0.623 . . . . 3.51 110.226 177.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 19.6 m-90 -146.31 136.62 23.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.09 -0.505 . . . . 3.17 111.117 -177.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.443 ' H ' ' C ' ' A' ' 113' ' ' SER . 85.8 m-20 -88.36 141.03 28.87 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 107.319 -1.363 . . . . 2.69 107.319 164.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.664 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 6.0 m -117.9 142.79 46.94 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.858 0.361 . . . . 1.93 111.315 -173.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.434 ' CE2' ' HB3' ' A' ' 61' ' ' SER . 79.3 t80 -151.94 133.84 14.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.022 -0.536 . . . . 3.73 109.721 177.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 64.2 m -79.3 120.59 23.98 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.15 0.5 . . . . 1.67 110.614 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 38.3 m -125.29 132.43 52.9 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.747 -0.66 . . . . 2.24 109.622 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 107' ' ' ALA . 3.3 p -80.08 135.04 36.25 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.959 0.409 . . . . 2.78 111.444 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.9 m -76.38 124.05 26.93 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.323 -0.621 . . . . 2.69 109.323 176.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -97.94 115.74 28.75 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.347 -0.388 . . . . 3.71 110.163 -176.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.5 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 6.7 t -111.66 157.99 19.8 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.77 -0.826 . . . . 1.48 108.77 177.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.459 ' CE2' ' HB3' ' A' ' 103' ' ' ARG . 95.9 m-85 -107.28 116.92 32.78 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.901 0.381 . . . . 1.75 110.372 -175.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.2 m -112.19 154.96 13.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.981 -0.554 . . . . 1.08 111.459 -176.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -81.4 106.38 13.31 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.203 -0.908 . . . . 3.82 109.93 -178.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.18 145.81 50.91 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.83 0.348 . . . . 1.13 111.06 -178.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.9 tp -80.66 115.81 20.36 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.767 -0.827 . . . . 1.45 108.767 175.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.406 HG22 ' HA ' ' A' ' 38' ' ' VAL . 68.9 p -125.29 149.14 48.34 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.522 -0.308 . . . . 1.14 110.93 -175.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.9 t -120.26 111.65 18.06 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.475 0.655 . . . . 1.32 109.87 175.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -72.73 -37.88 67.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.627 -0.715 . . . . 2.47 110.213 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -135.21 -79.98 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 3.09 110.768 177.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -125.45 -7.98 6.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.565 -0.289 . . . . 3.29 111.774 -176.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -114.62 127.49 55.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.989 0.423 . . . . 2.74 110.969 -175.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -87.06 123.84 32.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.79 -0.641 . . . . 1.44 110.369 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -138.1 146.8 43.32 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.25 -0.432 . . . . 1.38 110.506 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 86.0 m95 -74.6 119.24 18.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.013 -0.54 . . . . 2.35 110.569 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -129.75 169.92 14.51 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.664 -0.698 . . . . 3.48 109.961 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -98.9 118.47 35.73 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.658 -0.701 . . . . 1.98 109.905 174.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 36.8 pt -113.82 144.17 21.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.42 -0.355 . . . . 0.86 110.174 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.5 ' HA ' ' O ' ' A' ' 85' ' ' THR . 38.1 ptt180 -85.01 120.93 27.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.924 -0.58 . . . . 3.71 110.445 -178.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 49.3 pt -113.86 153.03 15.46 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.98 -0.555 . . . . 0.83 110.146 176.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -82.02 93.08 6.9 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.586 -0.894 . . . . 1.69 108.586 178.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.4 t -92.96 -16.23 25.35 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.371 0.508 . . . . 2.29 112.371 -168.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -155.51 164.05 39.19 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.526 -0.176 . . . . 1.14 110.526 -177.682 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 42.4 t -124.89 115.94 21.42 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.916 -0.402 . . . . 1.56 109.916 177.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 19.3 m -117.07 167.02 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.054 -0.521 . . . . 1.07 109.947 -178.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.664 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 48.0 t -114.47 119.65 37.59 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.759 -0.459 . . . . 1.45 109.759 176.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.455 HG11 ' HA2' ' B' ' 10' ' ' GLY . 12.1 m -84.47 146.22 7.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.983 -0.553 . . . . 1.52 109.569 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.7 mt -124.16 136.41 54.17 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.748 -0.381 . . . . 1.67 110.667 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.443 ' C ' ' H ' ' A' ' 77' ' ' ASN . 46.2 t -179.09 109.62 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.0 -0.545 . . . . 2.62 110.993 174.399 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -100.09 -15.33 18.24 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.841 -0.8 . . . . 6.73 108.841 164.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -162.27 33.28 0.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.257 -0.883 . . . . 4.59 111.223 -168.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -121.67 131.61 54.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.547 0.213 . . . . 4.5 111.19 -177.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 64.9 p 56.13 174.81 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.236 1.014 . . . . 5.74 113.151 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.536 ' NE ' ' HA ' ' A' ' 118' ' ' ARG . 5.4 tpm_? . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.051 -0.976 . . . . 8.67 111.28 -178.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 18.8 p . . . . . 0 N--CA 1.472 0.662 0 CA-C-O 120.827 0.346 . . . . 13.98 110.241 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 13.3 p -114.22 44.26 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.988 0.423 . . . . 12.76 111.007 -178.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 7.5 p -72.36 -28.37 62.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.206 0.527 . . . . 11.36 110.787 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 -139.31 75.76 32.95 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.828 -0.623 . . . . 10.29 110.448 178.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.94 89.35 1.02 Allowed 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.373 2.049 . . . . 7.63 111.52 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 6.5 t 57.13 45.07 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-O 122.109 0.957 . . . . 6.65 109.384 -175.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -81.19 2.59 27.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.237 -0.892 . . . . 7.27 110.047 -176.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -63.74 -23.79 67.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.43 -0.805 . . . . 7.72 109.641 173.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 67.8 mtm -67.93 -19.85 65.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.984 -0.553 . . . . 5.34 110.353 176.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.455 ' HA2' HG11 ' A' ' 111' ' ' VAL . . . -76.74 -2.21 75.29 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.989 -0.551 . . . . 3.98 112.021 178.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -94.47 5.91 50.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.907 0.384 . . . . 4.62 110.0 178.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -94.74 139.78 30.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.033 -0.531 . . . . 3.65 110.514 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 37.8 t -143.31 157.9 44.09 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.678 -0.692 . . . . 2.42 109.36 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 27.9 m -72.21 -8.27 11.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.782 -0.645 . . . . 1.41 110.944 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 48.9 t -138.78 138.51 37.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.7 -0.682 . . . . 1.75 109.85 176.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.14 115.8 3.43 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.981 -0.554 . . . . 2.87 111.167 -178.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 19.6 m -112.97 142.31 45.8 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.752 -0.658 . . . . 1.72 111.095 -174.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' B' ' 56' ' ' THR . 3.9 p -118.31 115.59 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.18 -0.464 . . . . 1.51 110.865 176.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 49.7 m -92.32 115.99 28.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.437 -0.347 . . . . 1.66 110.63 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 46.3 t -119.67 138.46 50.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.293 -0.412 . . . . 1.03 110.839 -177.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -96.69 96.3 8.52 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.716 -0.846 . . . . 1.61 108.716 170.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 21.7 t -86.23 112.64 22.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.717 -0.674 . . . . 0.96 111.19 -172.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.55 12.4 30.43 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.905 -0.878 . . . . 1.27 110.905 174.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -125.05 30.75 5.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.11 0.481 . . . . 3.01 110.151 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 40.8 tttp -88.54 102.26 14.75 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.058 -0.519 . . . . 1.32 109.612 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.479 ' O ' ' HA ' ' B' ' 37' ' ' THR . 8.8 t -103.05 -5.63 23.14 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.468 -0.333 . . . . 1.82 111.539 -176.475 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.1 p -141.95 133.91 27.37 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.714 0.292 . . . . 1.0 110.978 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.78 170.3 20.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.137 -0.483 . . . . 0.79 110.546 176.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' B' ' 34' ' ' LYS . 9.4 m -98.2 122.46 41.38 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.795 -0.639 . . . . 1.01 110.698 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -66.0 160.48 23.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.245 -0.889 . . . . 1.84 109.373 175.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 13.3 tt -58.56 -26.64 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.954 0.407 . . . . 1.33 111.16 -179.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -79.76 -10.27 59.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.273 -0.421 . . . . 2.22 111.254 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.84 12.95 38.77 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.711 -0.756 . . . . 1.25 112.618 178.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.447 ' O ' ' HA ' ' B' ' 29' ' ' THR . 75.7 mmtt -88.56 155.36 19.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.732 0.301 . . . . 2.14 110.578 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -101.57 115.36 30.33 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.156 -0.683 . . . . 2.19 109.156 175.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 29.5 m -126.17 158.17 35.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.144 0.497 . . . . 1.01 111.679 -173.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' THR . . . . . 0.479 ' HA ' ' O ' ' B' ' 26' ' ' THR . 40.3 m -83.43 112.06 19.6 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.094 -0.957 . . . . 1.04 110.621 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.403 ' HA ' HG22 ' B' ' 91' ' ' THR . 54.3 t -84.06 135.01 25.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.868 -0.605 . . . . 1.1 109.945 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 68.5 mt -103.46 119.03 38.09 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.106 -0.497 . . . . 1.91 109.717 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.52 -13.68 60.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.69 0.757 . . . . 2.18 109.784 177.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -105.73 114.23 28.26 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 114.627 -1.17 . . . . 3.59 108.154 174.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.461 HG22 ' O ' ' B' ' 49' ' ' PHE . 27.8 m -95.86 108.36 21.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.874 0.845 . . . . 2.39 111.485 -176.555 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -88.93 99.46 12.42 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.755 -1.111 . . . . 3.25 109.049 176.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 63.1 mt -85.83 -64.88 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.867 0.365 . . . . 2.77 110.251 -178.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -163.46 87.4 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.846 -0.616 . . . . 3.84 109.726 177.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 19.7 m120 59.72 40.58 19.62 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.313 -0.858 . . . . 4.76 110.439 -176.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 15.6 t -165.23 118.45 1.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.592 -0.731 . . . . 3.33 109.372 -178.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 40.2 t -111.02 133.66 55.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.092 -0.504 . . . . 2.38 110.567 -178.038 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' PHE . . . . . 0.461 ' O ' HG22 ' B' ' 42' ' ' VAL . 96.2 m-85 -124.72 144.28 50.31 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.339 -0.391 . . . . 4.13 110.249 177.599 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -106.6 133.8 50.73 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.354 -0.384 . . . . 4.84 110.637 177.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.22 150.93 22.4 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.565 -0.532 . . . . 4.56 109.565 176.51 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -108.9 159.8 16.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.488 -0.324 . . . . 2.45 110.54 -171.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -99.56 133.45 43.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.302 -0.408 . . . . 1.16 110.791 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -85.22 98.87 10.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.404 -0.362 . . . . 3.56 110.289 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -114.49 111.17 20.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.991 0.424 . . . . 1.49 110.741 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.522 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 90.3 m -99.14 107.55 19.94 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.078 -0.51 . . . . 1.07 109.627 174.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -103.68 168.83 8.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.926 -0.579 . . . . 2.48 111.033 -174.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 80.4 m -86.74 125.43 33.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.712 -0.676 . . . . 1.73 109.985 177.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' ARG . . . . . 0.493 ' NE ' ' HB ' ' B' ' 18' ' ' VAL . 74.0 mtt180 -77.52 -11.23 59.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.032 0.444 . . . . 3.49 110.628 178.229 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -157.66 156.09 31.15 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.691 -0.686 . . . . 2.58 109.756 178.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' SER . . . . . 0.432 ' HB3' ' CE2' ' B' ' 79' ' ' TYR . 25.3 m -86.78 -28.66 22.85 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.39 -0.596 . . . . 2.76 109.39 174.262 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ASN . . . . . 0.403 ' HA ' ' HD2' ' B' ' 63' ' ' PRO . 7.3 m120 -142.55 94.93 6.6 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.024 -0.989 . . . . 2.59 109.096 175.396 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 63' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' B' ' 62' ' ' ASN . 17.7 Cg_endo -58.46 -31.97 95.33 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.501 2.134 . . . . 2.57 112.162 -178.128 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 28.7 m -117.4 152.84 19.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.777 -0.647 . . . . 2.53 109.336 175.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -78.52 71.37 4.98 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.44 0.638 . . . . 4.2 110.573 -175.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 21.4 t 177.86 -40.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.634 -1.166 . . . . 3.9 108.995 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.455 ' CA ' ' HB2' ' B' ' 78' ' ' SER . . . 179.91 -111.39 0.31 Allowed Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.668 -0.697 . . . . 2.6 111.772 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 86.0 m -123.23 174.71 7.11 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.336 -0.246 . . . . 1.74 110.336 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 54.8 mtt180 -71.56 122.14 19.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.413 -0.358 . . . . 3.95 110.872 -175.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.94 -7.96 79.58 Favored Glycine 0 CA--C 1.517 0.18 0 C-N-CA 120.878 -0.677 . . . . 1.6 113.47 173.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' ILE . . . . . 0.44 HG22 ' H ' ' B' ' 73' ' ' SER . 50.3 mm -76.74 135.06 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.054 0.454 . . . . 1.65 111.06 -178.151 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -48.41 -47.82 37.51 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.112 -0.949 . . . . 3.32 111.401 174.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' SER . . . . . 0.44 ' H ' HG22 ' B' ' 71' ' ' ILE . 16.3 t 70.83 -2.12 2.4 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.397 -0.819 . . . . 4.63 112.672 169.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -99.06 -40.79 7.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.174 0.511 . . . . 3.06 109.735 178.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -91.89 -2.2 56.94 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.799 -0.637 . . . . 3.51 110.232 177.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . 19.7 m-90 -146.04 136.47 23.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 3.17 111.165 -176.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' ASN . . . . . 0.448 ' H ' ' C ' ' B' ' 113' ' ' SER . 86.0 m-20 -88.19 140.95 28.96 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.253 -1.388 . . . . 2.7 107.253 164.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.665 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 5.9 m -117.75 143.05 46.59 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.799 0.333 . . . . 1.93 111.262 -173.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 79' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' B' ' 61' ' ' SER . 78.9 t80 -152.02 134.0 14.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.072 -0.513 . . . . 3.73 109.732 177.621 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 64.1 m -79.64 120.44 23.97 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.007 0.432 . . . . 1.67 110.572 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 37.4 m -125.18 132.93 52.95 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.782 -0.645 . . . . 2.25 109.553 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' B' ' 107' ' ' ALA . 3.1 p -80.62 135.03 35.98 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.119 0.485 . . . . 2.78 111.289 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 7.0 m -76.26 123.95 26.72 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 109.346 -0.613 . . . . 2.69 109.346 176.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -97.95 116.01 29.31 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.245 -0.434 . . . . 3.71 110.08 -176.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.507 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 6.8 t -111.96 157.92 20.12 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.855 -0.794 . . . . 1.48 108.855 177.665 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.453 ' CE2' ' HB3' ' B' ' 103' ' ' ARG . 96.3 m-85 -107.21 116.73 32.45 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.911 0.386 . . . . 1.75 110.437 -175.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 22.8 m -112.04 155.02 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.932 -0.576 . . . . 1.08 111.368 -176.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -81.62 106.48 13.6 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.139 -0.937 . . . . 3.82 109.815 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.24 145.63 50.98 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.41 -0.359 . . . . 1.13 111.022 -178.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 25.0 tp -80.4 115.78 20.12 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.81 -0.811 . . . . 1.45 108.81 175.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' THR . . . . . 0.403 HG22 ' HA ' ' B' ' 38' ' ' VAL . 70.8 p -125.38 148.95 48.57 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 120.678 0.275 . . . . 1.15 110.875 -175.701 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.402 HG23 ' HB ' ' B' ' 37' ' ' THR . 5.0 t -120.13 111.83 18.35 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.282 0.563 . . . . 1.32 109.794 175.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -72.92 -37.85 67.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.625 -0.716 . . . . 2.46 110.196 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -134.9 -80.19 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.173 -0.467 . . . . 3.09 110.868 177.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -125.39 -8.04 6.95 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.807 0.299 . . . . 3.3 111.807 -176.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -114.65 127.21 55.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.976 0.417 . . . . 2.74 110.961 -175.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.84 124.26 32.88 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.887 -0.597 . . . . 1.44 110.341 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -138.26 146.97 43.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.265 -0.425 . . . . 1.39 110.423 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -74.91 118.91 18.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.06 -0.518 . . . . 2.35 110.626 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 100' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' B' ' 100' ' ' ARG . 24.1 mmt180 -129.48 169.54 14.84 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.773 -0.649 . . . . 3.48 109.997 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -98.54 118.46 35.28 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.736 -0.665 . . . . 1.98 110.017 174.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 37.1 pt -113.88 144.14 22.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.883 0.373 . . . . 0.86 110.175 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.507 ' HA ' ' O ' ' B' ' 85' ' ' THR . 37.9 ptt180 -85.04 120.7 26.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.936 -0.575 . . . . 3.72 110.364 -178.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 48.9 pt -113.72 152.89 15.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 116.038 -0.528 . . . . 0.83 110.129 176.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -81.7 93.13 6.72 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.656 -0.868 . . . . 1.69 108.656 177.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 10.3 t -92.9 -16.41 25.24 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.317 0.488 . . . . 2.29 112.317 -168.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 107' ' ' ALA . . . . . 0.42 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -155.44 163.99 39.3 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.542 -0.17 . . . . 1.15 110.542 -177.649 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 42.0 t -124.78 116.02 21.63 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.897 -0.408 . . . . 1.56 109.897 177.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 19.3 m -117.1 167.18 10.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.121 -0.49 . . . . 1.08 109.963 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.665 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 47.1 t -114.63 119.78 37.91 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.715 -0.476 . . . . 1.45 109.715 176.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.448 HG11 ' HA2' ' A' ' 10' ' ' GLY . 11.9 m -84.45 146.36 6.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.935 -0.575 . . . . 1.52 109.519 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 83.0 mt -124.36 136.31 53.99 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.769 -0.372 . . . . 1.67 110.579 -179.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.448 ' C ' ' H ' ' B' ' 77' ' ' ASN . 48.4 t -179.06 109.71 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.06 -0.518 . . . . 2.62 111.054 174.31 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -100.09 -15.69 18.11 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.881 -0.785 . . . . 6.72 108.881 164.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -161.94 33.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.143 -0.935 . . . . 4.59 111.28 -168.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -121.49 131.53 54.2 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.144 -0.223 . . . . 4.5 111.181 -177.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 67.4 p 56.34 174.92 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.351 1.06 . . . . 5.74 113.177 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 118' ' ' ARG . . . . . 0.536 ' NE ' ' HA ' ' B' ' 118' ' ' ARG . 5.3 tpm_? . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.034 -0.984 . . . . 8.68 111.344 -178.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 110.02 -0.363 . . . . 13.98 110.02 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t -140.12 36.78 1.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.364 0.602 . . . . 12.75 110.231 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.2 p -87.58 86.16 7.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.064 -0.516 . . . . 11.35 110.468 177.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.0 t60 -135.92 74.9 56.28 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.937 -0.574 . . . . 10.28 110.295 -178.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -82.51 42.86 1.38 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.735 2.29 . . . . 7.63 112.304 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.433 HG12 ' O ' ' A' ' 6' ' ' VAL . 12.8 t 55.31 36.14 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 115.731 -0.668 . . . . 6.65 110.168 -179.086 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.652 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 85.9 m-85 51.61 33.61 11.04 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.753 -0.658 . . . . 7.27 111.296 -177.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 59.3 m80 62.26 12.58 5.27 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.714 -0.676 . . . . 7.72 110.911 178.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.1 ptp 42.27 37.14 0.84 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.329 1.052 . . . . 5.34 111.488 -175.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.95 -28.41 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.59 -0.732 . . . . 3.98 112.956 -176.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.652 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 13.0 pt-20 -96.86 39.03 1.19 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.562 0.696 . . . . 4.63 110.694 179.615 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.478 ' HB2' ' HB ' ' B' ' 111' ' ' VAL . 23.6 m-85 -95.86 155.33 16.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.499 -0.773 . . . . 3.65 110.425 177.106 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.2 t -150.3 147.21 27.36 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.451 -0.574 . . . . 2.42 109.451 176.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.433 HG12 HD11 ' B' ' 112' ' ' LEU . 34.5 m -69.58 -14.41 18.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.015 -0.539 . . . . 1.41 110.628 177.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.2 m -113.89 136.73 52.57 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.112 -0.949 . . . . 1.75 110.115 177.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.465 ' HB2' ' HB3' ' A' ' 60' ' ' ALA . 14.8 m-20 -65.6 114.15 4.73 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.347 -0.612 . . . . 2.87 109.347 176.456 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.5 m -118.02 135.27 54.27 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.582 -0.735 . . . . 1.72 110.502 -173.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.7 p -116.76 114.77 46.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 116.178 -0.465 . . . . 1.51 110.143 177.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.417 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 57.6 m -96.3 119.63 35.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.178 -0.465 . . . . 1.66 110.212 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.6 t -119.54 137.8 52.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.922 -0.581 . . . . 1.03 110.267 -178.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 87.8 m95 -99.04 95.45 7.14 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.466 -0.939 . . . . 1.61 108.466 171.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.518 ' HB ' ' HB2' ' A' ' 53' ' ' PHE . 41.7 t -79.17 135.66 25.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 116.042 -0.526 . . . . 0.96 109.831 -176.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -100.82 -7.67 50.16 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.554 -0.831 . . . . 1.27 112.688 -177.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.48 ' H ' HG12 ' A' ' 22' ' ' VAL . 27.2 t70 -148.55 105.12 3.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.085 0.469 . . . . 3.02 111.023 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.591 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 87.9 tttt -128.33 100.87 5.98 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.635 -0.876 . . . . 1.32 108.635 174.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 37' ' ' THR . 8.9 t -81.18 -13.32 58.71 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.797 0.666 . . . . 1.82 112.797 -168.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -143.11 136.3 28.13 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 122.234 -0.291 . . . . 1.01 111.122 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -148.14 170.2 18.35 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.005 -0.543 . . . . 0.79 110.309 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.465 ' HB ' ' HG2' ' A' ' 103' ' ' ARG . 14.4 m -103.01 120.47 40.69 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.241 -0.436 . . . . 1.02 110.37 179.266 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.437 ' OD1' ' HB3' ' A' ' 100' ' ' ARG . 12.6 t70 -67.88 159.58 30.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.959 -0.564 . . . . 1.85 109.592 176.368 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.3 tt -55.34 -27.49 20.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.962 0.41 . . . . 1.33 111.704 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -78.87 -11.65 60.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.761 0.315 . . . . 2.22 111.055 -178.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.5 25.44 10.9 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.905 -0.664 . . . . 1.25 112.372 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -102.42 144.05 31.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.7 0.286 . . . . 2.14 110.843 -179.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -87.8 115.38 25.21 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.069 -0.715 . . . . 2.19 109.069 174.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.9 m -123.05 149.3 26.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 120.951 0.405 . . . . 1.02 111.714 -175.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 26' ' ' THR . 22.4 m -82.77 109.45 16.93 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.333 -0.849 . . . . 1.04 109.743 177.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.591 ' HB ' ' O ' ' A' ' 25' ' ' LYS . 48.5 t -88.57 134.96 26.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.92 -0.582 . . . . 1.1 110.753 -175.722 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 41.7 mt -103.06 119.76 39.43 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.948 -0.569 . . . . 1.91 109.558 178.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.91 -22.03 63.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.264 0.554 . . . . 2.18 110.287 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.429 ' OE1' ' HB3' ' A' ' 50' ' ' ARG . 11.6 mm-40 -105.29 115.55 30.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.914 -1.039 . . . . 3.59 108.524 176.154 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.51 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 20.3 m -101.87 127.99 54.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 C-N-CA 120.638 -0.425 . . . . 2.4 110.494 -178.138 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -102.98 117.31 34.31 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.531 0.682 . . . . 3.25 110.592 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 52.4 mt -118.06 88.31 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.554 -0.748 . . . . 2.77 109.243 175.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 64.23 53.97 1.68 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.85 -0.614 . . . . 3.84 110.036 -178.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.2 m120 73.44 -12.12 0.85 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.055 -0.975 . . . . 4.76 112.115 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.5 m -84.49 113.89 21.54 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.079 -0.712 . . . . 3.33 109.079 175.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.51 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 41.9 t -112.84 130.06 67.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.106 -0.497 . . . . 2.37 110.715 -175.477 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.431 ' O ' HG22 ' A' ' 42' ' ' VAL . 49.8 p90 -139.04 154.22 48.19 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.0 -0.741 . . . . 4.13 109.0 172.416 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.429 ' HB3' ' OE1' ' A' ' 41' ' ' GLU . 35.7 ptt180 -97.1 153.58 17.87 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.209 0.528 . . . . 4.84 111.355 -173.625 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -117.68 158.25 25.03 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.562 -0.745 . . . . 4.56 109.908 176.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -117.51 138.3 51.98 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.313 -0.625 . . . . 2.46 109.313 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.518 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 28.5 m-85 -98.7 109.4 22.16 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.847 -0.427 . . . . 1.16 109.847 -179.257 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -84.24 99.08 10.33 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.09 -0.504 . . . . 3.56 109.955 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 23.8 mt-10 -112.58 112.09 23.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.093 -0.503 . . . . 1.49 110.642 -178.326 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.417 ' HA ' ' HA ' ' A' ' 19' ' ' SER . 46.4 m -99.42 108.74 21.29 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.175 -0.676 . . . . 1.07 109.175 174.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -110.26 152.23 26.39 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.285 0.564 . . . . 2.48 111.505 -171.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 51.4 m -83.56 93.26 7.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.198 -0.91 . . . . 1.73 109.64 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -70.19 -22.6 62.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.004 0.43 . . . . 3.48 110.303 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.465 ' HB3' ' HB2' ' A' ' 16' ' ' ASP . . . -134.25 103.01 5.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.74 -0.664 . . . . 2.58 109.552 173.466 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.433 ' HA ' ' HB2' ' A' ' 80' ' ' CYS . 26.2 t -74.39 -26.72 60.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.04 0.448 . . . . 2.76 109.976 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -132.85 82.37 55.73 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.813 -0.63 . . . . 2.59 109.54 175.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.427 ' HG2' ' HA ' ' A' ' 68' ' ' CYS . 11.2 Cg_endo -56.51 -33.7 93.18 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.476 2.117 . . . . 2.57 112.291 178.53 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.2 m -109.78 -177.3 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.383 0 C-N-CA 121.066 -0.253 . . . . 2.53 110.579 176.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -49.88 -41.81 46.45 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 113.089 0.774 . . . . 4.19 113.089 -173.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.2 m -150.05 53.13 0.91 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 121.966 -0.459 . . . . 3.9 111.903 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.404 ' HA3' ' HB3' ' A' ' 78' ' ' SER . . . 150.82 -150.21 22.17 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 119.751 -1.214 . . . . 2.6 113.147 174.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.427 ' HA ' ' HG2' ' A' ' 63' ' ' PRO . 36.1 m -94.01 166.02 12.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.689 0.281 . . . . 1.73 110.617 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -69.78 122.2 18.74 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.407 -0.36 . . . . 3.94 110.745 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 103.26 -25.93 25.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.034 -0.603 . . . . 1.61 112.266 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 51.2 mm -74.19 135.76 26.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.854 0.359 . . . . 1.65 111.378 -176.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -86.24 105.63 16.75 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.456 -0.572 . . . . 3.32 109.456 176.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.492 ' HA ' ' O ' ' A' ' 76' ' ' TRP . 30.2 m -60.81 -21.99 63.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.038 -0.528 . . . . 4.63 111.841 -176.464 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -76.17 -28.59 57.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.526 -0.307 . . . . 3.06 111.134 178.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.526 ' O ' ' HB3' ' A' ' 114' ' ' ARG . 19.4 m-70 -95.99 -26.47 15.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.468 -0.333 . . . . 3.51 110.946 179.525 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.492 ' O ' ' HA ' ' A' ' 73' ' ' SER . 93.5 m95 -143.31 128.27 18.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 3.17 110.874 -179.133 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.404 ' HB3' ' O ' ' A' ' 113' ' ' SER . 23.4 t-20 -81.58 134.16 35.47 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 106.489 -1.671 . . . . 2.69 106.489 167.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.404 ' HB3' ' HA3' ' A' ' 67' ' ' GLY . 46.8 t -139.98 148.26 41.64 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.209 -0.596 . . . . 1.93 112.369 -165.164 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.553 ' O ' HG22 ' A' ' 111' ' ' VAL . 38.8 p90 -165.37 160.28 17.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.995 -1.002 . . . . 3.73 108.63 172.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.433 ' HB2' ' HA ' ' A' ' 61' ' ' SER . 33.5 m -99.81 133.19 44.52 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.456 -0.338 . . . . 1.67 110.798 -177.343 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.8 t -131.84 147.51 52.49 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.847 -0.615 . . . . 2.24 109.584 -178.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.3 p -84.5 144.46 28.7 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.12 0.486 . . . . 2.78 111.969 -176.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 17.2 m -97.79 128.16 44.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.829 -0.623 . . . . 2.69 109.574 175.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 18.1 p-80 -104.11 135.69 45.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.914 0.388 . . . . 3.71 111.086 -176.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.589 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 13.9 t -116.06 171.28 7.9 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.707 -0.849 . . . . 1.48 108.707 175.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.404 ' HA ' ' O ' ' A' ' 102' ' ' ILE . 88.9 m-85 -117.47 116.99 28.24 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.992 0.425 . . . . 1.75 110.942 -174.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.1 m -111.66 149.37 14.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.803 -0.635 . . . . 1.08 111.11 -177.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -75.61 114.9 14.72 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.769 -0.65 . . . . 3.82 110.445 179.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.89 146.68 50.55 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.175 -0.466 . . . . 1.13 110.446 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 28.9 tp -82.13 109.18 16.2 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.464 -0.939 . . . . 1.45 108.464 175.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 76.9 p -115.84 162.34 17.46 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 116.107 -0.497 . . . . 1.14 111.062 -175.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.9 t -136.32 137.71 40.93 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 109.617 -0.512 . . . . 1.32 109.617 175.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -103.69 -10.5 18.31 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.881 0.372 . . . . 2.47 110.332 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.524 ' HG3' ' H ' ' A' ' 95' ' ' LYS . 7.0 pt-20 -162.26 -58.81 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.934 -0.576 . . . . 3.09 110.905 176.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.524 ' H ' ' HG3' ' A' ' 94' ' ' GLU . 99.7 mttt -145.6 -54.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.771 0.319 . . . . 3.29 110.97 -177.525 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 30.1 tp60 -68.55 112.33 5.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.303 -0.408 . . . . 2.74 111.071 -178.286 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.88 137.49 43.74 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.947 -0.57 . . . . 1.44 110.2 177.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.76 151.25 37.66 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.25 -0.432 . . . . 1.38 110.542 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -81.87 121.6 26.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.169 -0.469 . . . . 2.35 111.058 -178.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.437 ' HB3' ' OD1' ' A' ' 30' ' ' ASP . 24.9 mmt180 -128.33 176.54 7.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.849 -0.614 . . . . 3.48 110.318 179.128 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -113.94 112.79 23.9 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.234 -0.654 . . . . 1.98 109.234 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 42.6 pt -113.2 146.82 17.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.134 0.492 . . . . 0.86 111.007 -174.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.589 ' HA ' ' O ' ' A' ' 85' ' ' THR . 12.5 ptm180 -78.45 131.23 36.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.505 -0.771 . . . . 3.71 111.16 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 44.5 pt -127.37 136.01 61.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.686 -0.688 . . . . 0.83 109.252 168.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.47 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 10.1 m-20 -75.67 105.78 6.89 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.278 -0.638 . . . . 1.69 109.278 178.312 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.0 t -103.84 -8.82 19.46 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.778 -0.646 . . . . 2.29 112.13 -167.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -156.92 164.39 38.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.585 0.231 . . . . 1.14 111.135 -178.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 46.9 t -126.95 120.52 29.31 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.448 -0.575 . . . . 1.56 109.448 178.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 25.2 m -117.62 160.57 17.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.832 0.349 . . . . 1.07 111.065 -175.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 41.7 t -106.42 122.2 45.8 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.972 -0.558 . . . . 1.45 110.542 -178.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.553 HG22 ' O ' ' A' ' 79' ' ' TYR . 14.7 m -94.69 148.39 5.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 C-N-CA 121.117 -0.233 . . . . 1.52 110.629 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.417 HD11 HG12 ' B' ' 14' ' ' VAL . 67.8 mt -128.07 136.7 51.57 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.864 -0.421 . . . . 1.67 109.864 176.291 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 77' ' ' ASN . 11.6 p -177.01 87.54 0.03 OUTLIER 'General case' 0 C--O 1.219 -0.5 0 N-CA-C 112.182 0.438 . . . . 2.62 112.182 175.589 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.526 ' HB3' ' O ' ' A' ' 75' ' ' HIS . 6.9 tpm_? -103.16 -42.08 5.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.009 -1.057 . . . . 6.73 109.924 162.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -104.43 10.61 35.2 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.511 -0.768 . . . . 4.59 110.469 -175.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -99.93 -21.36 15.71 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.759 -0.655 . . . . 4.5 110.167 178.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 15.9 p -72.73 167.25 21.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.818 -0.628 . . . . 5.74 110.88 -178.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.496 ' HA ' ' HE ' ' A' ' 118' ' ' ARG . 1.5 mmp_? . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.3 -0.857 . . . . 8.67 109.847 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 109.861 -0.422 . . . . 13.98 109.861 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -139.88 36.7 1.97 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.202 0.525 . . . . 12.76 110.325 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 10.8 p -87.6 86.08 7.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.161 -0.472 . . . . 11.36 110.413 178.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -135.8 74.57 57.81 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.091 -0.504 . . . . 10.29 110.32 -178.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -82.33 42.85 1.38 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.848 2.365 . . . . 7.63 112.117 -178.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' VAL . . . . . 0.431 ' O ' HG12 ' B' ' 6' ' ' VAL . 12.6 t 55.2 36.18 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 115.776 -0.647 . . . . 6.65 110.314 -178.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' PHE . . . . . 0.664 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 84.2 m-85 51.71 33.46 11.08 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.75 -0.659 . . . . 7.27 111.297 -177.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 59.7 m80 62.28 12.51 5.24 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.721 -0.672 . . . . 7.72 110.948 178.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 22.1 ptp 42.35 36.94 0.82 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.374 1.07 . . . . 5.34 111.568 -175.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.61 -28.69 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.605 -0.725 . . . . 3.98 112.902 -177.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.664 ' HG2' ' O ' ' B' ' 7' ' ' PHE . 13.0 pt-20 -96.41 38.86 1.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.558 0.694 . . . . 4.62 110.77 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' PHE . . . . . 0.494 ' HB2' ' HB ' ' A' ' 111' ' ' VAL . 23.6 m-85 -95.74 155.29 16.81 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.58 -0.736 . . . . 3.65 110.438 177.186 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 37.2 t -150.51 146.81 26.84 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.443 -0.576 . . . . 2.42 109.443 176.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.417 HG12 HD11 ' A' ' 112' ' ' LEU . 34.6 m -69.03 -14.89 19.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 115.95 -0.568 . . . . 1.41 110.502 178.085 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 81.8 m -113.18 136.77 52.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.266 -0.879 . . . . 1.75 110.116 177.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' ASP . . . . . 0.487 ' HB2' ' HB3' ' B' ' 60' ' ' ALA . 14.3 m-20 -65.77 113.82 4.59 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 109.314 -0.624 . . . . 2.87 109.314 176.222 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 19.2 m -117.54 135.95 53.59 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.543 -0.753 . . . . 1.72 110.449 -174.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 3.7 p -117.42 114.8 46.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.092 0.473 . . . . 1.51 110.132 176.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.408 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 61.4 m -96.03 119.62 34.85 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.147 -0.478 . . . . 1.66 110.228 179.242 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 59.9 t -119.37 137.84 52.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 116.041 -0.527 . . . . 1.03 110.314 -178.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 87.4 m95 -99.22 95.59 7.18 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.477 -0.935 . . . . 1.61 108.477 171.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.496 ' HB ' ' HB2' ' B' ' 53' ' ' PHE . 41.8 t -79.09 135.56 25.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.855 -0.611 . . . . 0.96 109.827 -176.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -100.75 -7.61 50.45 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.544 -0.836 . . . . 1.27 112.597 -177.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.475 ' H ' HG12 ' B' ' 22' ' ' VAL . 24.3 t70 -148.68 105.52 3.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.898 0.38 . . . . 3.01 111.096 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.571 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 88.1 tttt -128.72 100.87 5.88 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.641 -0.874 . . . . 1.32 108.641 174.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.425 ' O ' ' HA ' ' B' ' 37' ' ' THR . 9.3 t -81.3 -13.3 58.58 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.713 0.634 . . . . 1.82 112.713 -168.456 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.2 p -143.07 135.94 27.83 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.769 0.318 . . . . 1.0 111.157 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.83 169.76 19.1 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.974 -0.557 . . . . 0.79 110.344 177.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' THR . . . . . 0.454 ' HB ' ' HG2' ' B' ' 103' ' ' ARG . 12.9 m -102.46 120.23 40.16 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.152 -0.476 . . . . 1.01 110.496 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ASP . . . . . 0.437 ' OD1' ' HB3' ' B' ' 100' ' ' ARG . 12.7 t70 -67.73 159.82 29.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.88 -0.6 . . . . 1.84 109.66 176.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 11.3 tt -55.26 -28.27 21.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.883 0.373 . . . . 1.33 111.513 -179.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -78.46 -11.61 59.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.322 -0.399 . . . . 2.22 110.996 -177.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.45 25.61 10.78 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.823 -0.703 . . . . 1.25 112.217 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -102.44 143.65 31.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.553 0.216 . . . . 2.14 110.853 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -87.25 115.53 24.71 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.035 -0.728 . . . . 2.19 109.035 174.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 18.4 m -123.12 149.19 26.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 120.916 0.388 . . . . 1.01 111.657 -175.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' B' ' 26' ' ' THR . 21.0 m -82.62 109.74 17.07 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.393 -0.822 . . . . 1.04 109.635 177.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.571 ' HB ' ' O ' ' B' ' 25' ' ' LYS . 48.6 t -88.77 135.04 26.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.939 -0.573 . . . . 1.1 110.734 -175.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 42.5 mt -103.27 119.68 39.33 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.525 -0.546 . . . . 1.91 109.525 178.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.0 -21.85 63.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.225 0.536 . . . . 2.18 110.218 179.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.425 ' OE1' ' HB3' ' B' ' 50' ' ' ARG . 10.9 mm-40 -105.14 115.44 30.27 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.935 -1.029 . . . . 3.59 108.535 176.035 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.507 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 20.1 m -102.01 128.08 54.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 120.529 -0.469 . . . . 2.39 110.453 -178.242 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -102.92 117.42 34.57 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.424 0.63 . . . . 3.25 110.612 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 52.2 mt -118.11 88.68 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.638 -0.71 . . . . 2.77 109.159 175.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 63.96 54.03 1.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.697 -0.683 . . . . 3.84 110.033 -178.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 15.4 m120 73.48 -12.29 0.84 Allowed 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 114.993 -1.003 . . . . 4.76 112.254 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 30.2 m -84.25 113.8 21.37 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.028 -0.73 . . . . 3.33 109.028 175.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.507 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 41.7 t -112.96 129.38 68.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.105 -0.498 . . . . 2.38 110.857 -175.521 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' PHE . . . . . 0.422 ' O ' HG22 ' B' ' 42' ' ' VAL . 49.8 p90 -138.54 154.36 48.75 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.019 -0.734 . . . . 4.13 109.019 172.494 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.425 ' HB3' ' OE1' ' B' ' 41' ' ' GLU . 35.2 ptt180 -97.45 153.33 18.19 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.107 0.48 . . . . 4.84 111.319 -173.453 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -117.32 158.11 24.96 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.644 -0.707 . . . . 4.56 109.96 176.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -117.48 138.4 51.89 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.28 -0.637 . . . . 2.45 109.28 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' PHE . . . . . 0.496 ' HB2' ' HB ' ' B' ' 22' ' ' VAL . 28.4 m-85 -98.83 109.48 22.23 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.883 -0.414 . . . . 1.16 109.883 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -84.2 99.13 10.33 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.971 -0.559 . . . . 3.56 109.962 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' GLU . . . . . 0.464 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 23.8 mt-10 -112.69 112.29 23.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.134 -0.485 . . . . 1.49 110.608 -178.303 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.408 ' HA ' ' HA ' ' B' ' 19' ' ' SER . 48.5 m -99.61 108.66 21.11 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.095 -0.706 . . . . 1.07 109.095 175.032 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -110.2 152.35 26.19 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.031 -0.531 . . . . 2.48 111.462 -171.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 45.7 m -83.55 93.11 7.77 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.283 -0.872 . . . . 1.73 109.578 178.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -69.87 -23.28 63.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.175 0.512 . . . . 3.49 110.28 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.487 ' HB3' ' HB2' ' B' ' 16' ' ' ASP . . . -133.77 102.98 5.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.761 -0.654 . . . . 2.58 109.577 173.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 61' ' ' SER . . . . . 0.456 ' HA ' ' HB2' ' B' ' 80' ' ' CYS . 26.1 t -74.54 -26.53 60.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.214 0.531 . . . . 2.76 110.06 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -132.92 82.32 55.53 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.722 -0.672 . . . . 2.59 109.709 175.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' PRO . . . . . 0.432 ' HG2' ' HA ' ' B' ' 68' ' ' CYS . 11.3 Cg_endo -56.44 -33.68 92.74 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.507 2.138 . . . . 2.57 112.315 178.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 35.4 m -109.86 -177.9 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.705 -0.225 . . . . 2.53 110.554 176.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -49.44 -41.73 40.83 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.244 0.831 . . . . 4.2 113.244 -173.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 48.8 m -149.99 53.1 0.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 O-C-N 122.061 -0.399 . . . . 3.9 111.877 -177.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.93 -150.04 21.95 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 119.852 -1.166 . . . . 2.6 113.147 174.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.432 ' HA ' ' HG2' ' B' ' 63' ' ' PRO . 35.6 m -93.99 166.15 12.3 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.73 0.312 . . . . 1.74 110.613 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -69.83 121.96 18.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.349 -0.387 . . . . 3.95 110.624 -177.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 103.62 -26.2 24.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.967 -0.635 . . . . 1.6 112.408 178.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 51.4 mm -74.37 135.35 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.861 0.362 . . . . 1.65 111.429 -176.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -85.77 105.59 16.41 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.425 -0.583 . . . . 3.32 109.425 176.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' SER . . . . . 0.478 ' HA ' ' O ' ' B' ' 76' ' ' TRP . 35.2 m -60.26 -22.34 62.96 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.19 -0.459 . . . . 4.63 111.835 -176.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -76.03 -28.65 57.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.679 0.276 . . . . 3.06 111.014 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' HIS . . . . . 0.546 ' O ' ' HB3' ' B' ' 114' ' ' ARG . 20.1 m-70 -95.81 -27.01 15.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.845 0.355 . . . . 3.51 110.869 179.481 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 76' ' ' TRP . . . . . 0.478 ' O ' ' HA ' ' B' ' 73' ' ' SER . 93.8 m95 -142.99 128.08 18.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 3.17 110.908 -178.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 77' ' ' ASN . . . . . 0.415 ' HB3' ' O ' ' B' ' 113' ' ' SER . 23.7 t-20 -81.59 134.25 35.47 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 106.533 -1.655 . . . . 2.7 106.533 167.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 47.3 t -140.15 148.03 41.04 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.432 0.634 . . . . 1.93 112.263 -164.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' TYR . . . . . 0.546 ' O ' HG22 ' B' ' 111' ' ' VAL . 38.4 p90 -165.16 160.32 18.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.805 -1.089 . . . . 3.73 108.727 172.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.456 ' HB2' ' HA ' ' B' ' 61' ' ' SER . 33.5 m -99.84 133.48 44.14 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.495 -0.321 . . . . 1.67 110.804 -177.412 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 13.6 t -132.24 147.61 52.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.818 -0.628 . . . . 2.25 109.673 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.5 p -84.89 144.05 28.63 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.121 0.486 . . . . 2.78 111.945 -176.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 15.9 m -97.34 128.19 43.95 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.823 -0.626 . . . . 2.69 109.633 175.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 17.7 p-80 -104.25 135.69 45.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.008 0.432 . . . . 3.71 111.009 -176.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.593 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 14.0 t -116.06 171.4 7.82 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.646 -0.872 . . . . 1.48 108.646 175.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.405 ' HA ' ' O ' ' B' ' 102' ' ' ILE . 88.6 m-85 -117.6 116.77 27.75 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.027 0.441 . . . . 1.75 110.853 -174.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 23.1 m -111.58 149.41 14.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.857 -0.611 . . . . 1.08 111.048 -177.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -75.7 114.96 14.88 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.89 -0.595 . . . . 3.82 110.41 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.81 146.87 50.46 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.18 -0.463 . . . . 1.13 110.379 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 29.4 tp -82.44 109.31 16.56 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 108.431 -0.952 . . . . 1.45 108.431 175.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 77.0 p -115.73 162.3 17.47 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 116.222 -0.444 . . . . 1.15 111.136 -175.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 7.9 t -136.13 137.77 41.33 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 109.706 -0.479 . . . . 1.32 109.706 175.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -103.85 -10.27 18.35 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.309 -0.405 . . . . 2.46 110.226 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 94' ' ' GLU . . . . . 0.514 ' HG3' ' H ' ' B' ' 95' ' ' LYS . 6.8 pt-20 -162.78 -58.27 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.024 -0.534 . . . . 3.09 111.051 177.062 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 95' ' ' LYS . . . . . 0.514 ' H ' ' HG3' ' B' ' 94' ' ' GLU . 99.6 mttt -145.93 -54.38 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.635 0.255 . . . . 3.3 110.967 -177.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -68.51 112.44 5.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 2.74 111.112 -178.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.22 137.19 42.9 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.876 -0.602 . . . . 1.44 110.11 177.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.49 150.91 37.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.282 -0.417 . . . . 1.39 110.348 -178.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -81.62 121.77 26.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.231 -0.441 . . . . 2.35 111.166 -178.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 100' ' ' ARG . . . . . 0.437 ' HB3' ' OD1' ' B' ' 30' ' ' ASP . 24.7 mmt180 -128.45 176.52 7.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.906 -0.588 . . . . 3.48 110.238 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -113.95 112.89 24.04 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.213 -0.662 . . . . 1.98 109.213 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 102' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' B' ' 86' ' ' PHE . 42.5 pt -113.16 146.88 17.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.106 0.479 . . . . 0.86 111.062 -174.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.593 ' HA ' ' O ' ' B' ' 85' ' ' THR . 12.6 ptm180 -78.29 131.55 37.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.45 -0.795 . . . . 3.72 111.152 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 44.5 pt -127.73 135.66 62.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.475 -0.784 . . . . 0.83 109.277 168.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 105' ' ' ASP . . . . . 0.464 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 10.8 m-20 -75.27 105.85 6.5 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.255 -0.646 . . . . 1.69 109.255 178.159 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 6.0 t -103.83 -8.96 19.37 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.783 -0.644 . . . . 2.29 112.138 -167.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -156.79 164.41 38.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.646 0.26 . . . . 1.15 111.116 -178.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 46.7 t -126.96 120.58 29.44 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.459 -0.571 . . . . 1.56 109.459 178.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 24.7 m -117.61 160.73 16.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.925 0.393 . . . . 1.08 111.07 -175.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 41.9 t -106.53 122.23 45.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.933 -0.576 . . . . 1.45 110.566 -178.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.546 HG22 ' O ' ' B' ' 79' ' ' TYR . 14.3 m -94.73 148.46 4.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 121.144 -0.222 . . . . 1.52 110.661 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.433 HD11 HG12 ' A' ' 14' ' ' VAL . 67.4 mt -128.19 136.71 51.47 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.811 -0.44 . . . . 1.67 109.811 176.345 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.415 ' O ' ' HB3' ' B' ' 77' ' ' ASN . 11.2 p -177.19 87.5 0.03 OUTLIER 'General case' 0 C--O 1.218 -0.579 0 N-CA-C 112.121 0.415 . . . . 2.62 112.121 175.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 114' ' ' ARG . . . . . 0.546 ' HB3' ' O ' ' B' ' 75' ' ' HIS . 7.0 tpm_? -103.12 -42.06 5.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 121.079 -1.013 . . . . 6.72 109.966 162.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -104.43 10.81 35.13 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.413 -0.812 . . . . 4.59 110.452 -175.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.17 -21.55 15.49 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.696 -0.684 . . . . 4.5 110.407 178.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 14.9 p -72.61 167.34 20.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.616 -0.72 . . . . 5.74 110.833 -178.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 118' ' ' ARG . . . . . 0.492 ' HE ' ' HA ' ' B' ' 118' ' ' ARG . 1.5 mmp_? . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.319 -0.848 . . . . 8.68 109.811 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.476 0.874 0 CA-C-O 121.195 0.521 . . . . 13.98 110.278 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m -142.14 36.85 1.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.269 0.557 . . . . 12.75 110.093 177.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.0 p -76.62 121.9 23.87 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.501 -0.772 . . . . 11.35 111.259 -177.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -134.8 85.24 36.24 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.917 -0.583 . . . . 10.28 110.009 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -78.35 46.76 2.2 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.669 2.246 . . . . 7.63 112.259 -177.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.2 t 54.03 53.43 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.664 -0.698 . . . . 6.65 109.585 -176.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.2 p90 41.64 45.55 2.95 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.295 -0.866 . . . . 7.27 112.143 -174.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 43.3 m80 61.86 23.42 13.77 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.174 -0.921 . . . . 7.72 111.805 178.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.9 ptp 40.56 45.9 2.05 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.312 1.045 . . . . 5.34 112.207 -179.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -123.79 178.57 16.39 Favored Glycine 0 N--CA 1.444 -0.802 0 CA-C-N 115.059 -0.973 . . . . 3.98 110.866 177.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 63.87 4.8 2.06 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.028 0.381 . . . . 4.63 112.028 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.412 ' HB2' ' CB ' ' B' ' 111' ' ' VAL . 22.2 m-85 -63.23 130.09 43.05 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.181 0.515 . . . . 3.65 110.518 177.578 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.2 m -126.48 118.94 25.96 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.648 -0.705 . . . . 2.42 109.667 178.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.4 m -57.38 -26.58 26.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-O 121.379 0.609 . . . . 1.41 110.226 176.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.8 t -109.63 106.67 16.44 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.367 -0.975 . . . . 1.75 108.367 169.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -55.51 115.68 2.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.206 0.527 . . . . 2.87 111.247 -173.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.437 ' HB3' ' CG2' ' A' ' 56' ' ' THR . 50.0 m -125.47 143.65 50.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.6 -0.727 . . . . 1.72 109.927 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.497 ' HB ' ' HD2' ' A' ' 59' ' ' ARG . 7.3 p -115.98 119.94 63.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.007 0.432 . . . . 1.51 110.966 -178.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.408 ' HB2' ' CE2' ' A' ' 54' ' ' PHE . 5.0 p -92.66 115.54 28.2 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.197 -0.456 . . . . 1.66 110.611 179.625 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.1 t -119.89 140.68 43.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.431 -0.349 . . . . 1.03 110.912 -176.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -93.39 96.59 10.03 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.863 -0.791 . . . . 1.61 108.863 173.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.9 t -94.82 120.53 44.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.946 -0.57 . . . . 0.96 111.425 -173.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -130.26 20.35 5.01 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 111.002 -0.839 . . . . 1.27 111.002 174.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -113.41 -20.59 11.26 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.913 0.338 . . . . 3.02 111.913 -176.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -71.59 148.29 46.76 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.517 -0.473 . . . . 1.32 110.03 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.435 ' O ' ' HA ' ' A' ' 37' ' ' THR . 14.9 t -117.11 3.88 12.71 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.47 -0.332 . . . . 1.82 111.637 -173.471 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -144.12 149.27 36.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.693 0.282 . . . . 1.01 111.429 179.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -155.73 167.69 29.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.82 -0.627 . . . . 0.79 110.366 174.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 34' ' ' LYS . 11.0 m -96.92 121.2 38.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.942 -0.572 . . . . 1.02 110.777 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -67.07 164.99 16.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.332 -0.849 . . . . 1.85 110.277 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.1 tt -61.42 -28.74 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.031 0.443 . . . . 1.33 110.838 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -79.45 -9.14 59.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 2.22 110.959 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.34 12.74 47.51 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.79 -0.719 . . . . 1.25 112.075 179.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 29' ' ' THR . 35.1 mmtp -84.87 159.94 20.26 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.832 0.349 . . . . 2.14 110.551 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -106.79 115.29 29.94 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 108.956 -0.757 . . . . 2.19 108.956 173.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.0 m -120.23 152.43 23.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-O 121.023 0.44 . . . . 1.02 111.466 -174.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 26' ' ' THR . 41.2 m -82.14 109.08 16.12 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.199 -0.909 . . . . 1.04 109.839 178.338 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.517 ' HA ' HG22 ' A' ' 91' ' ' THR . 65.0 t -86.6 125.93 40.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.818 -0.628 . . . . 1.1 111.042 -174.493 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 42.1 mt -99.32 114.57 27.51 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.972 -0.751 . . . . 1.91 108.972 176.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.443 ' O ' ' HA ' ' A' ' 50' ' ' ARG . . . -69.31 -19.2 63.88 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.359 0.6 . . . . 2.18 110.154 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.548 ' HG2' ' HG2' ' A' ' 50' ' ' ARG . 37.4 mt-10 -105.82 115.43 30.22 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.136 -0.938 . . . . 3.59 109.435 177.568 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.554 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 20.2 m -95.8 137.26 24.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.37 -0.377 . . . . 2.4 110.024 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.426 ' H ' HD22 ' A' ' 90' ' ' LEU . 25.5 m-80 -106.58 100.02 9.56 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.163 -0.471 . . . . 3.25 110.236 -176.071 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.6 mt -112.34 101.33 12.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.986 -0.376 . . . . 2.77 109.986 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 58.29 48.25 12.84 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.013 -0.54 . . . . 3.84 110.521 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.4 m120 66.92 12.99 9.27 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.678 -0.692 . . . . 4.76 111.451 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.3 t -110.66 115.77 30.16 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 109.051 -0.722 . . . . 3.33 109.051 176.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.554 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 63.9 t -96.32 130.12 45.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.948 -0.569 . . . . 2.37 111.278 -174.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.404 ' O ' HG22 ' A' ' 42' ' ' VAL . 70.4 m-85 -127.13 141.19 51.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.72 -0.673 . . . . 4.13 109.805 175.214 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.548 ' HG2' ' HG2' ' A' ' 41' ' ' GLU . 99.3 mtt180 -101.82 129.02 47.94 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.01 0.433 . . . . 4.84 110.887 -179.524 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -117.19 100.59 7.81 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.073 -0.512 . . . . 4.56 110.812 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -73.68 129.36 37.79 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.857 -0.794 . . . . 2.46 108.857 177.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -87.92 129.49 35.21 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.426 -0.352 . . . . 1.16 110.856 -174.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.408 ' CE2' ' HB2' ' A' ' 19' ' ' SER . 78.0 t80 -83.4 94.71 8.03 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.944 -0.761 . . . . 3.56 108.944 178.395 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -114.42 121.57 43.99 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.617 -0.72 . . . . 1.49 110.037 -175.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.451 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 32.0 m -98.29 122.16 41.11 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.98 -0.555 . . . . 1.07 110.286 179.31 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -103.13 151.42 22.6 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.035 -0.53 . . . . 2.48 110.161 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.8 t -86.77 106.07 17.42 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.906 -0.588 . . . . 1.73 110.026 -177.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.497 ' HD2' ' HB ' ' A' ' 18' ' ' VAL . 79.6 mtp180 -70.5 -49.54 47.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.939 -0.573 . . . . 3.48 110.517 -178.016 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -139.71 109.41 6.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.833 -0.621 . . . . 2.58 110.44 -177.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.449 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 49.9 m -83.76 -20.32 33.54 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.984 0.421 . . . . 2.76 111.23 -178.576 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -144.4 70.36 15.81 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.293 -0.412 . . . . 2.59 110.08 176.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -51.68 -35.41 57.54 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 122.761 2.307 . . . . 2.57 112.236 177.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.466 HG11 ' HG2' ' A' ' 69' ' ' ARG . 29.3 m -123.92 177.48 4.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 110.199 -0.297 . . . . 2.53 110.199 174.647 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.91 -47.89 82.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.593 0.235 . . . . 4.19 111.424 -177.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.2 p -71.22 -12.39 61.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.873 0.368 . . . . 3.9 111.446 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 78' ' ' SER . . . 123.39 -97.33 0.56 Allowed Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 121.134 -0.555 . . . . 2.6 111.802 -178.445 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 74.3 m -99.23 135.58 40.43 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.366 -0.235 . . . . 1.73 110.366 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.466 ' HG2' HG11 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -68.75 105.44 2.31 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-N 116.309 -0.405 . . . . 3.94 110.15 -175.906 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 137.47 -32.41 2.4 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.834 -0.698 . . . . 1.61 111.558 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.3 mm -63.38 140.21 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 122.586 0.354 . . . . 1.65 110.961 -179.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -68.71 107.49 3.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.875 -0.602 . . . . 3.32 109.901 178.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.1 p -75.83 -11.61 60.01 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.591 0.589 . . . . 4.63 112.591 -172.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -89.91 -35.5 15.56 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.007 0.432 . . . . 3.06 110.874 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -97.97 -30.62 12.61 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.172 -0.467 . . . . 3.51 111.199 -178.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.535 ' CE3' ' HB3' ' A' ' 112' ' ' LEU . 99.6 m95 -127.83 157.48 40.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.643 0.735 . . . . 3.17 111.799 -174.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.435 ' HB2' ' HG2' ' A' ' 115' ' ' LYS . 50.4 t30 -121.29 135.11 55.15 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.134 -1.061 . . . . 2.69 108.134 169.416 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.504 ' HB2' ' SG ' ' A' ' 110' ' ' CYS . 12.0 p -121.04 137.23 54.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.034 0.445 . . . . 1.93 111.617 -176.057 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.512 ' O ' HG22 ' A' ' 111' ' ' VAL . 49.7 p90 -153.69 160.63 42.41 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.945 -0.761 . . . . 3.73 108.945 173.398 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.791 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 73.1 m -102.35 144.03 31.36 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 112.71 0.633 . . . . 1.67 112.71 -170.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.482 ' O ' HG22 ' A' ' 109' ' ' VAL . 5.2 t -145.3 141.22 28.36 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.989 -1.005 . . . . 2.24 108.807 172.254 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 108' ' ' CYS . 19.8 p -85.97 133.93 33.9 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.127 0.489 . . . . 2.78 111.695 -174.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.439 HG23 ' OG1' ' A' ' 106' ' ' THR . 10.6 t -94.45 147.27 23.41 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.364 -0.976 . . . . 2.69 108.364 173.374 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -132.66 151.18 52.03 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.098 0.475 . . . . 3.71 112.171 -168.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.516 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 13.4 t -124.67 175.97 6.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.428 -0.805 . . . . 1.48 109.118 174.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -125.89 118.08 24.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.796 0.332 . . . . 1.75 110.11 -176.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.0 m -116.59 140.77 37.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.178 -0.465 . . . . 1.08 110.391 -178.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 18.8 pttm -82.76 123.55 29.42 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 121.67 0.748 . . . . 3.82 110.719 -179.66 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.8 156.53 43.44 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.936 -1.029 . . . . 1.13 109.502 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.426 HD22 ' H ' ' A' ' 43' ' ' ASN . 24.1 tp -75.46 104.69 6.13 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.507 -0.923 . . . . 1.45 108.507 175.047 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.517 HG22 ' HA ' ' A' ' 38' ' ' VAL . 32.7 p -125.88 158.58 34.74 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.226 -0.443 . . . . 1.14 110.122 -175.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.0 t -128.38 135.95 50.25 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.043 0.449 . . . . 1.32 110.38 176.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -95.09 -7.01 40.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.995 -0.548 . . . . 2.47 110.524 178.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -160.49 -82.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.375 -0.375 . . . . 3.09 110.3 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -138.81 7.63 2.51 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 111.77 0.285 . . . . 3.29 111.77 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -118.14 124.74 48.73 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.717 0.294 . . . . 2.74 110.314 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -88.26 130.99 34.95 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.12 -0.491 . . . . 1.44 110.798 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.78 153.5 38.24 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.252 -0.431 . . . . 1.38 110.487 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -77.2 101.86 6.38 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.237 -0.438 . . . . 2.35 110.46 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.444 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 38.2 mmt180 -111.87 154.35 25.29 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.497 -0.557 . . . . 3.48 109.497 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -90.67 117.24 29.17 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.872 0.368 . . . . 1.98 110.271 179.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 35.8 pt -112.74 149.82 15.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.086 -0.507 . . . . 0.86 110.069 -178.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.516 ' HA ' ' O ' ' A' ' 85' ' ' THR . 17.6 ptp180 -88.36 132.05 34.59 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.725 -0.67 . . . . 3.71 111.231 -174.266 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 30.5 pt -129.78 140.79 48.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.533 -0.758 . . . . 0.83 109.578 173.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -80.1 127.41 32.28 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.844 -0.428 . . . . 1.69 109.844 -178.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.439 ' OG1' HG23 ' A' ' 83' ' ' THR . 7.5 p -91.23 -29.43 17.2 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.355 -0.384 . . . . 2.29 111.388 -176.338 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -168.32 153.11 6.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.415 -0.357 . . . . 1.14 111.018 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.791 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 14.6 t -100.14 107.09 18.89 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.294 -1.002 . . . . 1.56 108.294 173.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.515 ' O ' ' HA ' ' A' ' 80' ' ' CYS . 21.4 m -89.6 142.72 12.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.149 0.499 . . . . 1.07 111.304 -171.458 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.504 ' SG ' ' HB2' ' A' ' 78' ' ' SER . 37.4 t -92.03 99.83 12.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.074 -0.966 . . . . 1.45 108.66 177.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 79' ' ' TYR . 17.5 m -85.3 152.61 3.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.33 -0.395 . . . . 1.52 110.688 -175.347 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.535 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . 85.7 mt -110.77 137.69 48.11 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.112 0.482 . . . . 1.67 110.179 178.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.4 m -126.61 155.71 42.08 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.737 -0.665 . . . . 2.62 109.407 176.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -77.81 9.61 3.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.344 -0.389 . . . . 6.73 111.68 -176.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.435 ' HG2' ' HB2' ' A' ' 77' ' ' ASN . 56.1 mtpt 71.58 32.37 2.04 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.499 0.666 . . . . 4.59 109.905 -178.078 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -155.8 145.58 21.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.886 -1.052 . . . . 4.5 109.428 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 60.3 p -104.29 174.16 5.99 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.698 -0.228 . . . . 5.74 110.661 -179.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 117.958 -1.02 . . . . 8.67 111.328 -179.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 23.9 t . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 121.102 0.477 . . . . 13.98 110.406 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -142.62 36.21 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.363 0.601 . . . . 12.76 110.091 178.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 6.5 p -76.18 121.09 22.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.561 -0.745 . . . . 11.36 111.475 -177.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 26.3 p-80 -134.06 85.25 40.45 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.83 -0.623 . . . . 10.29 109.971 177.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -78.13 46.65 2.14 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.683 2.255 . . . . 7.63 112.167 -177.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 11.8 t 54.14 53.11 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.813 -0.63 . . . . 6.65 109.569 -177.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 16.5 p90 41.85 44.99 3.05 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.338 -0.846 . . . . 7.27 112.197 -174.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 43.5 m80 62.55 23.23 13.8 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.212 -0.904 . . . . 7.72 111.793 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 12.2 ptp 40.71 45.89 2.15 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.333 1.053 . . . . 5.34 112.206 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -123.79 178.5 16.41 Favored Glycine 0 N--CA 1.444 -0.814 0 CA-C-N 115.127 -0.942 . . . . 3.98 110.911 177.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 63.91 4.97 2.14 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 112.119 0.414 . . . . 4.62 112.119 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' PHE . . . . . 0.414 ' HB2' ' CB ' ' A' ' 111' ' ' VAL . 22.0 m-85 -63.65 129.85 41.86 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 121.174 0.512 . . . . 3.65 110.456 177.607 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 20.1 m -126.32 118.91 26.05 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.512 -0.767 . . . . 2.42 109.692 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 27.4 m -57.46 -26.53 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-O 121.453 0.644 . . . . 1.41 110.329 176.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 47.5 t -109.44 106.65 16.5 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.949 -1.023 . . . . 1.75 108.372 169.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -55.57 115.69 2.47 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.155 0.502 . . . . 2.87 111.195 -173.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.426 ' HB3' ' CG2' ' B' ' 56' ' ' THR . 50.2 m -125.45 143.25 51.08 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.604 -0.725 . . . . 1.72 110.014 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.509 ' HB ' ' HD2' ' B' ' 59' ' ' ARG . 7.3 p -115.53 120.14 63.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.915 0.388 . . . . 1.51 110.891 -178.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.6 p -92.69 115.53 28.19 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.306 -0.406 . . . . 1.66 110.637 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 40.9 t -119.88 140.62 43.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.496 -0.32 . . . . 1.03 110.86 -176.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -93.21 96.11 9.8 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.952 -0.759 . . . . 1.61 108.952 173.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 45.5 t -94.67 120.41 44.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.08 -0.509 . . . . 0.96 111.347 -173.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -130.1 20.26 5.07 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 110.941 -0.864 . . . . 1.27 110.941 174.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -113.31 -20.72 11.27 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.775 0.287 . . . . 3.01 111.775 -176.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 21.8 pttm -71.7 148.0 46.86 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.499 -0.481 . . . . 1.32 110.148 -178.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' B' ' 37' ' ' THR . 14.8 t -116.56 4.08 13.2 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.391 -0.368 . . . . 1.82 111.783 -173.373 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.47 149.32 35.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.751 0.31 . . . . 1.0 111.361 179.561 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -155.87 167.69 29.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.962 -0.563 . . . . 0.79 110.299 175.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' B' ' 34' ' ' LYS . 11.8 m -96.73 121.28 38.41 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.006 -0.543 . . . . 1.01 110.774 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.9 164.95 16.36 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.309 -0.859 . . . . 1.84 110.278 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 14.1 tt -61.41 -28.83 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.93 0.395 . . . . 1.33 110.772 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -79.44 -9.01 59.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 2.22 110.867 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.96 11.32 50.11 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.684 -0.77 . . . . 1.25 112.237 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.429 ' O ' ' HA ' ' B' ' 29' ' ' THR . 35.1 mmtp -83.72 159.79 21.42 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.788 0.327 . . . . 2.14 110.499 179.172 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -106.6 115.54 30.37 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.828 -0.804 . . . . 2.19 108.828 173.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 21.6 m -120.49 152.35 23.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.071 0.462 . . . . 1.01 111.542 -175.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' THR . . . . . 0.441 ' HA ' ' O ' ' B' ' 26' ' ' THR . 39.6 m -81.83 109.16 15.96 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.22 -0.9 . . . . 1.04 109.836 178.388 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.536 ' HA ' HG22 ' B' ' 91' ' ' THR . 66.3 t -86.74 125.68 40.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.84 -0.618 . . . . 1.1 111.094 -174.56 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 41.9 mt -99.3 114.14 26.83 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.869 -0.789 . . . . 1.91 108.869 176.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.437 ' O ' ' HA ' ' B' ' 50' ' ' ARG . . . -68.86 -18.99 64.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.358 0.599 . . . . 2.18 110.341 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.536 ' HG2' ' HG2' ' B' ' 50' ' ' ARG . 37.1 mt-10 -105.78 115.51 30.35 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.16 -0.927 . . . . 3.59 109.389 177.501 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.554 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 19.9 m -95.77 137.26 24.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 110.039 -0.356 . . . . 2.39 110.039 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.415 ' H ' HD22 ' B' ' 90' ' ' LEU . 25.5 m-80 -106.57 99.87 9.42 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.15 -0.477 . . . . 3.25 110.22 -176.114 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 68.3 mt -112.29 101.11 12.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 110.09 -0.337 . . . . 2.77 110.09 178.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 58.33 48.19 12.84 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.979 -0.555 . . . . 3.84 110.535 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 18.8 m120 66.93 13.15 9.34 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.641 -0.709 . . . . 4.76 111.463 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 14.2 t -110.6 115.48 29.67 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.847 -0.797 . . . . 3.33 108.847 176.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.554 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 64.1 t -96.29 129.83 45.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.877 -0.601 . . . . 2.38 111.423 -174.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -126.72 141.13 51.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.876 -0.602 . . . . 4.13 109.902 175.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.536 ' HG2' ' HG2' ' B' ' 41' ' ' GLU . 99.3 mtt180 -101.83 129.23 47.99 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.982 0.42 . . . . 4.84 110.739 -179.517 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -117.07 100.76 7.95 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.008 -0.542 . . . . 4.56 110.738 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -73.81 129.37 37.77 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.874 -0.787 . . . . 2.45 108.874 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -88.05 129.55 35.25 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.475 -0.329 . . . . 1.16 110.835 -174.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -83.47 94.83 8.1 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.955 -0.758 . . . . 3.56 108.955 178.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -114.55 121.46 43.54 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.517 -0.765 . . . . 1.49 109.927 -175.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 31.4 m -98.27 122.3 41.26 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.964 -0.562 . . . . 1.07 110.279 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -103.16 151.46 22.57 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.909 -0.587 . . . . 2.48 110.217 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 4.9 t -86.74 105.79 17.22 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.824 -0.625 . . . . 1.73 110.107 -177.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' ARG . . . . . 0.509 ' HD2' ' HB ' ' B' ' 18' ' ' VAL . 79.9 mtp180 -70.4 -49.21 51.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.917 -0.583 . . . . 3.49 110.666 -177.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -139.98 109.65 6.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.873 -0.603 . . . . 2.58 110.452 -177.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' SER . . . . . 0.453 ' HA ' ' SG ' ' B' ' 80' ' ' CYS . 51.0 m -84.19 -19.89 33.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.364 -0.38 . . . . 2.76 111.102 -178.333 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -144.78 70.19 15.03 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.189 -0.46 . . . . 2.59 110.081 177.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo -51.48 -35.8 56.79 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 122.797 2.331 . . . . 2.57 112.158 177.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' VAL . . . . . 0.468 HG11 ' HG2' ' B' ' 69' ' ' ARG . 28.9 m -123.65 177.47 4.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.39 -0.368 . . . . 2.53 110.262 174.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -61.79 -48.38 80.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.815 0.34 . . . . 4.2 111.443 -177.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 11.3 p -71.28 -11.72 61.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.507 -0.315 . . . . 3.9 111.551 -177.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.16 -97.52 0.58 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 121.032 -0.604 . . . . 2.6 111.765 -178.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 74.3 m -98.99 135.32 40.56 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.595 0.236 . . . . 1.74 110.484 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' ARG . . . . . 0.468 ' HG2' HG11 ' B' ' 64' ' ' VAL . 0.0 OUTLIER -68.29 105.47 2.14 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.32 -0.4 . . . . 3.95 110.213 -175.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 137.47 -32.49 2.39 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.75 -0.738 . . . . 1.6 111.507 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 49.2 mm -63.18 140.07 20.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 O-C-N 123.863 0.39 . . . . 1.65 111.057 -179.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -68.57 107.55 2.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.936 -0.575 . . . . 3.32 109.908 178.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 5.8 p -75.58 -12.11 60.15 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.651 0.611 . . . . 4.63 112.651 -172.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -89.84 -35.45 15.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.811 0.339 . . . . 3.06 110.831 -177.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -97.77 -30.8 12.58 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.235 -0.438 . . . . 3.51 111.23 -178.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' TRP . . . . . 0.534 ' CE3' ' HB3' ' B' ' 112' ' ' LEU . 99.6 m95 -127.69 157.66 39.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.622 0.725 . . . . 3.17 111.876 -174.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 77' ' ' ASN . . . . . 0.43 ' HB2' ' HG2' ' B' ' 115' ' ' LYS . 49.3 t30 -121.28 135.15 55.15 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.814 -1.085 . . . . 2.7 108.205 169.392 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.503 ' HB2' ' SG ' ' B' ' 110' ' ' CYS . 12.0 p -121.06 137.57 54.59 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.054 0.454 . . . . 1.93 111.727 -176.228 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 79' ' ' TYR . . . . . 0.505 ' O ' HG22 ' B' ' 111' ' ' VAL . 49.3 p90 -154.03 160.64 42.1 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.934 -0.765 . . . . 3.73 108.934 173.384 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.783 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 73.3 m -102.37 143.84 31.62 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 112.749 0.648 . . . . 1.67 112.749 -170.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.466 ' O ' HG22 ' B' ' 109' ' ' VAL . 5.0 t -145.12 141.14 28.52 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.988 -1.005 . . . . 2.25 108.747 172.329 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' B' ' 108' ' ' CYS . 19.8 p -85.79 133.86 33.96 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.927 0.394 . . . . 2.78 111.787 -175.173 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 83' ' ' THR . . . . . 0.44 HG23 ' OG1' ' B' ' 106' ' ' THR . 9.9 t -94.2 147.09 23.52 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.338 -0.986 . . . . 2.69 108.338 173.245 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -132.25 151.58 51.75 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.056 0.455 . . . . 3.71 112.118 -168.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.527 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 13.6 t -125.05 176.03 6.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.335 -0.848 . . . . 1.48 109.085 174.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -125.94 118.15 24.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.852 0.358 . . . . 1.75 110.176 -177.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 19.1 m -116.63 140.7 37.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.191 -0.459 . . . . 1.08 110.411 -178.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' LYS . . . . . 0.446 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 18.9 pttm -82.72 123.59 29.44 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.615 0.721 . . . . 3.82 110.675 -179.535 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.74 156.52 43.4 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.003 -0.999 . . . . 1.13 109.462 177.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.415 HD22 ' H ' ' B' ' 43' ' ' ASN . 24.0 tp -75.43 104.7 6.1 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.565 -0.902 . . . . 1.45 108.565 174.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 91' ' ' THR . . . . . 0.536 HG22 ' HA ' ' B' ' 38' ' ' VAL . 33.4 p -125.97 158.78 34.38 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.229 -0.441 . . . . 1.15 110.099 -175.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 11.5 t -128.75 135.76 49.64 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.018 0.437 . . . . 1.32 110.228 176.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -94.76 -7.54 40.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.984 -0.553 . . . . 2.46 110.561 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -160.16 -81.45 0.05 OUTLIER 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.289 -0.414 . . . . 3.09 110.468 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -139.35 7.4 2.38 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 111.719 0.266 . . . . 3.3 111.719 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -117.89 125.24 50.11 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.764 0.316 . . . . 2.74 110.256 178.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -88.64 130.56 35.26 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.323 -0.399 . . . . 1.44 110.764 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.46 153.33 38.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.183 -0.462 . . . . 1.39 110.42 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -76.98 101.72 6.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.231 -0.441 . . . . 2.35 110.579 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 100' ' ' ARG . . . . . 0.446 ' O ' ' HA ' ' B' ' 88' ' ' LYS . 38.2 mmt180 -111.8 154.36 25.19 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.485 -0.561 . . . . 3.48 109.485 -179.149 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -90.81 117.03 29.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.417 -0.356 . . . . 1.98 110.321 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 35.0 pt -112.64 149.88 15.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.106 -0.497 . . . . 0.86 109.94 -178.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.527 ' HA ' ' O ' ' B' ' 85' ' ' THR . 17.6 ptp180 -88.3 132.2 34.49 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.68 -0.691 . . . . 3.72 111.269 -174.345 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 30.4 pt -129.97 140.76 48.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.619 -0.719 . . . . 0.83 109.532 173.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -80.11 127.18 32.0 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.974 -0.38 . . . . 1.69 109.974 -178.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 106' ' ' THR . . . . . 0.44 ' OG1' HG23 ' B' ' 83' ' ' THR . 7.3 p -91.22 -29.2 17.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.438 -0.347 . . . . 2.29 111.412 -176.152 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -168.46 152.97 6.07 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.462 -0.336 . . . . 1.15 110.976 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 108' ' ' CYS . . . . . 0.783 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 14.4 t -99.94 106.89 18.75 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.29 -1.004 . . . . 1.56 108.29 173.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.513 ' O ' ' HA ' ' B' ' 80' ' ' CYS . 21.5 m -89.4 142.87 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.118 0.485 . . . . 1.08 111.418 -171.556 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.503 ' SG ' ' HB2' ' B' ' 78' ' ' SER . 37.3 t -92.04 99.97 12.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.142 -0.935 . . . . 1.45 108.753 177.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.505 HG22 ' O ' ' B' ' 79' ' ' TYR . 17.7 m -85.35 152.61 3.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.327 -0.397 . . . . 1.52 110.542 -175.218 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.534 ' HB3' ' CE3' ' B' ' 76' ' ' TRP . 85.4 mt -110.76 137.74 48.04 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 121.047 0.451 . . . . 1.67 110.292 178.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 22.4 m -126.82 155.62 42.6 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.665 -0.698 . . . . 2.62 109.522 176.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -77.76 9.63 3.33 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.304 -0.407 . . . . 6.72 111.762 -176.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 115' ' ' LYS . . . . . 0.43 ' HG2' ' HB2' ' B' ' 77' ' ' ASN . 56.0 mtpt 71.32 33.02 2.03 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.575 0.702 . . . . 4.59 109.941 -177.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -156.46 145.26 20.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.879 -1.055 . . . . 4.5 109.379 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 53.1 p -103.98 174.51 5.84 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.616 0.246 . . . . 5.74 110.759 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.927 0 CA-C-O 117.907 -1.044 . . . . 8.68 111.093 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.2 m . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 110.49 -0.189 . . . . 13.98 110.49 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.2 p 66.96 -36.3 0.27 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.161 1.384 . . . . 12.75 113.555 176.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.8 m -62.37 -41.96 99.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.026 0.441 . . . . 11.35 110.651 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -146.38 84.75 7.68 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.945 -0.571 . . . . 10.28 109.472 177.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -73.67 61.65 4.52 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.772 2.314 . . . . 7.63 112.072 -178.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.504 ' HB ' ' HA ' ' A' ' 9' ' ' MET . 6.7 t 57.6 23.15 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 115.388 -0.824 . . . . 6.65 110.261 -178.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 53.5 t80 60.96 60.65 1.79 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.517 -0.765 . . . . 7.27 109.668 -176.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' A' ' 9' ' ' MET . 54.0 m-70 63.17 36.45 12.04 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.673 -0.694 . . . . 7.72 110.294 -178.15 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.504 ' HA ' ' HB ' ' A' ' 6' ' ' VAL . 79.8 mtp 71.25 -10.21 0.81 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.382 0.673 . . . . 5.34 111.417 -173.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.0 117.66 3.92 Favored Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 111.279 -0.729 . . . . 3.98 111.279 -175.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.45 ' HB2' HG21 ' B' ' 109' ' ' VAL . 5.4 pt-20 -75.22 73.68 2.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.763 0.792 . . . . 4.63 110.287 178.104 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -58.3 132.14 52.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.495 -1.229 . . . . 3.65 111.511 -178.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.2 m -103.3 134.23 47.05 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.467 -0.788 . . . . 2.42 109.358 175.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.3 m -62.37 -18.02 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 121.09 0.472 . . . . 1.41 111.132 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.2 t -125.29 126.99 45.99 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.196 -1.038 . . . . 1.75 108.196 171.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -54.1 115.01 1.82 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.381 0.61 . . . . 2.87 112.282 -171.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.4 m -128.22 145.54 51.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.262 -0.881 . . . . 1.72 109.824 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -117.52 122.28 69.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.889 0.376 . . . . 1.51 110.625 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.421 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 4.6 p -94.77 113.97 25.8 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.181 0.515 . . . . 1.66 110.565 179.008 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.9 t -119.58 138.33 50.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.146 -0.479 . . . . 1.03 110.901 -177.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -97.12 96.13 8.24 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.173 -0.677 . . . . 1.61 109.173 172.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.2 t -83.43 108.57 16.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.927 -0.578 . . . . 0.96 110.45 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.3 6.78 56.1 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.672 -0.775 . . . . 1.27 111.87 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -137.85 42.39 2.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.762 0.315 . . . . 3.02 110.798 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -76.29 130.31 37.96 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.797 -0.445 . . . . 1.32 109.797 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 37' ' ' THR . 8.8 t -115.99 -17.19 10.99 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.507 0.558 . . . . 1.82 112.507 -175.404 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.7 p -137.59 141.76 41.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.875 -0.516 . . . . 1.01 111.652 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.417 ' HB1' ' HB ' ' A' ' 102' ' ' ILE . . . -154.64 163.78 39.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.988 -0.551 . . . . 0.79 110.454 174.342 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.4 m -103.2 121.03 41.83 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.136 -0.483 . . . . 1.02 110.686 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.471 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 20.2 t70 -65.15 162.8 16.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.325 -0.852 . . . . 1.85 110.351 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.467 ' HA ' ' CE2' ' A' ' 86' ' ' PHE . 16.8 tt -59.9 -27.48 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.72 0.295 . . . . 1.33 111.603 -178.201 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -83.7 -9.55 58.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 2.22 111.078 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.95 20.2 14.89 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.563 -0.827 . . . . 1.25 112.749 177.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -95.59 125.76 40.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.887 -0.184 . . . . 2.14 110.705 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -81.7 115.04 20.77 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.204 -0.665 . . . . 2.19 109.204 176.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.1 m -125.22 158.67 33.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.937 -0.574 . . . . 1.02 111.398 -173.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 26' ' ' THR . 31.7 m -85.93 114.54 22.92 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.292 -0.867 . . . . 1.04 110.552 -179.25 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.46 ' HA ' HG22 ' A' ' 91' ' ' THR . 59.6 t -83.58 132.82 30.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.718 -0.674 . . . . 1.1 110.466 -177.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.0 mt -93.95 117.97 30.84 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.929 -0.767 . . . . 1.91 108.929 175.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.16 -11.16 60.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.379 0.609 . . . . 2.18 110.429 -178.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.499 ' HG2' ' HB3' ' A' ' 50' ' ' ARG . 45.0 mt-10 -132.16 116.33 16.85 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.972 -1.013 . . . . 3.59 109.04 175.264 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 16.2 m -89.8 130.54 38.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.293 0.568 . . . . 2.4 110.372 -177.583 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -99.87 98.88 9.62 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.773 -0.648 . . . . 3.25 109.872 -178.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.7 mm -114.04 91.35 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.197 -0.456 . . . . 2.77 110.199 -178.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.409 HD22 ' N ' ' A' ' 45' ' ' ASN . 0.9 OUTLIER 59.23 56.86 3.67 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.602 -0.727 . . . . 3.84 110.433 179.159 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 74.57 -20.53 0.32 Allowed 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.363 -0.835 . . . . 4.76 111.825 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.9 t -85.61 115.27 23.2 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.515 -0.55 . . . . 3.33 109.515 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.499 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 49.2 t -101.46 123.21 54.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.856 -0.611 . . . . 2.37 110.934 -177.075 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.466 ' O ' HG22 ' A' ' 42' ' ' VAL . 84.0 m-85 -116.96 125.62 51.7 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.934 -0.576 . . . . 4.13 109.714 175.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.499 ' HB3' ' HG2' ' A' ' 41' ' ' GLU . 14.2 ptp180 -101.81 142.51 33.02 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.701 -0.4 . . . . 4.84 110.248 177.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.439 ' HB3' ' HG3' ' B' ' 88' ' ' LYS . 1.0 OUTLIER -116.85 164.72 14.24 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.199 0.523 . . . . 4.56 111.251 -179.727 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -123.98 123.16 39.77 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.439 -0.949 . . . . 2.46 108.439 175.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -89.67 116.57 27.9 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 120.826 0.346 . . . . 1.16 110.694 -176.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 19' ' ' SER . 84.7 t80 -83.73 94.76 8.22 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.794 -0.639 . . . . 3.56 109.642 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -102.03 109.01 20.62 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.614 -0.721 . . . . 1.49 110.183 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.4 m -91.52 96.67 10.61 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.468 -0.938 . . . . 1.07 108.468 172.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -101.66 152.11 21.21 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.515 -0.766 . . . . 2.48 110.439 -168.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 6.0 t -82.14 116.07 21.54 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.064 -0.516 . . . . 1.73 110.479 -175.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -74.62 -47.69 30.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.965 -0.561 . . . . 3.48 110.431 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -160.89 125.51 3.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.151 -0.477 . . . . 2.58 110.521 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.5 t -78.96 135.15 36.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.137 -0.483 . . . . 2.76 110.108 178.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.7 m120 64.05 74.67 0.41 Allowed Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.807 -0.633 . . . . 2.59 111.149 178.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -61.32 -27.27 82.89 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.603 2.202 . . . . 2.57 112.507 179.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.8 m -123.64 161.3 26.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.42 -0.354 . . . . 2.53 110.206 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -88.78 40.55 0.98 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.344 0.592 . . . . 4.19 111.31 -175.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.1 m -150.32 21.91 0.84 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.617 -0.719 . . . . 3.9 109.42 175.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.92 -104.2 1.43 Allowed Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.55 -0.75 . . . . 2.6 111.631 -176.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 93.3 m -135.19 169.06 18.03 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 110.217 -0.29 . . . . 1.73 110.217 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -67.65 125.66 26.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.773 0.321 . . . . 3.94 110.378 -175.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.496 ' O ' ' HA ' ' B' ' 71' ' ' ILE . . . 99.95 -29.71 11.57 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.888 -0.672 . . . . 1.61 111.912 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.476 ' HA ' ' O ' ' B' ' 70' ' ' GLY . 30.2 mm -76.91 84.92 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.143 0.497 . . . . 1.65 110.253 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -102.2 80.71 2.0 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.416 -0.587 . . . . 3.32 109.416 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.1 t -147.69 138.08 23.09 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.656 -0.702 . . . . 4.63 110.205 -178.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -91.02 -15.72 29.13 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.006 -0.738 . . . . 3.06 109.006 174.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -78.93 -28.75 43.85 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.801 -1.091 . . . . 3.51 109.705 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 82.5 m95 -113.09 118.22 34.15 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.812 -0.631 . . . . 3.17 111.408 -178.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -96.39 136.44 36.87 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.079 -1.082 . . . . 2.69 108.079 169.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.649 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 4.5 m -121.73 148.69 44.29 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 120.929 0.395 . . . . 1.93 111.73 -171.67 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -154.4 156.1 36.21 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.555 -0.748 . . . . 3.73 109.055 171.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.56 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 26.9 m -99.34 139.06 35.54 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.954 0.407 . . . . 1.67 111.416 -172.037 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.1 t -138.37 147.01 42.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.848 -0.615 . . . . 2.24 109.588 177.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.9 p -91.67 124.94 36.2 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.191 0.52 . . . . 2.78 112.066 -175.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 91.0 m -76.4 138.27 40.28 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.437 -0.949 . . . . 2.69 108.437 170.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -124.56 132.37 53.45 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.737 -0.385 . . . . 3.71 110.435 -178.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.62 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 8.9 t -114.36 160.57 18.96 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.175 -0.466 . . . . 1.48 109.753 -178.516 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.679 ' CE2' ' HB3' ' A' ' 103' ' ' ARG . 83.7 m-85 -120.54 117.22 27.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.805 0.336 . . . . 1.75 110.459 -176.319 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 31.1 m -113.63 156.15 14.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.249 -0.432 . . . . 1.08 110.703 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.447 ' HG3' ' HB3' ' B' ' 51' ' ' GLN . 32.0 mmmt -84.56 113.07 20.97 Favored 'General case' 0 CA--C 1.515 -0.404 0 CA-C-O 120.914 0.388 . . . . 3.82 110.144 177.251 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.57 146.09 50.64 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.87 -0.604 . . . . 1.13 109.916 177.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.427 ' HB3' HG12 ' A' ' 42' ' ' VAL . 23.4 tp -77.96 104.45 8.53 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.644 -0.873 . . . . 1.45 108.644 176.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.46 HG22 ' HA ' ' A' ' 38' ' ' VAL . 67.9 p -112.74 145.46 40.48 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.161 -0.472 . . . . 1.14 110.36 -176.591 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.7 t -104.44 126.61 51.69 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.462 0.649 . . . . 1.32 110.442 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -70.98 -31.2 67.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.18 -0.918 . . . . 2.47 109.929 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -171.62 -58.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.168 -0.924 . . . . 3.09 108.515 178.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -125.33 -32.94 2.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.664 -0.698 . . . . 3.29 110.586 172.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -83.73 130.61 34.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.354 -0.384 . . . . 2.74 110.93 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.426 ' HB1' ' HG ' ' A' ' 90' ' ' LEU . . . -103.99 137.13 42.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.928 -0.578 . . . . 1.44 110.501 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.58 147.45 32.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.226 -0.443 . . . . 1.38 110.718 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -73.19 108.22 5.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.131 -0.486 . . . . 2.35 110.374 177.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.412 HH21 ' CG ' ' A' ' 30' ' ' ASP . 12.3 mmm180 -114.79 163.89 14.87 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.247 -0.433 . . . . 3.48 110.56 -179.365 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.471 ' O ' ' HA ' ' A' ' 30' ' ' ASP . 75.5 m-85 -89.8 113.23 24.75 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.137 -0.69 . . . . 1.98 109.137 173.086 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.455 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 40.8 pt -113.3 144.42 20.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 C-N-CA 120.449 -0.5 . . . . 0.86 110.752 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.679 ' HB3' ' CE2' ' A' ' 86' ' ' PHE . 19.0 ptp180 -94.03 130.76 40.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.556 -0.747 . . . . 3.71 111.278 -174.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.441 ' N ' HD13 ' A' ' 104' ' ' ILE . 0.2 OUTLIER -131.46 160.38 42.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 CA-C-N 115.889 -0.596 . . . . 0.83 110.522 174.636 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -69.11 123.32 20.77 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.485 -0.78 . . . . 1.69 110.668 -178.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.404 HG22 HG22 ' B' ' 106' ' ' THR . 2.3 m -96.43 -34.86 11.36 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.567 -0.742 . . . . 2.29 110.701 -177.421 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -179.34 160.48 1.01 Allowed 'General case' 0 CA--C 1.522 -0.106 0 CA-C-N 115.779 -0.646 . . . . 1.14 110.119 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.56 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 39.1 t -113.29 100.99 8.98 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.591 -0.892 . . . . 1.56 108.591 171.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' A' ' 80' ' ' CYS . 22.2 m -94.92 152.25 3.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.013 -0.54 . . . . 1.07 110.914 -172.533 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.649 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 32.5 t -104.06 109.44 21.23 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.221 -0.659 . . . . 1.45 109.221 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.461 ' O ' ' HA ' ' A' ' 78' ' ' SER . 13.5 m -86.18 153.14 3.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.165 -0.47 . . . . 1.52 110.47 -175.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.0 mt -108.93 137.55 46.67 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.758 -0.46 . . . . 1.67 109.758 177.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 44.5 t -132.22 144.21 50.47 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.243 -0.435 . . . . 2.62 110.078 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 114' ' ' ARG . 42.8 ttp180 -80.49 8.57 7.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.924 -0.58 . . . . 6.73 110.14 178.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm 70.28 36.61 1.77 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.466 -0.788 . . . . 4.59 110.121 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.86 -71.92 0.41 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.772 -0.649 . . . . 4.5 110.888 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.6 t -157.9 157.82 33.87 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.192 -0.458 . . . . 5.74 109.86 -178.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.481 ' HG2' ' SD ' ' B' ' 9' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.565 -0.731 . . . . 8.67 109.46 177.155 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 22.0 m . . . . . 0 N--CA 1.473 0.707 0 N-CA-C 110.458 -0.201 . . . . 13.98 110.458 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 86.8 p 67.05 -36.32 0.28 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.183 1.393 . . . . 12.76 113.655 176.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 7.3 m -62.75 -41.65 99.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.156 0.503 . . . . 11.36 110.74 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -146.71 85.3 7.21 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.316 -0.624 . . . . 10.29 109.316 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.04 61.54 4.83 Favored 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 122.919 2.413 . . . . 7.63 112.107 -178.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' VAL . . . . . 0.495 ' HB ' ' HA ' ' B' ' 9' ' ' MET . 6.6 t 57.63 23.08 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 115.349 -0.841 . . . . 6.65 110.174 -178.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 53.0 t80 61.07 60.26 1.84 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.555 -0.748 . . . . 7.27 109.787 -176.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' HIS . . . . . 0.416 ' O ' ' HB2' ' B' ' 9' ' ' MET . 54.6 m-70 63.17 36.7 11.88 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.61 -0.723 . . . . 7.72 110.365 -177.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' MET . . . . . 0.495 ' HA ' ' HB ' ' B' ' 6' ' ' VAL . 80.2 mtp 71.05 -9.95 0.81 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.37 0.668 . . . . 5.34 111.411 -173.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.83 117.63 3.89 Favored Glycine 0 N--CA 1.44 -1.037 0 N-CA-C 111.109 -0.796 . . . . 3.98 111.109 -175.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.458 ' HB2' HG21 ' A' ' 109' ' ' VAL . 5.4 pt-20 -75.28 73.55 2.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.931 0.872 . . . . 4.62 110.37 178.032 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -58.25 132.33 53.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.527 -1.215 . . . . 3.65 111.45 -178.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 24.1 m -103.39 134.24 47.1 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.374 -0.83 . . . . 2.42 109.509 175.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 28.3 m -62.42 -17.98 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-O 121.126 0.489 . . . . 1.41 111.133 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 t -125.22 127.32 46.58 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.14 -1.059 . . . . 1.75 108.14 171.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -53.97 115.16 1.88 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.269 0.557 . . . . 2.87 112.426 -171.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 45.0 m -128.66 145.17 51.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.441 -0.799 . . . . 1.72 109.848 178.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -117.36 121.99 68.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 120.946 0.403 . . . . 1.51 110.646 -179.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.425 ' HB2' ' CE1' ' B' ' 54' ' ' PHE . 4.8 p -94.84 113.69 25.47 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.99 0.424 . . . . 1.66 110.518 179.012 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 59.0 t -119.32 138.35 50.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.105 -0.498 . . . . 1.03 110.886 -177.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -97.19 96.16 8.24 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.189 -0.671 . . . . 1.61 109.189 172.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 40.3 t -83.61 108.57 16.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.941 -0.572 . . . . 0.96 110.411 -177.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.12 6.57 56.45 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.577 -0.821 . . . . 1.27 112.007 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -137.75 42.77 2.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.88 0.371 . . . . 3.01 110.784 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -76.37 130.67 38.4 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.643 -0.503 . . . . 1.32 109.643 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' B' ' 37' ' ' THR . 8.8 t -116.48 -17.07 10.74 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.525 0.565 . . . . 1.82 112.525 -175.433 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 12.1 p -137.82 141.44 40.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.985 -0.447 . . . . 1.0 111.668 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.429 ' HB1' ' HB ' ' B' ' 102' ' ' ILE . . . -154.5 163.57 40.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.985 -0.552 . . . . 0.79 110.359 174.453 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 27.1 m -102.87 121.26 42.14 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.142 -0.481 . . . . 1.01 110.748 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ASP . . . . . 0.468 ' HA ' ' O ' ' B' ' 101' ' ' PHE . 20.1 t70 -65.12 162.8 16.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.392 -0.822 . . . . 1.84 110.422 179.367 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.469 ' HA ' ' CE2' ' B' ' 86' ' ' PHE . 16.6 tt -60.12 -27.44 39.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.729 0.299 . . . . 1.33 111.462 -178.241 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -83.58 -9.67 58.77 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.811 0.338 . . . . 2.22 111.115 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.96 20.25 14.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.766 -0.731 . . . . 1.25 112.837 177.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -95.61 126.01 40.6 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.77 -0.253 . . . . 2.14 110.465 179.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -82.08 115.07 21.04 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.276 -0.638 . . . . 2.19 109.276 176.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 16.1 m -124.96 158.96 32.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.853 -0.612 . . . . 1.01 111.408 -173.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' B' ' 26' ' ' THR . 30.2 m -86.3 114.52 23.17 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.193 -0.912 . . . . 1.04 110.451 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.444 ' HA ' HG22 ' B' ' 91' ' ' THR . 60.5 t -83.37 133.19 29.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.84 -0.618 . . . . 1.1 110.556 -177.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 63.5 mt -94.23 117.83 30.69 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.012 -0.736 . . . . 1.91 109.012 175.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.14 -10.8 60.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.295 0.569 . . . . 2.18 110.523 -178.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.49 ' HG2' ' HB3' ' B' ' 50' ' ' ARG . 44.7 mt-10 -132.47 116.5 16.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.104 -0.953 . . . . 3.59 109.122 175.074 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 16.3 m -89.93 130.46 39.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.308 0.575 . . . . 2.39 110.248 -177.393 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -99.97 99.06 9.76 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.721 -0.672 . . . . 3.25 109.773 -178.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 48.8 mm -114.1 91.22 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.197 -0.456 . . . . 2.77 110.247 -178.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ASN . . . . . 0.407 HD22 ' N ' ' B' ' 45' ' ' ASN . 0.9 OUTLIER 59.39 56.58 3.7 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.66 -0.7 . . . . 3.84 110.404 179.134 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 74.61 -19.63 0.36 Allowed 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.415 -0.811 . . . . 4.76 111.804 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 23.0 t -86.45 115.4 23.93 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.473 -0.566 . . . . 3.33 109.473 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.49 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 49.1 t -101.7 122.6 54.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.856 -0.611 . . . . 2.38 111.079 -176.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' PHE . . . . . 0.473 ' O ' HG22 ' B' ' 42' ' ' VAL . 84.7 m-85 -116.38 125.07 51.55 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.926 -0.579 . . . . 4.13 109.981 175.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.49 ' HB3' ' HG2' ' B' ' 41' ' ' GLU . 14.3 ptp180 -101.41 142.09 33.31 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.749 -0.38 . . . . 4.84 110.57 177.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' GLN . . . . . 0.447 ' HB3' ' HG3' ' A' ' 88' ' ' LYS . 1.0 OUTLIER -116.51 164.88 13.91 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.175 0.512 . . . . 4.56 111.154 -179.56 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -124.12 123.02 39.4 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.391 -0.966 . . . . 2.45 108.391 175.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -89.52 116.72 27.9 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.934 0.397 . . . . 1.16 110.675 -176.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' PHE . . . . . 0.425 ' CE1' ' HB2' ' B' ' 19' ' ' SER . 84.8 t80 -83.81 94.89 8.29 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.697 -0.683 . . . . 3.56 109.629 -179.411 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -102.1 109.14 20.77 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.446 -0.797 . . . . 1.49 110.21 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 15.6 m -91.66 96.61 10.54 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.508 -0.923 . . . . 1.07 108.508 171.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -101.67 152.04 21.3 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.41 -0.814 . . . . 2.48 110.416 -168.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 6.1 t -82.09 116.34 21.63 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.929 -0.578 . . . . 1.73 110.32 -175.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -74.84 -47.86 28.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.855 -0.611 . . . . 3.49 110.405 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -160.63 125.51 3.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.132 -0.486 . . . . 2.58 110.638 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 40.4 t -79.06 135.13 36.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.338 -0.392 . . . . 2.76 110.056 178.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 19.7 m120 64.01 74.81 0.41 Allowed Pre-proline 0 C--N 1.329 -0.316 0 O-C-N 123.693 0.62 . . . . 2.59 111.092 178.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -61.42 -27.37 82.51 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.592 2.194 . . . . 2.57 112.599 179.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 29.4 m -123.39 161.22 25.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.388 -0.369 . . . . 2.53 110.205 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -88.69 40.43 0.97 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.413 0.625 . . . . 4.2 111.274 -175.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 50.2 m -150.06 22.17 0.86 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.609 -0.723 . . . . 3.9 109.37 175.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.56 -104.34 1.48 Allowed Glycine 0 N--CA 1.443 -0.864 0 CA-C-N 115.719 -0.673 . . . . 2.6 111.594 -176.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 93.2 m -135.0 169.05 18.02 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 110.231 -0.285 . . . . 1.74 110.231 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -67.46 125.76 27.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.795 0.331 . . . . 3.95 110.461 -175.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' GLY . . . . . 0.476 ' O ' ' HA ' ' A' ' 71' ' ' ILE . . . 99.73 -29.81 11.29 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.722 -0.751 . . . . 1.6 111.959 -179.651 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 71' ' ' ILE . . . . . 0.496 ' HA ' ' O ' ' A' ' 70' ' ' GLY . 30.8 mm -76.9 84.85 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.19 0.519 . . . . 1.65 110.299 -179.488 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -102.09 80.11 1.95 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.305 0.574 . . . . 3.32 109.561 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 45.4 t -147.52 138.32 23.44 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.743 -0.662 . . . . 4.63 110.249 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -91.03 -15.78 29.01 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.726 0.774 . . . . 3.06 109.073 174.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -78.74 -28.83 44.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.722 -1.126 . . . . 3.51 109.654 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . 81.6 m95 -113.25 117.85 33.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.8 -0.636 . . . . 3.17 111.525 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -95.96 136.41 36.44 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.089 -1.078 . . . . 2.7 108.089 169.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.653 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 4.7 m -121.79 148.67 44.36 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.875 0.369 . . . . 1.93 111.721 -171.676 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -154.36 156.01 36.12 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.684 -0.689 . . . . 3.73 109.16 171.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.559 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 25.2 m -99.06 139.46 34.66 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.974 0.416 . . . . 1.67 111.389 -172.316 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 8.9 t -138.69 146.92 42.16 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.734 -0.667 . . . . 2.25 109.49 177.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 14.0 p -91.33 125.65 36.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.103 0.477 . . . . 2.78 112.014 -175.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 88.6 m -76.93 138.28 39.59 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.334 -0.987 . . . . 2.69 108.334 170.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -124.71 132.44 53.38 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.73 -0.388 . . . . 3.71 110.375 -178.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.622 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 8.9 t -114.39 160.5 19.07 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.066 -0.515 . . . . 1.48 109.716 -178.464 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 86' ' ' PHE . . . . . 0.677 ' CE2' ' HB3' ' B' ' 103' ' ' ARG . 83.0 m-85 -120.58 117.45 27.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.833 0.349 . . . . 1.75 110.372 -176.358 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 87' ' ' VAL . . . . . 0.412 HG13 HD11 ' B' ' 104' ' ' ILE . 30.8 m -113.79 156.08 14.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.282 -0.417 . . . . 1.08 110.697 -179.014 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 88' ' ' LYS . . . . . 0.439 ' HG3' ' HB3' ' A' ' 51' ' ' GLN . 32.0 mmmt -84.47 113.24 21.06 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 116.327 -0.397 . . . . 3.82 110.212 177.267 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.71 146.07 50.69 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.918 -0.583 . . . . 1.13 109.961 177.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' LEU . . . . . 0.433 ' HB3' HG12 ' B' ' 42' ' ' VAL . 23.4 tp -77.97 104.49 8.56 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.652 -0.87 . . . . 1.45 108.652 176.646 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 91' ' ' THR . . . . . 0.444 HG22 ' HA ' ' B' ' 38' ' ' VAL . 67.1 p -112.74 145.39 40.61 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.121 -0.491 . . . . 1.15 110.453 -176.575 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 8.1 t -104.51 126.62 51.76 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.368 0.604 . . . . 1.32 110.357 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -70.84 -31.61 68.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.196 -0.911 . . . . 2.46 109.989 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -171.32 -58.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.134 -0.939 . . . . 3.09 108.568 178.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -125.86 -32.78 2.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.649 -0.705 . . . . 3.3 110.349 173.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -83.89 131.08 34.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.934 0.397 . . . . 2.74 110.744 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 97' ' ' ALA . . . . . 0.419 ' HB1' ' HG ' ' B' ' 90' ' ' LEU . . . -104.41 136.49 43.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.839 -0.619 . . . . 1.44 110.682 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.06 147.52 32.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.231 -0.441 . . . . 1.39 110.743 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -73.05 107.95 5.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.011 -0.54 . . . . 2.35 110.573 177.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 100' ' ' ARG . . . . . 0.408 HH21 ' CG ' ' B' ' 30' ' ' ASP . 12.3 mmm180 -114.68 163.84 14.89 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.347 -0.388 . . . . 3.48 110.56 -179.182 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.468 ' O ' ' HA ' ' B' ' 30' ' ' ASP . 75.9 m-85 -89.65 113.33 24.78 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.269 -0.641 . . . . 1.98 109.269 173.006 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 102' ' ' ILE . . . . . 0.467 ' O ' ' HA ' ' B' ' 86' ' ' PHE . 41.0 pt -113.47 144.44 21.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 C-N-CA 120.363 -0.535 . . . . 0.86 110.729 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.677 ' HB3' ' CE2' ' B' ' 86' ' ' PHE . 19.0 ptp180 -93.92 131.04 39.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.524 -0.762 . . . . 3.72 111.251 -174.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 104' ' ' ILE . . . . . 0.436 ' N ' HD13 ' B' ' 104' ' ' ILE . 0.2 OUTLIER -131.53 160.21 42.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.847 -0.615 . . . . 0.83 110.545 174.582 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -68.81 123.25 20.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.444 -0.798 . . . . 1.69 110.577 -178.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 106' ' ' THR . . . . . 0.404 HG22 HG22 ' A' ' 106' ' ' THR . 2.4 m -96.48 -34.94 11.31 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.621 -0.718 . . . . 2.29 110.54 -177.446 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -179.38 160.49 1.0 Allowed 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.846 -0.616 . . . . 1.15 110.15 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 108' ' ' CYS . . . . . 0.559 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 40.0 t -113.11 100.9 8.95 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.676 -0.861 . . . . 1.56 108.676 171.737 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 109' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' B' ' 80' ' ' CYS . 21.9 m -94.94 152.14 3.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.032 -0.531 . . . . 1.08 110.913 -172.467 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.653 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 32.6 t -103.94 109.33 21.05 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.18 -0.674 . . . . 1.45 109.18 179.432 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' B' ' 78' ' ' SER . 13.3 m -86.17 153.17 3.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.334 -0.394 . . . . 1.52 110.697 -175.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 81.4 mt -108.95 137.54 46.7 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.802 -0.444 . . . . 1.67 109.802 177.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 43.1 t -132.25 144.41 50.6 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.14 -0.482 . . . . 2.62 110.1 178.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -80.96 8.42 8.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.241 0.544 . . . . 6.72 109.93 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm 70.64 36.27 1.66 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.305 -0.862 . . . . 4.59 110.081 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.58 -71.82 0.41 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.621 -0.718 . . . . 4.5 110.919 -179.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 6.7 t -158.02 156.71 31.61 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.066 -0.515 . . . . 5.74 110.051 -178.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 118' ' ' ARG . . . . . 0.498 ' HG2' ' SD ' ' A' ' 9' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.421 -0.799 . . . . 8.68 109.297 177.251 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.5 p . . . . . 0 N--CA 1.476 0.828 0 CA-C-O 120.921 0.391 . . . . 13.98 110.762 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.0 m -132.44 54.99 1.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.718 -0.475 . . . . 12.75 109.718 176.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.9 p 56.6 168.52 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.402 1.081 . . . . 11.35 112.955 -177.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.5 t60 55.78 65.6 4.32 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 115.47 -0.787 . . . . 10.28 110.72 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -84.97 40.24 0.81 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.737 2.292 . . . . 7.63 112.375 -177.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.8 t 59.33 34.79 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-O 121.536 0.684 . . . . 6.65 109.843 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.9 t80 56.86 41.32 28.13 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.234 -0.894 . . . . 7.27 109.674 -176.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.5 m80 61.24 57.24 2.48 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.194 -0.912 . . . . 7.72 109.997 -175.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 21.2 ptp 43.45 53.5 5.64 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 124.109 0.881 . . . . 5.34 111.491 -175.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -129.83 -158.69 9.53 Favored Glycine 0 N--CA 1.443 -0.877 0 CA-C-N 115.317 -0.856 . . . . 3.98 112.126 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 61.71 18.37 9.56 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.01 0.524 . . . . 4.63 111.624 -178.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.601 ' HB2' ' O ' ' B' ' 112' ' ' LEU . 62.9 m-85 -72.27 132.17 43.7 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.566 -0.531 . . . . 3.65 109.566 175.301 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.0 m -79.76 126.46 30.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.573 -0.739 . . . . 2.42 111.713 -172.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.4 m -64.03 -27.89 43.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 115.713 -0.676 . . . . 1.41 110.184 173.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.2 t -135.65 128.94 32.0 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.014 -0.994 . . . . 1.75 108.326 173.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -56.39 136.25 53.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.115 0.483 . . . . 2.87 111.064 -176.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.444 ' HB3' ' HB3' ' A' ' 108' ' ' CYS . 25.8 p -140.71 145.46 36.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.002 -0.545 . . . . 1.72 111.072 -174.333 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.52 ' HB ' ' NE ' ' A' ' 59' ' ' ARG . 4.0 p -119.9 116.43 50.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.065 -0.516 . . . . 1.51 111.039 -178.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.453 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 53.9 m -88.05 122.19 31.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.343 -0.389 . . . . 1.66 110.097 177.122 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.2 t -119.52 141.8 37.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.057 -0.52 . . . . 1.03 110.394 -177.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -104.62 97.07 7.02 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.404 -0.591 . . . . 1.61 109.404 173.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 56.4 t -71.73 119.04 17.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.487 -0.779 . . . . 0.96 110.359 -177.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.504 ' HA2' ' CD1' ' A' ' 52' ' ' TYR . . . -88.08 -6.75 74.79 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.986 -0.626 . . . . 1.27 112.57 -177.192 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -158.82 84.62 0.82 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.044 0.45 . . . . 3.02 110.342 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.401 ' HE3' ' HB2' ' A' ' 28' ' ' ALA . 58.8 tttp -80.94 138.52 36.1 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.414 -0.587 . . . . 1.32 109.414 175.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.3 p -87.39 -64.74 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.33 0.492 . . . . 1.82 112.33 -174.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.1 p -134.65 149.63 50.56 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.867 0.365 . . . . 1.01 111.616 -175.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.401 ' HB2' ' HE3' ' A' ' 25' ' ' LYS . . . -149.2 166.99 27.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.041 -0.527 . . . . 0.79 110.603 176.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.7 m -101.06 118.59 37.29 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.133 -0.485 . . . . 1.02 110.73 -179.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.421 ' OD2' ' HB3' ' A' ' 100' ' ' ARG . 21.9 t70 -71.54 158.33 36.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.662 -0.699 . . . . 1.85 109.454 175.708 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.8 tt -61.33 -18.92 19.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.876 -0.602 . . . . 1.33 111.587 -175.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -90.22 8.82 31.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.998 0.428 . . . . 2.22 110.869 178.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.99 22.04 56.01 Favored Glycine 0 N--CA 1.453 -0.191 0 CA-C-N 115.902 -0.59 . . . . 1.25 112.991 174.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -104.67 138.76 40.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.943 0.401 . . . . 2.14 111.165 -178.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -90.36 114.6 26.74 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.145 -0.687 . . . . 2.19 109.145 174.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.9 m -123.4 157.18 29.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.956 -0.565 . . . . 1.02 111.193 -174.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.404 ' HB ' ' CG2' ' A' ' 92' ' ' THR . 25.7 m -84.0 124.85 31.49 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.416 -0.811 . . . . 1.04 109.714 179.515 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.425 ' HA ' HG22 ' A' ' 91' ' ' THR . 42.1 t -89.09 137.84 20.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.151 -0.477 . . . . 1.1 111.303 -172.669 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.4 mt -111.54 116.34 30.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.999 -0.546 . . . . 1.91 109.721 176.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.453 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . . . -68.96 -23.22 64.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.263 0.554 . . . . 2.18 110.336 178.457 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.409 ' HB3' ' HE ' ' A' ' 50' ' ' ARG . 6.4 pt-20 -105.78 126.29 52.0 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.016 -0.993 . . . . 3.59 109.409 176.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.0 m -90.09 98.6 8.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.868 0.842 . . . . 2.4 110.398 -178.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -85.37 97.65 10.1 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.236 -0.893 . . . . 3.25 109.459 178.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.409 HG21 HG21 ' B' ' 44' ' ' ILE . 53.3 mt -94.53 -70.7 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.915 -0.584 . . . . 2.77 109.461 179.025 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -163.88 95.18 0.78 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.552 -0.749 . . . . 3.84 109.322 175.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.6 t30 74.88 -46.02 0.59 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.5 0.72 . . . . 4.76 111.045 -177.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.5 m -77.25 114.53 16.16 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.756 0.312 . . . . 3.33 110.22 177.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 16.7 t -135.88 137.53 48.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.766 -0.457 . . . . 2.37 109.766 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -153.61 154.16 33.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.956 0.408 . . . . 4.13 111.177 177.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.409 ' HE ' ' HB3' ' A' ' 41' ' ' GLU . 93.8 mtt180 -117.74 135.25 54.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.627 -0.715 . . . . 4.84 110.017 176.173 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -120.81 -2.83 9.76 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.356 -0.609 . . . . 4.56 109.356 174.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.504 ' CD1' ' HA2' ' A' ' 23' ' ' GLY . 13.3 m-30 71.05 175.79 0.29 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 114.92 -1.037 . . . . 2.46 110.453 -178.69 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.453 ' CE2' ' HA ' ' A' ' 40' ' ' ALA . 91.3 m-85 -117.35 127.47 54.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.935 0.398 . . . . 1.16 111.028 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -84.63 110.57 18.83 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.756 -0.656 . . . . 3.56 110.836 -178.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -125.15 116.52 22.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.128 -0.487 . . . . 1.49 109.875 178.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' A' ' 19' ' ' SER . 52.9 m -100.6 110.31 22.45 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.162 0.506 . . . . 1.07 109.82 179.025 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -103.2 155.27 18.55 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.65 -0.704 . . . . 2.48 110.734 -172.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 76.7 m -79.6 123.45 27.62 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.831 -0.622 . . . . 1.73 111.22 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.52 ' NE ' ' HB ' ' A' ' 18' ' ' VAL . 81.3 mtt180 -83.46 98.92 9.78 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.118 -0.697 . . . . 3.48 109.118 173.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 64.3 -165.69 0.23 Allowed 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.613 0.57 . . . . 2.58 110.239 -176.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.8 p -157.7 139.92 14.4 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 121.236 -0.186 . . . . 2.76 111.173 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.481 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 12.9 m120 63.52 74.15 0.45 Allowed Pre-proline 0 N--CA 1.468 0.462 0 O-C-N 123.935 0.772 . . . . 2.59 112.013 176.371 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -65.73 -21.29 58.65 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.422 2.082 . . . . 2.57 112.151 176.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.4 m -129.57 158.75 42.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.994 -0.548 . . . . 2.53 110.044 178.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' A' ' 66' ' ' SER . 0.3 OUTLIER -83.56 80.44 9.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.074 0.464 . . . . 4.19 109.928 -178.012 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 65' ' ' GLU . 9.4 t 174.14 -36.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.41 -0.959 . . . . 3.9 108.41 179.267 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.548 ' HA3' ' HB2' ' A' ' 78' ' ' SER . . . 164.56 -95.45 0.12 Allowed Glycine 0 N--CA 1.44 -1.066 0 CA-C-N 115.505 -0.77 . . . . 2.6 111.988 179.475 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 65.7 m -124.96 168.19 13.65 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.679 -0.489 . . . . 1.73 109.679 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -61.38 121.09 11.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.786 0.327 . . . . 3.94 110.293 -177.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' B' ' 71' ' ' ILE . . . 112.07 -32.14 6.52 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.098 -0.572 . . . . 1.61 111.77 -176.626 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 30.0 mm -79.61 125.75 38.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.704 0.288 . . . . 1.65 110.308 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -147.96 83.33 1.51 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.438 -0.578 . . . . 3.32 109.438 175.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.2 t -145.16 148.39 33.52 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.907 -0.588 . . . . 4.63 110.364 -175.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -96.91 -11.38 24.77 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.355 0.598 . . . . 3.06 109.405 174.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -86.89 -29.12 22.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.278 -0.874 . . . . 3.51 109.897 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.564 ' CE3' ' HB3' ' A' ' 112' ' ' LEU . 94.8 m95 -116.36 138.86 50.99 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.415 -0.811 . . . . 3.17 110.742 -177.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -116.26 133.32 56.15 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.102 -1.073 . . . . 2.69 108.102 167.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.548 ' HB2' ' HA3' ' A' ' 67' ' ' GLY . 1.4 m -120.58 150.08 41.43 Favored 'General case' 0 C--N 1.315 -0.929 0 C-N-CA 120.369 -0.533 . . . . 1.93 110.741 -175.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.5 p90 -155.56 161.72 40.81 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.845 -0.616 . . . . 3.73 109.966 176.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.535 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 9.2 m -84.39 115.2 22.4 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.382 -0.826 . . . . 1.67 110.342 -173.528 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.8 m -124.79 133.26 53.2 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.105 -0.498 . . . . 2.24 110.02 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.479 ' HB ' ' HB2' ' A' ' 105' ' ' ASP . 3.2 p -81.48 131.57 35.28 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.096 0.474 . . . . 2.78 111.331 178.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.6 p -76.54 123.27 25.81 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.008 -0.542 . . . . 2.69 109.642 176.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.556 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 31.3 m80 -105.09 115.88 31.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.241 -0.436 . . . . 3.71 109.937 -176.388 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.71 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 6.2 t -118.84 162.8 17.88 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.978 -0.378 . . . . 1.48 109.978 -179.125 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -102.5 116.78 33.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.809 0.338 . . . . 1.75 110.216 -176.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 101' ' ' PHE . 21.6 m -109.7 142.12 23.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.985 -0.552 . . . . 1.08 110.962 -178.057 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -77.45 103.11 7.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.61 -0.723 . . . . 3.82 110.902 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.04 147.96 50.95 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.508 -0.769 . . . . 1.13 110.433 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.7 tp -72.66 118.0 15.04 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.89 -0.782 . . . . 1.45 108.89 174.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.425 HG22 ' HA ' ' A' ' 38' ' ' VAL . 76.8 p -127.0 158.01 38.03 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 116.223 -0.444 . . . . 1.14 109.961 -178.032 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.404 ' CG2' ' HB ' ' A' ' 37' ' ' THR . 11.7 t -120.45 121.4 38.42 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.768 0.794 . . . . 1.32 110.224 177.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -69.32 -43.65 73.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.83 -1.077 . . . . 2.47 110.421 178.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -165.51 -69.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 3.09 110.596 177.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -100.42 -29.84 12.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.912 0.387 . . . . 3.29 111.025 -178.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -108.58 151.08 26.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.915 0.388 . . . . 2.74 111.371 -176.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -114.6 135.64 53.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.752 -0.658 . . . . 1.44 109.777 175.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.35 159.35 43.46 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.654 0.264 . . . . 1.38 110.643 -177.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -74.8 114.6 13.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.166 -0.47 . . . . 2.35 110.324 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.421 ' HB3' ' OD2' ' A' ' 30' ' ' ASP . 74.5 mmt-85 -122.08 173.18 7.72 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.992 -0.549 . . . . 3.48 109.781 178.411 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' A' ' 87' ' ' VAL . 15.5 m-85 -119.73 104.42 10.22 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.03 -0.73 . . . . 1.98 109.03 -174.264 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 30.0 pt -111.97 143.17 22.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.024 0.44 . . . . 0.86 111.464 -168.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.71 ' HA ' ' O ' ' A' ' 85' ' ' THR . 0.1 OUTLIER -79.33 128.39 33.27 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.454 -0.793 . . . . 3.71 111.128 -177.771 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.556 ' O ' ' HA ' ' A' ' 84' ' ' HIS . 45.9 pt -130.12 153.0 38.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.564 -0.744 . . . . 0.83 110.104 175.418 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.479 ' HB2' ' HB ' ' A' ' 82' ' ' THR . 4.3 p-10 -82.9 103.51 12.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.581 0.705 . . . . 1.69 110.071 175.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.7 m -90.85 -31.18 16.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.261 -0.881 . . . . 2.29 112.04 -170.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.447 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -150.21 155.47 39.81 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.627 0.251 . . . . 1.14 110.557 -178.687 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.535 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 41.0 t -108.1 108.68 19.87 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.345 -0.613 . . . . 1.56 109.345 176.607 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 17.7 m -109.21 159.1 8.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.901 -0.591 . . . . 1.07 110.344 -174.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.449 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 13.4 t -97.81 107.67 20.22 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.75 -0.833 . . . . 1.45 108.75 176.093 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.491 ' O ' ' HA ' ' A' ' 78' ' ' SER . 27.7 m -93.37 153.47 3.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.32 -0.4 . . . . 1.52 110.83 -175.241 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.564 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . 97.5 mt -102.08 141.78 34.39 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.08 -0.509 . . . . 1.67 110.687 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.2 t -122.66 138.59 54.55 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.741 -0.837 . . . . 2.62 108.741 170.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -80.19 -3.94 51.03 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 123.443 0.464 . . . . 6.73 111.915 -173.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt 57.82 36.19 26.18 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.904 -0.589 . . . . 4.59 111.155 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -80.15 151.84 29.54 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.15 -0.477 . . . . 4.5 111.014 -176.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 34.7 p -128.41 152.18 48.51 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.979 -0.555 . . . . 5.74 109.986 177.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 118' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.826 0 CA-C-O 118.964 -0.541 . . . . 8.67 110.877 -179.639 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 31.2 p . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 120.588 0.232 . . . . 13.98 110.712 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -132.58 55.2 1.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.604 -0.517 . . . . 12.76 109.604 175.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 34.6 p 56.97 168.33 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.428 1.091 . . . . 11.36 112.942 -178.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 17.4 t60 55.8 65.51 4.38 Favored Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 115.707 -0.679 . . . . 10.29 110.857 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -85.08 40.38 0.82 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.767 2.311 . . . . 7.63 112.369 -177.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 7.0 t 59.33 34.55 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 121.592 0.71 . . . . 6.65 109.864 -179.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 11.1 t80 57.4 41.01 26.97 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.304 -0.862 . . . . 7.27 109.663 -176.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 46.3 m80 61.25 57.31 2.46 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.206 -0.906 . . . . 7.72 109.989 -174.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 21.2 ptp 43.58 53.62 5.76 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 124.04 0.837 . . . . 5.34 111.373 -176.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -130.48 -159.18 9.58 Favored Glycine 0 N--CA 1.443 -0.894 0 CA-C-N 115.19 -0.914 . . . . 3.98 112.077 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 62.01 18.58 10.05 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.079 0.552 . . . . 4.62 111.536 -177.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' PHE . . . . . 0.466 ' HB2' ' O ' ' A' ' 112' ' ' LEU . 61.8 m-85 -72.18 131.99 43.53 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.621 -0.511 . . . . 3.65 109.621 175.313 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 22.9 m -79.72 126.09 30.49 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.625 -0.716 . . . . 2.42 111.699 -172.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 19.1 m -63.95 -27.87 43.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 115.733 -0.667 . . . . 1.41 110.23 173.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 48.0 t -135.55 129.27 32.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.818 -1.083 . . . . 1.75 108.172 173.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -56.72 136.33 55.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.0 0.429 . . . . 2.87 111.155 -177.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' SER . . . . . 0.434 ' HB3' ' HB3' ' B' ' 108' ' ' CYS . 29.7 p -140.49 145.62 37.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.121 -0.49 . . . . 1.72 111.062 -174.318 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.521 ' HB ' ' NE ' ' B' ' 59' ' ' ARG . 3.9 p -120.16 116.47 50.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.206 -0.452 . . . . 1.51 110.99 -178.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.444 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 50.6 m -88.44 121.52 30.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.319 -0.4 . . . . 1.66 110.313 177.305 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 50.7 t -118.88 142.12 35.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.977 -0.556 . . . . 1.03 110.403 -177.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -104.75 97.17 7.1 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.37 -0.604 . . . . 1.61 109.37 173.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 57.3 t -72.01 118.89 17.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.395 -0.82 . . . . 0.96 110.269 -177.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.493 ' HA2' ' CD1' ' B' ' 52' ' ' TYR . . . -88.16 -6.66 74.61 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.008 -0.615 . . . . 1.27 112.667 -177.036 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -158.87 84.63 0.81 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.059 0.457 . . . . 3.01 110.321 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -80.94 138.77 36.11 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.328 -0.619 . . . . 1.32 109.328 175.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 9.3 p -87.79 -64.46 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.247 0.462 . . . . 1.82 112.247 -174.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.1 p -135.01 149.48 50.18 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.956 0.408 . . . . 1.0 111.696 -175.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -149.38 166.76 28.07 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.003 -0.544 . . . . 0.79 110.564 177.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 7.0 m -100.79 118.77 37.54 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.984 -0.553 . . . . 1.01 110.579 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -71.81 158.13 36.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.619 -0.719 . . . . 1.84 109.479 175.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.8 tt -61.39 -18.58 18.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.905 -0.589 . . . . 1.33 111.715 -175.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -90.34 8.44 33.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.974 0.416 . . . . 2.22 110.807 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.72 23.24 53.81 Favored Glycine 0 N--CA 1.453 -0.2 0 CA-C-N 115.978 -0.555 . . . . 1.25 113.059 174.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -105.5 138.87 40.99 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.653 0.263 . . . . 2.14 111.197 -178.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -90.57 114.76 27.07 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.11 -0.7 . . . . 2.19 109.11 174.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 19.9 m -123.41 157.36 29.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.999 -0.546 . . . . 1.01 111.171 -174.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' THR . . . . . 0.414 ' HB ' HG23 ' B' ' 92' ' ' THR . 26.0 m -84.26 124.58 31.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.498 -0.774 . . . . 1.04 109.771 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.43 ' HA ' HG22 ' B' ' 91' ' ' THR . 42.4 t -88.8 137.95 20.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 116.171 -0.468 . . . . 1.1 111.304 -172.584 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 69.3 mt -111.63 116.18 30.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.13 -0.486 . . . . 1.91 109.717 176.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.45 ' HA ' ' CE2' ' B' ' 53' ' ' PHE . . . -68.6 -23.09 64.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.447 0.641 . . . . 2.18 110.462 178.33 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.401 ' HB3' ' HE ' ' B' ' 50' ' ' ARG . 6.4 pt-20 -106.09 126.19 51.91 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.938 -1.028 . . . . 3.59 109.39 177.002 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 19.1 m -90.11 98.8 8.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 121.904 0.859 . . . . 2.39 110.42 -178.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -85.73 97.52 10.19 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.206 -0.906 . . . . 3.25 109.39 178.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.409 HG21 HG21 ' A' ' 44' ' ' ILE . 53.0 mt -94.33 -70.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.781 -0.645 . . . . 2.77 109.428 178.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -164.39 95.15 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.519 -0.764 . . . . 3.84 109.155 175.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 10.1 t30 74.83 -45.67 0.58 Allowed 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.893 0.746 . . . . 4.76 111.313 -177.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 14.0 m -78.13 114.48 17.04 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.058 -0.349 . . . . 3.33 110.058 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 17.0 t -135.8 137.95 48.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.96 -0.564 . . . . 2.38 109.621 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -153.82 154.52 34.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.93 0.395 . . . . 4.13 111.015 177.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.401 ' HE ' ' HB3' ' B' ' 41' ' ' GLU . 93.7 mtt180 -117.75 135.2 54.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.639 -0.709 . . . . 4.84 109.999 176.041 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -120.9 -2.22 9.79 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.363 -0.606 . . . . 4.56 109.363 173.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' TYR . . . . . 0.493 ' CD1' ' HA2' ' B' ' 23' ' ' GLY . 13.5 m-30 70.75 175.74 0.29 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 114.777 -1.101 . . . . 2.45 110.463 -178.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 53' ' ' PHE . . . . . 0.45 ' CE2' ' HA ' ' B' ' 40' ' ' ALA . 91.5 m-85 -117.33 127.46 54.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.801 0.334 . . . . 1.16 111.036 179.697 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -84.69 110.64 18.91 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.81 -0.632 . . . . 3.56 110.856 -178.263 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -125.05 116.73 22.58 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.083 -0.508 . . . . 1.49 109.887 177.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' B' ' 19' ' ' SER . 52.7 m -100.6 110.44 22.58 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.101 0.477 . . . . 1.07 109.883 178.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -103.23 155.13 18.66 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.706 -0.679 . . . . 2.48 110.704 -172.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 75.7 m -79.62 123.33 27.53 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.901 -0.59 . . . . 1.73 111.124 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' ARG . . . . . 0.521 ' NE ' ' HB ' ' B' ' 18' ' ' VAL . 81.2 mtt180 -83.47 98.91 9.78 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.109 -0.701 . . . . 3.49 109.109 174.132 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . 64.59 -165.7 0.23 Allowed 'General case' 0 C--O 1.233 0.226 0 O-C-N 123.594 0.559 . . . . 2.58 110.125 -176.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 9.8 p -157.81 140.08 14.41 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 121.188 -0.205 . . . . 2.76 111.2 -179.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ASN . . . . . 0.476 ' HA ' ' O ' ' B' ' 67' ' ' GLY . 12.6 m120 63.09 74.66 0.44 Allowed Pre-proline 0 N--CA 1.468 0.429 0 O-C-N 123.842 0.714 . . . . 2.59 111.774 176.687 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -65.52 -22.16 59.09 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.394 2.063 . . . . 2.57 112.055 176.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 35.4 m -129.06 158.65 41.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.03 -0.532 . . . . 2.53 110.062 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' B' ' 66' ' ' SER . 0.3 OUTLIER -83.53 80.8 8.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.134 0.493 . . . . 4.2 109.747 -178.211 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 66' ' ' SER . . . . . 0.436 ' HB2' ' O ' ' B' ' 65' ' ' GLU . 9.5 t 173.93 -36.53 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.88 -1.054 . . . . 3.9 108.426 178.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.533 ' HA3' ' HB2' ' B' ' 78' ' ' SER . . . 164.45 -95.59 0.12 Allowed Glycine 0 N--CA 1.442 -0.942 0 CA-C-N 115.432 -0.804 . . . . 2.6 112.045 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 65.3 m -124.83 168.26 13.49 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.657 -0.497 . . . . 1.74 109.657 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -61.51 120.82 11.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.343 . . . . 3.95 110.41 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 112.68 -32.86 5.95 Favored Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 111.483 -0.647 . . . . 1.6 111.483 -176.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' ILE . . . . . 0.404 ' HA ' ' O ' ' A' ' 70' ' ' GLY . 30.0 mm -78.97 125.57 38.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 110.259 -0.274 . . . . 1.65 110.259 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -147.73 83.27 1.53 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.424 -0.584 . . . . 3.32 109.424 175.091 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 42.3 t -145.15 148.04 33.15 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.016 -0.538 . . . . 4.63 110.479 -175.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -96.43 -11.69 25.3 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.302 -0.629 . . . . 3.06 109.302 174.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -86.81 -28.98 22.61 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.512 -0.767 . . . . 3.51 109.856 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' TRP . . . . . 0.573 ' CE3' ' HB3' ' B' ' 112' ' ' LEU . 95.0 m95 -116.57 138.56 51.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.554 -0.748 . . . . 3.17 110.892 -177.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -115.9 133.25 56.22 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.111 -1.07 . . . . 2.7 108.111 167.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' SER . . . . . 0.533 ' HB2' ' HA3' ' B' ' 67' ' ' GLY . 1.4 m -120.55 149.94 41.64 Favored 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 120.345 -0.542 . . . . 1.93 110.78 -175.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -155.44 161.86 40.88 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.769 -0.65 . . . . 3.73 110.003 176.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.544 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 9.0 m -84.45 115.16 22.41 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.364 -0.835 . . . . 1.67 110.44 -173.592 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 88.1 m -124.72 133.24 53.25 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.069 -0.514 . . . . 2.25 110.097 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.488 ' HB ' ' HB2' ' B' ' 105' ' ' ASP . 3.0 p -81.55 131.53 35.28 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-O 120.977 0.417 . . . . 2.78 111.282 178.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 15.6 p -76.61 123.54 26.26 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 116.136 -0.483 . . . . 2.69 109.735 176.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' HIS . . . . . 0.537 ' HA ' ' O ' ' B' ' 104' ' ' ILE . 31.5 m80 -105.31 115.76 30.81 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.809 -0.441 . . . . 3.71 109.809 -176.14 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.71 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 6.2 t -118.91 162.81 17.88 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.066 -0.346 . . . . 1.48 110.066 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -102.42 116.74 33.25 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.867 0.365 . . . . 1.75 110.212 -176.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' B' ' 101' ' ' PHE . 21.7 m -109.62 142.32 22.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.11 -0.496 . . . . 1.08 110.919 -178.101 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -77.74 103.16 7.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.61 -0.723 . . . . 3.82 110.849 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.09 147.95 50.99 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.417 -0.81 . . . . 1.13 110.32 -179.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 15.6 tp -72.68 117.77 14.78 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.882 -0.784 . . . . 1.45 108.882 174.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' THR . . . . . 0.43 HG22 ' HA ' ' B' ' 38' ' ' VAL . 77.7 p -126.97 158.01 38.0 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.211 -0.449 . . . . 1.15 109.925 -178.061 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 92' ' ' THR . . . . . 0.414 HG23 ' HB ' ' B' ' 37' ' ' THR . 12.0 t -120.32 121.32 38.36 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.763 0.792 . . . . 1.32 110.222 178.135 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -68.93 -43.79 74.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.975 -1.011 . . . . 2.46 110.461 177.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -165.57 -70.09 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.105 -0.498 . . . . 3.09 110.605 177.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -99.61 -30.48 12.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.874 0.368 . . . . 3.3 111.161 -178.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -108.19 151.07 26.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.826 0.346 . . . . 2.74 111.383 -176.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -114.85 135.13 54.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.756 -0.657 . . . . 1.44 109.662 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.03 158.87 43.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.752 0.31 . . . . 1.39 110.485 -177.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -74.12 114.99 13.08 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.119 -0.491 . . . . 2.35 110.474 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 74.6 mmt-85 -122.45 173.11 7.86 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.956 -0.566 . . . . 3.48 109.852 178.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 101' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' B' ' 87' ' ' VAL . 15.4 m-85 -119.66 104.52 10.34 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.136 -0.69 . . . . 1.98 109.136 -174.462 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 30.2 pt -111.89 143.21 22.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.181 -0.463 . . . . 0.86 111.517 -168.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' ARG . . . . . 0.71 ' HA ' ' O ' ' B' ' 85' ' ' THR . 0.1 OUTLIER -79.34 128.55 33.47 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.529 -0.76 . . . . 3.72 111.122 -177.872 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 104' ' ' ILE . . . . . 0.537 ' O ' ' HA ' ' B' ' 84' ' ' HIS . 45.9 pt -130.22 153.05 38.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.447 -0.797 . . . . 0.83 110.098 175.374 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 105' ' ' ASP . . . . . 0.488 ' HB2' ' HB ' ' B' ' 82' ' ' THR . 4.9 p-10 -83.0 103.47 12.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.523 0.677 . . . . 1.69 109.988 176.029 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 8.6 m -90.8 -31.32 16.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.323 -0.853 . . . . 2.29 112.059 -170.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 107' ' ' ALA . . . . . 0.461 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -150.07 155.3 39.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.683 -0.235 . . . . 1.15 110.618 -178.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 108' ' ' CYS . . . . . 0.544 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 42.0 t -107.75 108.87 20.27 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.29 -0.633 . . . . 1.56 109.29 176.448 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 17.6 m -109.28 159.0 8.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.044 -0.525 . . . . 1.08 110.424 -175.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 13.6 t -97.73 107.58 20.11 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.727 -0.842 . . . . 1.45 108.727 176.195 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.479 ' O ' ' HA ' ' B' ' 78' ' ' SER . 27.2 m -93.33 153.58 3.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.295 -0.411 . . . . 1.52 110.795 -175.214 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.601 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 98.3 mt -102.03 142.25 33.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.973 -0.558 . . . . 1.67 110.638 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 32.7 t -123.1 138.51 54.65 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.713 -0.847 . . . . 2.62 108.713 170.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -80.07 -3.66 49.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 6.72 111.948 -173.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt 57.48 36.09 26.59 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.938 -0.574 . . . . 4.59 111.172 178.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -79.85 152.15 29.84 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.04 -0.527 . . . . 4.5 111.044 -176.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 32.8 p -128.99 151.46 49.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.07 -0.513 . . . . 5.74 110.224 177.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.963 0 CA-C-O 119.216 -0.421 . . . . 8.68 110.941 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 . . . . . 0 CA--C 1.521 -0.145 0 N-CA-C 109.846 -0.428 . . . . 3.6499999999999999 109.846 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.8 t -121.45 175.37 6.22 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.822 -0.351 . . . . 2.4199999999999999 110.488 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.2 m -61.78 -28.04 43.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.133 0.492 . . . . 1.4099999999999999 110.839 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.5 t -135.47 156.8 48.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.512 -0.767 . . . . 1.75 109.269 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -96.5 115.47 27.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.21 0.528 . . . . 2.8700000000000001 110.585 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.6 p -112.66 148.98 33.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.6 -0.727 . . . . 1.72 110.795 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -123.7 117.7 51.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.327 -0.397 . . . . 1.51 110.127 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.464 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 8.1 t -103.58 116.72 32.89 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.766 -0.457 . . . . 1.6599999999999999 109.766 -178.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.3 t -119.93 138.16 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.089 -0.505 . . . . 1.03 110.51 -177.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -90.76 95.19 10.01 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.126 -0.694 . . . . 1.6100000000000001 109.126 174.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.3 t -88.1 129.37 39.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.169 -0.923 . . . . 0.95999999999999996 110.908 -173.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -114.44 -16.01 7.9 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 110.941 -0.864 . . . . 1.27 110.941 173.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -89.22 21.89 3.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.949 0.404 . . . . 3.02 110.878 -176.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.566 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 40.1 tttp -76.38 111.64 12.04 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.623 -0.88 . . . . 1.3200000000000001 108.623 176.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.471 ' O ' ' HA ' ' A' ' 37' ' ' THR . 9.1 t -97.98 -17.23 19.3 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.564 0.221 . . . . 1.8200000000000001 111.595 -173.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 p -144.52 139.72 28.41 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.763 0.316 . . . . 1.01 111.145 -178.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.464 ' HB1' ' HB ' ' A' ' 102' ' ' ILE . . . -154.0 153.73 32.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.694 -0.685 . . . . 0.79000000000000004 110.021 176.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.0 m -95.21 121.1 36.5 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.544 -0.298 . . . . 1.02 110.679 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.449 ' OD1' ' HB3' ' A' ' 100' ' ' ARG . 21.5 t70 -67.39 161.18 25.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.926 -0.579 . . . . 1.8500000000000001 109.67 175.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.0 tt -59.8 -25.44 32.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.306 -0.406 . . . . 1.3300000000000001 111.6 -176.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -82.52 -2.43 53.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.933 0.397 . . . . 2.2200000000000002 110.835 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.84 25.23 25.52 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.966 -0.635 . . . . 1.25 112.188 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -99.31 119.04 37.28 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.496 -0.187 . . . . 2.1400000000000001 110.496 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -78.82 113.44 16.91 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.588 -0.893 . . . . 2.1899999999999999 108.588 176.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.7 m -122.48 157.12 27.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-O 121.281 0.562 . . . . 1.02 111.462 -172.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.499 ' HB ' HG23 ' A' ' 92' ' ' THR . 31.7 m -86.25 119.09 26.15 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 115.215 -0.902 . . . . 1.04 109.797 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.566 ' HB ' ' O ' ' A' ' 25' ' ' LYS . 41.7 t -89.6 138.99 18.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.696 -0.684 . . . . 1.1000000000000001 110.625 -176.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 42.5 mt -100.28 137.41 38.74 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.956 -0.565 . . . . 1.9099999999999999 109.48 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.11 -28.82 67.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.495 0.664 . . . . 2.1800000000000002 110.19 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -129.51 140.09 51.35 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.994 -1.003 . . . . 3.5899999999999999 109.136 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.429 HG12 ' HB3' ' A' ' 90' ' ' LEU . 33.6 m -89.49 115.48 29.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.578 0.704 . . . . 2.3999999999999999 110.48 -177.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -102.95 99.35 9.24 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.303 -0.862 . . . . 3.25 109.434 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.6 mt -82.64 -81.09 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.862 -0.422 . . . . 2.77 109.862 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -124.81 -68.09 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.48 -0.563 . . . . 3.8399999999999999 109.48 173.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -130.35 33.58 4.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.871 -0.604 . . . . 4.7599999999999998 109.965 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.8 m -139.89 124.1 17.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.841 -0.618 . . . . 3.3300000000000001 109.856 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 40.8 t -118.39 118.41 57.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.337 -0.392 . . . . 2.3700000000000001 110.666 -179.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -120.81 136.12 54.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.429 -0.35 . . . . 4.1299999999999999 110.645 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -80.51 105.73 11.98 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.932 -0.766 . . . . 4.8399999999999999 108.932 175.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.572 ' HB2' ' CD ' ' B' ' 88' ' ' LYS . 28.9 pt20 -82.68 -55.25 4.55 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.375 0.509 . . . . 4.5599999999999996 112.375 -170.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 64.01 161.12 0.11 Allowed 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.452 0.644 . . . . 2.46 111.819 -176.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -134.56 131.54 38.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.96 -0.564 . . . . 1.1599999999999999 110.686 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -84.43 94.94 8.63 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.468 0.652 . . . . 3.5600000000000001 110.023 177.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.524 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 19.5 mt-10 -101.17 112.45 24.94 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.929 -0.578 . . . . 1.49 110.054 -179.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 19' ' ' SER . 19.8 m -99.88 104.86 16.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.166 -0.925 . . . . 1.0700000000000001 110.133 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -103.39 165.04 11.27 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.857 -0.611 . . . . 2.48 110.376 -175.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 70.6 m -87.79 119.26 27.95 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.94 -0.573 . . . . 1.73 110.232 177.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -69.38 -31.04 69.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.517 0.675 . . . . 3.48 109.654 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -144.41 135.7 25.44 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.978 -1.01 . . . . 2.5800000000000001 109.104 176.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.9 p -78.9 -21.75 46.95 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.273 0.559 . . . . 2.7599999999999998 110.007 177.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -146.86 95.77 4.44 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 114.984 -1.007 . . . . 2.5899999999999999 109.042 176.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.72 -33.55 88.0 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.47 2.113 . . . . 2.5699999999999998 111.843 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.2 m -122.21 154.4 26.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.075 -0.511 . . . . 2.5299999999999998 109.733 174.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -77.67 67.45 3.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.026 0.441 . . . . 4.1900000000000004 110.825 -176.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.413 ' HB2' ' CB ' ' A' ' 73' ' ' SER . 81.5 p -179.5 -33.29 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.246 -0.888 . . . . 3.8999999999999999 109.932 -179.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 169.05 -112.11 0.46 Allowed Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.811 -0.631 . . . . 2.6000000000000001 111.68 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 95.7 m -117.29 161.01 20.19 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.976 -0.379 . . . . 1.73 109.976 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 69' ' ' ARG . 31.7 mtm180 -68.97 132.2 46.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.428 -0.351 . . . . 3.9399999999999999 110.902 -176.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.55 -28.68 8.03 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.043 -0.599 . . . . 1.6100000000000001 112.671 178.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.3 mm -69.89 134.64 29.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.835 0.35 . . . . 1.6499999999999999 111.405 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -68.74 95.09 0.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.148 -0.686 . . . . 3.3199999999999998 109.148 172.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.611 ' HA ' ' O ' ' A' ' 76' ' ' TRP . 15.8 m -78.24 9.18 4.01 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.12 -0.491 . . . . 4.6299999999999999 111.599 -172.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -90.87 -39.77 12.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.18 0.514 . . . . 3.0600000000000001 109.983 176.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -100.56 -27.86 13.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.749 -0.66 . . . . 3.5099999999999998 110.389 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.611 ' O ' ' HA ' ' A' ' 73' ' ' SER . 99.6 m95 -117.63 122.85 44.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.226 0.536 . . . . 3.1699999999999999 111.227 -178.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -93.04 135.07 34.55 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.153 -1.054 . . . . 2.6899999999999999 108.153 170.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.471 ' HA ' ' O ' ' A' ' 111' ' ' VAL . 1.4 m -132.38 149.36 52.37 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.709 -0.396 . . . . 1.9299999999999999 111.339 -172.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.9 p90 -158.25 152.33 24.05 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.821 -0.627 . . . . 3.73 109.66 170.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.606 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 38.2 m -88.34 115.02 25.54 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.6 -0.727 . . . . 1.6699999999999999 110.859 -176.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.6 m -103.77 127.69 51.22 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.638 -0.71 . . . . 2.2400000000000002 109.81 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.7 m -85.15 115.72 23.1 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.009 -0.367 . . . . 2.7799999999999998 110.009 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.6 p -81.96 134.01 35.35 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 120.978 0.418 . . . . 2.6899999999999999 110.972 -175.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -104.17 136.7 43.3 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.981 -0.554 . . . . 3.71 110.333 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.633 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 11.7 t -132.48 163.18 29.38 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.421 -0.585 . . . . 1.48 109.421 177.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.453 ' HB3' ' HB3' ' A' ' 101' ' ' PHE . 91.6 m-85 -107.34 116.87 32.7 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.918 0.39 . . . . 1.75 110.07 -176.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 101' ' ' PHE . 22.1 m -109.41 139.04 33.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.342 0.591 . . . . 1.0800000000000001 111.764 -175.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.561 ' CD ' ' HB2' ' B' ' 51' ' ' GLN . 10.0 pttp -67.13 103.47 1.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.706 -1.133 . . . . 3.8199999999999998 111.359 177.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.87 151.83 50.01 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.354 -0.839 . . . . 1.1299999999999999 110.7 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.429 ' HB3' HG12 ' A' ' 42' ' ' VAL . 23.1 tp -81.8 109.91 16.62 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.831 -0.803 . . . . 1.45 108.831 172.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 47.6 p -128.51 155.39 44.93 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.092 -0.504 . . . . 1.1399999999999999 110.381 -175.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.499 HG23 ' HB ' ' A' ' 37' ' ' THR . 9.7 t -117.65 123.43 46.1 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.25 0.548 . . . . 1.3200000000000001 110.152 178.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -74.59 -19.09 60.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.956 -0.566 . . . . 2.4700000000000002 110.108 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -166.11 -73.0 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.769 -0.651 . . . . 3.0899999999999999 109.617 177.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -136.33 25.6 3.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 3.29 110.836 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -134.92 106.63 6.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.246 -0.434 . . . . 2.7400000000000002 110.639 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.82 119.39 18.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.153 -0.476 . . . . 1.4399999999999999 110.239 177.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -140.82 150.99 44.0 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.098 -0.501 . . . . 1.3799999999999999 110.577 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -77.23 111.05 12.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.021 -0.536 . . . . 2.3500000000000001 110.485 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.449 ' HB3' ' OD1' ' A' ' 30' ' ' ASP . 42.7 mmt-85 -125.04 178.13 5.69 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.836 -0.62 . . . . 3.48 110.069 -178.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.453 ' HB3' ' HB3' ' A' ' 86' ' ' PHE . 77.3 m-85 -117.4 108.97 16.21 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.253 -0.647 . . . . 1.98 109.253 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.464 ' HB ' ' HB1' ' A' ' 28' ' ' ALA . 32.4 pt -111.78 144.29 19.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.25 0.548 . . . . 0.85999999999999999 111.358 -171.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.633 ' HA ' ' O ' ' A' ' 85' ' ' THR . 16.1 ptt180 -74.85 119.88 19.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.299 -0.864 . . . . 3.71 111.639 -176.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 40.9 pt -122.91 160.6 25.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.167 -0.924 . . . . 0.82999999999999996 109.137 171.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.524 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 61.3 m-20 -81.46 113.32 19.44 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.103 -0.703 . . . . 1.6899999999999999 109.103 176.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.4 t -95.47 -31.28 13.43 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.742 -0.383 . . . . 2.29 111.827 -172.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -157.05 166.08 34.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.107 0.48 . . . . 1.1399999999999999 111.684 -176.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.606 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 44.3 t -124.93 106.29 9.87 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.746 -0.835 . . . . 1.5600000000000001 108.746 176.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 18.8 m -105.46 142.29 18.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.045 0.45 . . . . 1.0700000000000001 111.262 -172.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.424 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 40.9 t -89.82 114.01 25.68 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.864 -0.791 . . . . 1.45 108.864 173.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.471 ' O ' ' HA ' ' A' ' 78' ' ' SER . 32.9 m -94.6 144.81 9.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 C-N-CA 120.697 -0.401 . . . . 1.52 110.213 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.55 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . 85.4 mt -113.24 138.8 49.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.059 -0.519 . . . . 1.6699999999999999 110.333 -178.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.6 t -133.07 148.58 52.18 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.786 -0.643 . . . . 2.6200000000000001 109.389 175.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 . . . . . 0 C--N 1.323 -0.568 0 C-N-CA 121.275 -0.17 . . . . 6.7300000000000004 110.866 179.263 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 . . . . . 0 CA--C 1.52 -0.198 0 N-CA-C 109.841 -0.429 . . . . 3.6499999999999999 109.841 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 20.8 t -121.9 175.32 6.37 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 120.933 -0.307 . . . . 2.4199999999999999 110.362 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 31.1 m -61.84 -28.0 43.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.14 0.495 . . . . 1.4099999999999999 110.857 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 49.3 t -135.44 156.62 48.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.519 -0.764 . . . . 1.75 109.356 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -96.18 115.52 27.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.031 0.443 . . . . 2.8700000000000001 110.612 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 20.1 p -112.59 149.25 33.04 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.768 -0.651 . . . . 1.72 110.656 -178.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -123.88 117.6 51.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.242 -0.435 . . . . 1.51 110.203 177.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.47 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 8.1 t -103.38 116.65 32.82 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.849 -0.426 . . . . 1.6599999999999999 109.849 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 60.5 t -119.78 138.16 51.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.247 -0.433 . . . . 1.03 110.645 -177.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 81.4 m95 -90.93 95.14 9.97 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.591 0.71 . . . . 1.6100000000000001 109.09 174.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 48.5 t -88.21 129.48 39.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.111 -0.95 . . . . 0.95999999999999996 110.898 -173.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -114.49 -16.29 7.7 Favored Glycine 0 N--CA 1.444 -0.796 0 N-CA-C 110.917 -0.873 . . . . 1.27 110.917 173.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -88.62 21.66 2.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 3.0099999999999998 110.843 -176.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.557 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 40.2 tttp -76.14 111.51 11.63 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.747 -0.834 . . . . 1.3200000000000001 108.747 176.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.481 ' O ' ' HA ' ' B' ' 37' ' ' THR . 9.5 t -97.82 -17.57 19.25 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 111.549 0.204 . . . . 1.8200000000000001 111.549 -173.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.4 p -144.13 139.79 29.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.795 0.331 . . . . 1.0 111.17 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.484 ' HB1' ' HB ' ' B' ' 102' ' ' ILE . . . -153.85 153.51 32.23 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.846 -0.616 . . . . 0.79000000000000004 110.052 176.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 3.0 m -95.17 120.99 36.34 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.572 -0.286 . . . . 1.01 110.757 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . 0.468 ' OD1' ' HB3' ' B' ' 100' ' ' ARG . 21.4 t70 -67.3 160.89 26.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.902 -0.59 . . . . 1.8400000000000001 109.742 175.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.7 tt -59.69 -25.33 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.25 -0.432 . . . . 1.3300000000000001 111.599 -176.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -82.89 -1.47 52.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.866 0.365 . . . . 2.2200000000000002 110.923 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.31 24.56 28.63 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.827 -0.702 . . . . 1.25 112.217 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -98.98 118.73 36.43 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.892 -0.181 . . . . 2.1400000000000001 110.555 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 28.7 tp10 -78.6 113.47 16.66 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.602 -0.888 . . . . 2.1899999999999999 108.602 176.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 28.1 m -122.47 157.1 27.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-O 121.206 0.527 . . . . 1.01 111.432 -172.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . 0.488 ' HB ' HG23 ' B' ' 92' ' ' THR . 32.3 m -86.39 118.95 26.15 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.201 -0.908 . . . . 1.04 109.697 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.557 ' HB ' ' O ' ' B' ' 25' ' ' LYS . 41.9 t -89.58 138.72 18.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 115.72 -0.673 . . . . 1.1000000000000001 110.59 -175.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 42.5 mt -100.0 137.61 38.21 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.881 -0.599 . . . . 1.9099999999999999 109.63 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.15 -29.11 67.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.648 0.737 . . . . 2.1800000000000002 110.361 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -129.09 140.06 51.74 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.744 -1.117 . . . . 3.5899999999999999 109.204 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.418 HG12 ' HB3' ' B' ' 90' ' ' LEU . 33.7 m -89.52 115.56 29.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.654 0.74 . . . . 2.3900000000000001 110.479 -177.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -102.83 99.34 9.28 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.29 -0.868 . . . . 3.25 109.336 177.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 62.2 mt -82.69 -81.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.81 -0.441 . . . . 2.77 109.81 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -124.68 -68.6 0.84 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.303 -0.629 . . . . 3.8399999999999999 109.303 173.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -129.92 33.51 4.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.854 -0.612 . . . . 4.7599999999999998 109.959 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 20.1 m -139.73 124.33 18.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.843 -0.617 . . . . 3.3300000000000001 109.793 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 40.9 t -118.57 118.84 59.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.34 -0.391 . . . . 2.3799999999999999 110.544 -179.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -121.47 135.91 55.0 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.577 -0.283 . . . . 4.1299999999999999 110.546 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 66.6 mtm180 -80.26 105.72 11.73 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.994 -0.743 . . . . 4.8399999999999999 108.994 175.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.561 ' HB2' ' CD ' ' A' ' 88' ' ' LYS . 29.0 pt20 -82.57 -55.06 4.69 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.523 0.564 . . . . 4.5599999999999996 112.523 -170.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 63.81 161.27 0.1 Allowed 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.605 0.717 . . . . 2.4500000000000002 111.767 -176.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -134.79 131.52 37.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.849 -0.614 . . . . 1.1599999999999999 110.706 177.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -84.36 94.97 8.6 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.477 0.656 . . . . 3.5600000000000001 109.983 177.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . 0.523 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 19.8 mt-10 -101.07 112.62 25.13 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.927 -0.578 . . . . 1.49 110.033 -179.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.47 ' HA ' ' HA ' ' B' ' 19' ' ' SER . 19.5 m -99.93 104.99 16.66 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.254 -0.884 . . . . 1.0700000000000001 110.194 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -103.39 165.21 11.17 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.755 -0.657 . . . . 2.48 110.388 -175.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 72.9 m -87.74 119.47 28.1 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.991 -0.55 . . . . 1.73 109.987 177.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -69.61 -31.05 68.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.375 0.607 . . . . 3.4900000000000002 109.555 176.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -144.35 135.58 25.41 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.031 -0.986 . . . . 2.5800000000000001 109.226 176.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 14.1 p -78.82 -21.73 47.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.267 0.556 . . . . 2.7599999999999998 110.027 178.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -146.75 95.5 4.52 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.036 -0.984 . . . . 2.5899999999999999 109.145 176.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' PRO . . . . . 0.406 ' HG2' ' HA ' ' B' ' 68' ' ' CYS . 12.1 Cg_endo -55.66 -32.85 85.3 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.451 2.101 . . . . 2.5699999999999998 111.972 -179.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 23.7 m -122.63 154.68 27.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.024 -0.535 . . . . 2.5299999999999998 109.765 174.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -78.19 67.68 4.06 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.925 0.393 . . . . 4.2000000000000002 110.649 -176.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . 0.425 ' HB2' ' CB ' ' B' ' 73' ' ' SER . 83.0 p -179.69 -33.21 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.253 -0.885 . . . . 3.8999999999999999 110.071 -179.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 169.06 -112.22 0.46 Allowed Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.912 -0.585 . . . . 2.6000000000000001 111.677 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.406 ' HA ' ' HG2' ' B' ' 63' ' ' PRO . 95.3 m -117.19 160.93 20.28 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.955 -0.387 . . . . 1.74 109.955 177.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 31.5 mtm180 -68.88 131.99 46.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.527 -0.306 . . . . 3.9500000000000002 110.83 -176.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.58 -27.8 9.22 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.973 -0.632 . . . . 1.6000000000000001 112.531 178.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 47.4 mm -70.55 134.33 30.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.883 0.373 . . . . 1.6499999999999999 111.439 -177.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -68.64 95.29 0.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.127 -0.694 . . . . 3.3199999999999998 109.127 172.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.599 ' HA ' ' O ' ' B' ' 76' ' ' TRP . 15.8 m -78.24 9.34 3.88 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.126 -0.488 . . . . 4.6299999999999999 111.659 -172.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -91.2 -39.39 12.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.013 0.435 . . . . 3.0600000000000001 110.001 176.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -100.69 -27.57 13.3 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.945 -0.57 . . . . 3.5099999999999998 110.577 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' TRP . . . . . 0.599 ' O ' ' HA ' ' B' ' 73' ' ' SER . 99.7 m95 -117.94 122.71 43.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.222 0.534 . . . . 3.1699999999999999 111.197 -178.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -92.93 135.13 34.42 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.193 -1.039 . . . . 2.7000000000000002 108.193 170.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.467 ' HA ' ' O ' ' B' ' 111' ' ' VAL . 1.4 m -132.53 149.15 52.37 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.899 0.38 . . . . 1.9299999999999999 111.419 -172.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -158.11 152.4 24.41 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.841 -0.618 . . . . 3.73 109.62 170.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.615 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 38.0 m -88.32 115.21 25.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.589 -0.732 . . . . 1.6699999999999999 110.857 -176.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 12.4 m -103.92 127.66 51.44 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.788 -0.642 . . . . 2.25 109.753 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.7 m -85.24 115.65 23.13 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 110.026 -0.361 . . . . 2.7799999999999998 110.026 177.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 19.7 p -81.89 134.1 35.37 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 120.971 0.415 . . . . 2.6899999999999999 111.088 -175.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -104.11 136.96 42.76 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.031 -0.531 . . . . 3.71 110.27 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.618 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 11.4 t -132.69 162.97 30.01 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.37 -0.604 . . . . 1.48 109.37 177.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.443 ' HB3' ' HB3' ' B' ' 101' ' ' PHE . 91.4 m-85 -107.11 116.98 32.88 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.893 0.377 . . . . 1.75 110.191 -176.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 21.4 m -109.56 139.04 34.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.452 0.644 . . . . 1.0800000000000001 111.723 -175.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . 0.572 ' CD ' ' HB2' ' A' ' 51' ' ' GLN . 9.9 pttp -67.14 103.44 1.21 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.704 -1.134 . . . . 3.8199999999999998 111.331 177.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.83 151.84 49.97 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.404 -0.816 . . . . 1.1299999999999999 110.759 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . 0.418 ' HB3' HG12 ' B' ' 42' ' ' VAL . 23.1 tp -81.72 109.98 16.63 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.87 -0.789 . . . . 1.45 108.87 173.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 47.5 p -128.66 155.35 45.15 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.195 -0.457 . . . . 1.1499999999999999 110.537 -175.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . 0.488 HG23 ' HB ' ' B' ' 37' ' ' THR . 9.8 t -117.61 123.38 46.02 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.227 0.537 . . . . 1.3200000000000001 110.087 178.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -74.4 -19.51 60.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.015 -0.538 . . . . 2.46 110.184 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -165.75 -73.31 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.607 -0.724 . . . . 3.0899999999999999 109.702 177.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -136.0 25.4 3.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.771 0.32 . . . . 3.2999999999999998 110.972 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -134.77 106.46 6.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.306 -0.406 . . . . 2.7400000000000002 110.752 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.46 119.77 19.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.076 -0.511 . . . . 1.4399999999999999 110.214 177.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -141.04 150.91 43.58 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.211 -0.45 . . . . 1.3899999999999999 110.62 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -77.27 111.3 12.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.987 -0.551 . . . . 2.3500000000000001 110.464 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' ARG . . . . . 0.468 ' HB3' ' OD1' ' B' ' 30' ' ' ASP . 42.5 mmt-85 -125.25 178.17 5.73 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.757 -0.656 . . . . 3.48 110.167 -178.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.443 ' HB3' ' HB3' ' B' ' 86' ' ' PHE . 78.0 m-85 -117.52 108.94 16.11 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.181 -0.674 . . . . 1.98 109.181 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' ILE . . . . . 0.484 ' HB ' ' HB1' ' B' ' 28' ' ' ALA . 32.9 pt -111.66 144.28 19.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.138 0.494 . . . . 0.85999999999999999 111.339 -171.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . 0.618 ' HA ' ' O ' ' B' ' 85' ' ' THR . 16.1 ptt180 -74.91 119.83 19.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.422 -0.808 . . . . 3.7200000000000002 111.673 -176.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 41.3 pt -122.9 160.32 25.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.261 -0.882 . . . . 0.82999999999999996 109.13 171.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . 0.523 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 61.1 m-20 -81.14 113.3 19.21 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.159 -0.682 . . . . 1.6899999999999999 109.159 176.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 6.4 t -95.44 -31.39 13.4 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.861 -0.336 . . . . 2.29 111.777 -172.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -157.01 166.2 34.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.165 0.507 . . . . 1.1499999999999999 111.644 -176.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . 0.615 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 44.2 t -124.98 106.28 9.84 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.728 -0.841 . . . . 1.5600000000000001 108.728 176.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 18.9 m -105.47 142.37 18.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.04 0.448 . . . . 1.0800000000000001 111.192 -172.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.429 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 40.6 t -89.94 113.93 25.66 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.879 -0.786 . . . . 1.45 108.879 173.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' B' ' 78' ' ' SER . 32.8 m -94.51 144.8 9.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 C-N-CA 120.711 -0.396 . . . . 1.52 110.179 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.559 ' HB3' ' CE3' ' B' ' 76' ' ' TRP . 85.4 mt -113.28 138.73 49.58 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.006 -0.543 . . . . 1.6699999999999999 110.396 -178.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 42.1 t -133.07 148.37 52.19 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.166 -0.679 . . . . 2.6200000000000001 109.166 175.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 . . . . . 0 C--N 1.325 -0.498 0 C-N-CA 121.202 -0.199 . . . . 6.7199999999999998 110.872 179.181 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.492 ' HB2' ' O ' ' B' ' 112' ' ' LEU . 89.5 m-85 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.636 -0.505 . . . . 3.6499999999999999 109.636 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.6 t -58.22 128.87 39.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.733 -0.667 . . . . 2.4199999999999999 110.507 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.417 HG12 ' HG ' ' B' ' 112' ' ' LEU . 17.3 m -58.96 -32.74 48.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 CA-C-N 115.52 -0.764 . . . . 1.4099999999999999 111.132 178.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.1 t -112.07 139.17 47.81 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.184 -0.462 . . . . 1.75 110.704 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -88.22 117.4 27.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.178 0.513 . . . . 2.8700000000000001 109.677 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.8 p -130.81 164.05 26.03 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.019 -0.537 . . . . 1.72 110.859 -176.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 56' ' ' THR . 2.5 p -108.79 114.63 47.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.958 -0.565 . . . . 1.51 109.595 176.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 21.6 t -112.33 105.51 13.81 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.923 -0.581 . . . . 1.6599999999999999 109.915 -176.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.4 t -128.15 141.8 45.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.965 -0.561 . . . . 1.03 110.85 -175.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.444 ' HA ' ' O ' ' A' ' 53' ' ' PHE . 83.7 m95 -85.64 95.55 9.39 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.589 -0.893 . . . . 1.6100000000000001 108.589 171.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 81.7 t -90.76 118.04 35.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.272 -0.877 . . . . 0.95999999999999996 111.222 -172.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.02 15.39 40.07 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.859 -0.686 . . . . 1.27 111.433 177.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -122.36 20.25 10.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.728 0.299 . . . . 3.02 110.931 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.449 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 84.1 tttt -78.25 101.68 7.25 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.254 -0.647 . . . . 1.3200000000000001 109.254 177.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -93.13 -12.39 30.53 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.16 -0.473 . . . . 1.8200000000000001 112.199 -171.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.6 p -134.84 132.64 38.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.098 0.475 . . . . 1.01 111.285 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.51 155.97 42.39 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.115 -0.493 . . . . 0.79000000000000004 110.541 177.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.5 m -98.02 123.79 42.2 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.293 -0.412 . . . . 1.02 111.428 -177.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.456 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 13.0 t70 -65.76 158.63 27.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.637 -0.71 . . . . 1.8500000000000001 109.234 174.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.403 ' HA ' ' CE2' ' A' ' 86' ' ' PHE . 16.5 tt -59.05 -18.86 14.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.985 -0.552 . . . . 1.3300000000000001 111.932 -176.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -87.17 -11.19 50.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.81 0.338 . . . . 2.2200000000000002 111.142 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.54 18.7 15.52 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.682 -0.77 . . . . 1.25 112.827 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -99.41 122.18 42.17 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.79 -0.241 . . . . 2.1400000000000001 110.64 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -83.79 115.22 22.12 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.08 0.467 . . . . 2.1899999999999999 109.821 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.5 m -118.09 161.42 17.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.799 -0.637 . . . . 1.02 111.166 -174.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.476 ' HB ' HG23 ' A' ' 92' ' ' THR . 17.8 m -87.22 116.95 25.65 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.274 -0.875 . . . . 1.04 110.074 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.508 ' HA ' HG22 ' A' ' 91' ' ' THR . 43.3 t -85.68 136.53 22.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.992 -0.549 . . . . 1.1000000000000001 110.953 -175.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.4 mt -92.21 127.48 37.7 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.906 -0.775 . . . . 1.9099999999999999 108.906 174.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.46 -9.32 58.47 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.138 0.422 . . . . 2.1800000000000002 112.138 -171.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -140.0 113.1 8.25 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.567 0.698 . . . . 3.5899999999999999 112.261 -177.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 p -155.34 96.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.127 -0.942 . . . . 2.3999999999999999 109.42 169.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.492 ' H ' HG13 ' A' ' 48' ' ' VAL . 65.4 m-80 -144.03 116.43 8.55 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.791 -0.641 . . . . 3.25 110.931 -178.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 74.1 mt 70.42 132.78 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-O 121.551 0.691 . . . . 2.77 112.166 172.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.33 62.74 7.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.355 0.597 . . . . 3.8399999999999999 109.872 176.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -167.33 -54.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.437 -0.801 . . . . 4.7599999999999998 109.817 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.9 t -136.91 113.82 10.47 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.105 -0.702 . . . . 3.3300000000000001 109.105 174.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.492 HG13 ' H ' ' A' ' 43' ' ' ASN . 82.0 t -99.66 116.73 43.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.159 -0.473 . . . . 2.3700000000000001 111.632 -172.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -111.52 174.85 5.67 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.845 -0.616 . . . . 4.1299999999999999 109.94 173.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -84.74 160.65 20.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.036 0.446 . . . . 4.8399999999999999 111.196 -176.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.42 ' HB3' HD21 ' A' ' 43' ' ' ASN . 13.6 pt20 -128.21 165.3 20.72 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.862 -0.608 . . . . 4.5599999999999996 110.545 -178.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -124.79 151.22 45.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.107 -0.497 . . . . 2.46 109.996 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.444 ' O ' ' HA ' ' A' ' 21' ' ' TRP . 85.0 m-85 -107.15 143.6 35.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.217 -0.447 . . . . 1.1599999999999999 110.033 176.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -84.14 94.72 8.42 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.711 -0.478 . . . . 3.5600000000000001 109.711 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.475 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 2.9 mm-40 -106.45 106.45 16.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.009 -0.541 . . . . 1.49 110.688 -176.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 29.4 m -111.73 99.08 7.86 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.796 -0.638 . . . . 1.0700000000000001 109.717 177.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.4 ' HB2' ' HE3' ' A' ' 57' ' ' LYS . 38.0 ttmt -105.02 139.43 39.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.099 -0.5 . . . . 2.48 111.113 -173.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 66.0 m -74.75 110.83 9.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.611 -0.722 . . . . 1.73 110.624 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -102.52 6.07 39.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.988 -0.551 . . . . 3.48 110.751 -177.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -145.85 144.31 30.16 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.555 -0.748 . . . . 2.5800000000000001 109.313 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.9 m -158.49 39.08 0.24 Allowed 'General case' 0 C--O 1.234 0.283 0 N-CA-C 111.858 0.318 . . . . 2.7599999999999998 111.858 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.532 ' OD1' ' HB2' ' A' ' 66' ' ' SER . 3.1 p-10 -112.08 124.24 32.64 Favored Pre-proline 0 C--N 1.326 -0.453 0 C-N-CA 120.573 -0.451 . . . . 2.5899999999999999 110.146 176.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.466 ' HA ' ' OG ' ' A' ' 78' ' ' SER . 37.2 Cg_exo -21.99 -64.16 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.713 1 C-N-CA 126.173 4.582 . . . . 2.5699999999999998 116.706 -164.462 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.521 HG23 ' H ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER -95.91 -92.75 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 113.603 0.964 . . . . 2.5299999999999998 113.603 -168.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.521 ' H ' HG23 ' A' ' 64' ' ' VAL . 10.5 pt-20 -49.74 -38.45 33.63 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 113.429 0.9 . . . . 4.1900000000000004 113.429 -169.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.532 ' HB2' ' OD1' ' A' ' 62' ' ' ASN . 14.8 m -128.58 48.46 2.31 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.515 0.674 . . . . 3.8999999999999999 109.847 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -138.25 -84.77 0.13 Allowed Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.195 -0.911 . . . . 2.6000000000000001 111.029 177.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.481 ' SG ' ' HB2' ' A' ' 78' ' ' SER . 84.9 m -134.74 -25.4 1.44 Allowed 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.893 -0.323 . . . . 1.73 111.202 176.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 67.81 151.19 0.07 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.014 0.526 . . . . 3.9399999999999999 111.323 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 77.24 -38.78 1.61 Allowed Glycine 0 CA--C 1.52 0.395 0 C-N-CA 121.018 -0.611 . . . . 1.6100000000000001 112.834 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.4 mm -55.62 134.53 19.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 123.036 0.534 . . . . 1.6499999999999999 111.324 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -76.19 114.86 15.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.985 -0.552 . . . . 3.3199999999999998 110.155 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.3 p -79.67 -6.77 57.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.948 0.404 . . . . 4.6299999999999999 111.66 -175.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -79.48 -47.62 15.32 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.58 -0.282 . . . . 3.0600000000000001 110.374 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -96.73 -28.27 14.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.175 -0.466 . . . . 3.5099999999999998 111.228 -178.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -121.54 157.43 30.72 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.437 0.637 . . . . 3.1699999999999999 111.215 -176.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -124.9 133.16 53.17 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.319 -0.993 . . . . 2.6899999999999999 108.319 169.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.481 ' HB2' ' SG ' ' A' ' 68' ' ' CYS . 2.1 p -104.17 133.86 48.39 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.103 0.478 . . . . 1.9299999999999999 110.861 -177.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.464 ' O ' HG22 ' A' ' 111' ' ' VAL . 72.0 t80 -140.58 140.38 35.13 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.777 -0.647 . . . . 3.73 110.021 -178.14 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.502 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 66.8 m -95.14 119.06 32.99 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.266 -0.425 . . . . 1.6699999999999999 110.207 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.1 m -110.37 131.89 54.66 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.36 -0.382 . . . . 2.2400000000000002 110.611 -178.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.5 103.25 13.48 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 121.09 0.471 . . . . 2.7799999999999998 111.22 177.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.0 m -76.35 130.52 38.2 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 109.229 -0.656 . . . . 2.6899999999999999 109.229 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.503 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 64.5 m-70 -105.03 134.09 48.71 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.468 -0.333 . . . . 3.71 110.399 -176.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.649 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 3.0 t -108.8 162.79 13.85 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.899 -0.778 . . . . 1.48 108.899 175.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' A' ' 103' ' ' ARG . 97.3 m-85 -109.27 116.07 31.2 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.051 0.453 . . . . 1.75 110.598 -176.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.2 m -110.8 138.42 39.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.636 -0.711 . . . . 1.0800000000000001 109.976 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.5 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 13.8 pttp -88.8 107.73 19.13 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.553 0.692 . . . . 3.8199999999999998 110.575 -179.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.61 153.93 46.75 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.326 -0.852 . . . . 1.1299999999999999 110.333 -177.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.4 ' HG ' ' HB1' ' A' ' 97' ' ' ALA . 19.4 tp -75.14 104.92 5.9 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.45 -0.574 . . . . 1.45 109.45 177.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.508 HG22 ' HA ' ' A' ' 38' ' ' VAL . 52.3 p -123.05 157.79 32.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.288 -0.415 . . . . 1.1399999999999999 110.056 -178.14 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.476 HG23 ' HB ' ' A' ' 37' ' ' THR . 8.8 t -112.63 125.84 54.72 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.334 0.588 . . . . 1.3200000000000001 110.375 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -68.06 -33.84 75.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.455 -0.793 . . . . 2.4700000000000002 109.895 178.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -169.52 -40.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.676 -0.693 . . . . 3.0899999999999999 110.355 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -131.85 -67.37 0.68 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.481 . . . . 3.29 110.644 -178.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -73.45 139.49 45.84 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.981 -0.554 . . . . 2.7400000000000002 111.039 -177.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.4 ' HB1' ' HG ' ' A' ' 90' ' ' LEU . . . -95.98 131.06 42.75 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.727 -0.669 . . . . 1.4399999999999999 110.087 178.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.94 150.66 40.04 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.401 -0.363 . . . . 1.3799999999999999 110.432 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -69.7 109.7 4.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.106 -0.497 . . . . 2.3500000000000001 110.292 177.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.5 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 34.2 mmt180 -113.82 153.06 29.77 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.092 -0.504 . . . . 3.48 109.871 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.456 ' O ' ' HA ' ' A' ' 30' ' ' ASP . 86.3 m-85 -92.37 103.58 16.01 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.927 -0.768 . . . . 1.98 108.927 174.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 30.6 pt -112.17 143.33 22.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.168 0.508 . . . . 0.85999999999999999 110.756 -172.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.649 ' HA ' ' O ' ' A' ' 85' ' ' THR . 38.1 ptt180 -85.51 133.55 34.08 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.681 -0.69 . . . . 3.71 111.382 -175.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.503 ' O ' ' HA ' ' A' ' 84' ' ' HIS . 40.8 pt -122.61 152.84 27.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 CA-C-N 115.482 -0.781 . . . . 0.82999999999999996 109.991 175.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.475 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 4.7 m-20 -72.51 100.75 2.8 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 108.628 -0.879 . . . . 1.6899999999999999 108.628 178.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.23 -46.77 5.71 Favored 'General case' 0 C--N 1.315 -0.933 0 C-N-CA 120.605 -0.438 . . . . 2.29 112.069 -168.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -132.81 141.72 48.62 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.895 0.379 . . . . 1.1399999999999999 111.239 -174.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.502 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 45.9 t -107.37 98.76 8.35 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.467 -0.938 . . . . 1.5600000000000001 108.467 174.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 32.4 m -99.12 143.67 13.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.117 -0.492 . . . . 1.0700000000000001 111.559 -171.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 35.1 t -86.7 113.25 22.4 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.777 -0.647 . . . . 1.45 109.423 174.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 79' ' ' TYR . 23.6 m -108.35 145.63 15.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.168 -0.469 . . . . 1.52 109.866 178.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.436 ' O ' ' HB2' ' B' ' 12' ' ' PHE . 67.7 mt -106.66 138.18 43.31 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.216 0.532 . . . . 1.6699999999999999 110.705 178.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.3 t -114.95 138.78 50.43 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 108.721 -0.844 . . . . 2.6200000000000001 108.721 173.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 . . . . . 0 C--N 1.326 -0.419 0 CA-C-O 121.187 0.518 . . . . 6.7300000000000004 109.974 -179.2 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . 0.436 ' HB2' ' O ' ' A' ' 112' ' ' LEU . 89.6 m-85 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.606 -0.516 . . . . 3.6499999999999999 109.606 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 48.4 t -58.29 128.97 39.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.725 -0.671 . . . . 2.4199999999999999 110.346 -179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.4 m -58.9 -32.96 48.4 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.172 0 CA-C-N 115.707 -0.679 . . . . 1.4099999999999999 111.193 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 50.7 t -111.9 138.99 47.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.219 -0.446 . . . . 1.75 110.639 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -87.84 117.36 26.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.081 -0.509 . . . . 2.8700000000000001 109.696 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.4 p -130.82 164.19 25.73 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.055 -0.521 . . . . 1.72 110.642 -176.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' B' ' 56' ' ' THR . 2.5 p -108.86 114.65 47.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.558 -0.534 . . . . 1.51 109.558 176.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.411 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 20.9 t -112.27 105.93 14.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.931 -0.577 . . . . 1.6599999999999999 109.871 -176.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 91.4 t -128.45 141.39 46.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.806 -0.634 . . . . 1.03 110.964 -175.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . 0.441 ' HA ' ' O ' ' B' ' 53' ' ' PHE . 84.4 m95 -85.1 95.41 9.11 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.769 -0.826 . . . . 1.6100000000000001 108.769 170.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 82.5 t -90.77 117.89 34.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.237 -0.892 . . . . 0.95999999999999996 111.224 -172.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.04 15.04 40.34 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.781 -0.723 . . . . 1.27 111.463 177.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -122.1 20.79 10.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.718 0.295 . . . . 3.0099999999999998 110.872 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.448 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 84.2 tttt -78.55 102.34 7.87 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.181 -0.674 . . . . 1.3200000000000001 109.181 177.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 9.9 t -94.05 -12.43 28.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.227 -0.442 . . . . 1.8200000000000001 112.123 -171.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 6.6 p -134.6 132.57 39.19 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.87 0.367 . . . . 1.0 111.344 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.4 ' HB1' ' HB ' ' B' ' 102' ' ' ILE . . . -147.49 156.11 42.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.126 -0.488 . . . . 0.79000000000000004 110.539 177.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 23.4 m -98.21 123.88 42.5 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.377 -0.374 . . . . 1.01 111.376 -177.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . 0.451 ' HA ' ' O ' ' B' ' 101' ' ' PHE . 11.9 t70 -65.66 158.82 26.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.637 -0.711 . . . . 1.8400000000000001 109.155 174.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 16.4 tt -59.47 -18.29 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.855 -0.612 . . . . 1.3300000000000001 111.91 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 39.3 mttp -87.77 -10.67 50.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.816 0.341 . . . . 2.2200000000000002 111.18 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.06 18.46 17.37 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.642 -0.789 . . . . 1.25 112.728 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -99.13 122.34 42.22 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.865 -0.197 . . . . 2.1400000000000001 110.642 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -83.86 115.3 22.19 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.08 0.467 . . . . 2.1899999999999999 109.79 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 m -118.2 161.59 16.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.649 -0.705 . . . . 1.01 111.274 -174.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . 0.464 ' HB ' HG23 ' B' ' 92' ' ' THR . 18.6 m -87.69 116.56 25.92 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.365 -0.834 . . . . 1.04 110.023 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.515 ' HA ' HG22 ' B' ' 91' ' ' THR . 42.7 t -85.43 136.32 23.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.877 -0.601 . . . . 1.1000000000000001 111.086 -175.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 68.1 mt -92.03 127.39 37.48 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.895 -0.78 . . . . 1.9099999999999999 108.895 175.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.25 -9.24 58.38 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.176 0.435 . . . . 2.1800000000000002 112.176 -171.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -140.01 113.09 8.24 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 121.654 0.74 . . . . 3.5899999999999999 112.236 -177.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 p -155.4 96.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.161 -0.927 . . . . 2.3900000000000001 109.308 169.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.51 ' H ' HG13 ' B' ' 48' ' ' VAL . 65.3 m-80 -144.13 116.14 8.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.876 -0.602 . . . . 3.25 110.948 -178.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 74.0 mt 70.47 132.81 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 121.589 0.709 . . . . 2.77 112.214 172.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.96 62.21 7.31 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.168 0.508 . . . . 3.8399999999999999 110.0 176.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -166.72 -55.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.596 -0.729 . . . . 4.7599999999999998 109.645 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 23.0 t -136.5 113.88 10.83 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.111 -0.7 . . . . 3.3300000000000001 109.111 174.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.51 HG13 ' H ' ' B' ' 43' ' ' ASN . 84.5 t -99.65 116.81 43.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.201 -0.454 . . . . 2.3799999999999999 111.706 -172.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -111.66 174.86 5.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.912 -0.585 . . . . 4.1299999999999999 109.786 173.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -84.88 160.47 20.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.023 0.44 . . . . 4.8399999999999999 111.262 -176.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.424 ' HB3' HD21 ' B' ' 43' ' ' ASN . 13.6 pt20 -128.03 165.0 21.15 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.757 -0.656 . . . . 4.5599999999999996 110.605 -178.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -124.57 151.08 45.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.167 -0.47 . . . . 2.4500000000000002 110.196 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . 0.441 ' O ' ' HA ' ' B' ' 21' ' ' TRP . 84.9 m-85 -107.04 143.76 34.68 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.122 -0.49 . . . . 1.1599999999999999 110.016 176.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -84.38 94.9 8.59 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.692 -0.485 . . . . 3.5600000000000001 109.692 -178.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . 0.458 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 2.9 mm-40 -106.75 106.34 16.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 1.49 110.571 -176.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.444 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 30.0 m -111.82 98.95 7.75 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.873 -0.603 . . . . 1.0700000000000001 109.694 177.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -104.91 139.12 40.11 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.144 0.497 . . . . 2.48 111.226 -172.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 66.0 m -74.34 111.1 9.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.689 -0.687 . . . . 1.73 110.603 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -103.02 6.16 38.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.969 -0.559 . . . . 3.4900000000000002 110.503 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -145.88 144.35 30.15 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.809 -0.632 . . . . 2.5800000000000001 109.454 178.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 70.1 m -158.32 38.48 0.25 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.947 0.351 . . . . 2.7599999999999998 111.947 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . 0.543 ' OD1' ' HB2' ' B' ' 66' ' ' SER . 3.1 p-10 -111.85 124.26 32.74 Favored Pre-proline 0 C--N 1.326 -0.419 0 C-N-CA 120.351 -0.54 . . . . 2.5899999999999999 110.192 176.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' PRO . . . . . 0.462 ' HA ' ' OG ' ' B' ' 78' ' ' SER . 36.4 Cg_exo -21.85 -64.47 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.692 1 C-N-CA 126.137 4.558 . . . . 2.5699999999999998 116.706 -164.479 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' VAL . . . . . 0.529 HG23 ' H ' ' B' ' 65' ' ' GLU . 0.4 OUTLIER -95.46 -92.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 113.641 0.978 . . . . 2.5299999999999998 113.641 -169.013 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . 0.529 ' H ' HG23 ' B' ' 64' ' ' VAL . 10.6 pt-20 -49.49 -38.85 31.69 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.292 0.849 . . . . 4.2000000000000002 113.292 -169.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . 0.543 ' HB2' ' OD1' ' B' ' 62' ' ' ASN . 14.2 m -128.46 48.15 2.35 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.563 0.696 . . . . 3.8999999999999999 109.757 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -137.94 -85.02 0.14 Allowed Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.102 -0.954 . . . . 2.6000000000000001 110.963 177.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.475 ' SG ' ' HB2' ' B' ' 78' ' ' SER . 84.0 m -134.49 -25.24 1.51 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.864 -0.334 . . . . 1.74 111.312 176.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 67.77 151.16 0.07 Allowed 'General case' 0 N--CA 1.472 0.626 0 O-C-N 123.557 0.535 . . . . 3.9500000000000002 111.285 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 77.12 -38.37 1.57 Allowed Glycine 0 CA--C 1.519 0.311 0 C-N-CA 121.02 -0.61 . . . . 1.6000000000000001 112.876 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 48.7 mm -55.76 135.21 19.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 122.958 0.503 . . . . 1.6499999999999999 111.371 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -76.75 114.26 15.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.908 -0.587 . . . . 3.3199999999999998 110.072 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 29.1 p -79.01 -7.07 57.79 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.162 -0.472 . . . . 4.6299999999999999 111.759 -175.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -79.46 -47.49 15.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.985 0.421 . . . . 3.0600000000000001 110.24 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -96.72 -28.59 14.23 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.041 -0.527 . . . . 3.5099999999999998 111.224 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -121.08 157.41 30.12 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.329 0.585 . . . . 3.1699999999999999 111.29 -176.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -124.77 133.17 53.24 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.285 -1.006 . . . . 2.7000000000000002 108.285 169.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.475 ' HB2' ' SG ' ' B' ' 68' ' ' CYS . 2.0 p -104.24 134.1 48.05 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.104 0.478 . . . . 1.9299999999999999 110.887 -177.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . 0.457 ' O ' HG22 ' B' ' 111' ' ' VAL . 73.2 t80 -140.91 140.34 34.49 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.618 -0.719 . . . . 3.73 110.04 -178.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.496 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 67.0 m -95.2 118.98 32.93 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.211 -0.45 . . . . 1.6699999999999999 110.224 179.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 22.5 m -110.39 131.99 54.57 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.341 -0.391 . . . . 2.25 110.624 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.55 103.06 13.35 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.085 -0.507 . . . . 2.7799999999999998 111.287 177.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 9.5 m -76.26 130.43 38.15 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 109.385 -0.598 . . . . 2.6899999999999999 109.385 176.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' HIS . . . . . 0.493 ' HA ' ' O ' ' B' ' 104' ' ' ILE . 65.8 m-70 -105.04 133.91 49.02 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.398 -0.365 . . . . 3.71 110.464 -176.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.637 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 3.1 t -108.88 162.7 13.95 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.9 -0.778 . . . . 1.48 108.9 175.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.495 ' CE2' ' HB3' ' B' ' 103' ' ' ARG . 97.2 m-85 -109.15 115.94 30.99 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.095 0.474 . . . . 1.75 110.594 -176.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 27.3 m -110.76 138.51 38.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.662 -0.699 . . . . 1.0800000000000001 109.94 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . 0.501 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 13.9 pttp -88.89 107.67 19.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.519 0.676 . . . . 3.8199999999999998 110.511 -179.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.58 153.89 46.76 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.248 -0.887 . . . . 1.1299999999999999 110.382 -177.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 19.1 tp -75.04 105.0 5.84 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.521 -0.548 . . . . 1.45 109.521 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' THR . . . . . 0.515 HG22 ' HA ' ' B' ' 38' ' ' VAL . 55.6 p -123.2 157.71 32.43 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.294 -0.412 . . . . 1.1499999999999999 109.973 -178.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . 0.464 HG23 ' HB ' ' B' ' 37' ' ' THR . 8.6 t -112.66 125.8 54.69 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.512 0.673 . . . . 1.3200000000000001 110.413 -179.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -67.97 -33.87 75.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.395 -0.821 . . . . 2.46 110.004 178.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -169.78 -40.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.599 -0.728 . . . . 3.0899999999999999 110.394 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -132.17 -67.93 0.64 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.213 -0.449 . . . . 3.2999999999999998 110.533 -178.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -72.82 139.7 47.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.954 -0.566 . . . . 2.7400000000000002 111.137 -178.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.54 130.85 43.64 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.658 -0.701 . . . . 1.4399999999999999 110.176 178.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.65 150.84 40.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.395 -0.366 . . . . 1.3899999999999999 110.525 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -69.83 110.01 4.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.139 -0.482 . . . . 2.3500000000000001 110.198 177.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' ARG . . . . . 0.501 ' O ' ' HA ' ' B' ' 88' ' ' LYS . 34.0 mmt180 -114.06 153.3 29.68 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.961 -0.563 . . . . 3.48 109.806 179.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.451 ' O ' ' HA ' ' B' ' 30' ' ' ASP . 86.1 m-85 -92.66 103.51 15.88 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.891 -0.781 . . . . 1.98 108.891 174.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' ILE . . . . . 0.4 ' HB ' ' HB1' ' B' ' 28' ' ' ALA . 30.0 pt -112.13 143.4 21.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.136 0.493 . . . . 0.85999999999999999 110.7 -172.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . 0.637 ' HA ' ' O ' ' B' ' 85' ' ' THR . 38.2 ptt180 -85.62 133.52 34.04 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.661 -0.699 . . . . 3.7200000000000002 111.369 -175.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' ILE . . . . . 0.493 ' O ' ' HA ' ' B' ' 84' ' ' HIS . 40.9 pt -122.63 152.77 27.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.462 -0.79 . . . . 0.82999999999999996 109.949 175.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . 0.458 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 4.5 m-20 -72.42 100.73 2.75 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 108.782 -0.821 . . . . 1.6899999999999999 108.782 177.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.21 -46.69 5.74 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 120.681 -0.407 . . . . 2.29 111.989 -167.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -133.06 141.44 48.23 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.935 0.397 . . . . 1.1499999999999999 111.333 -174.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . 0.496 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 46.0 t -107.29 98.58 8.19 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.554 -0.906 . . . . 1.5600000000000001 108.554 174.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 32.5 m -98.96 143.75 12.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.976 -0.556 . . . . 1.0800000000000001 111.596 -171.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 35.3 t -86.73 113.23 22.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.798 -0.637 . . . . 1.45 109.479 174.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.457 HG22 ' O ' ' B' ' 79' ' ' TYR . 23.0 m -108.28 145.58 15.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.148 -0.478 . . . . 1.52 109.97 178.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.492 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 67.7 mt -106.7 138.26 43.2 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.331 0.586 . . . . 1.6699999999999999 110.613 178.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 40.1 t -115.15 138.35 51.0 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.299 -0.864 . . . . 2.6200000000000001 108.692 173.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 . . . . . 0 C--N 1.325 -0.486 0 CA-C-O 121.229 0.537 . . . . 6.7199999999999998 110.143 -179.417 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 121.224 0.535 . . . . 3.6499999999999999 110.016 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.4 m -83.18 150.41 26.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.474 -0.785 . . . . 2.4199999999999999 110.765 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.0 m -59.74 -36.99 69.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 121.132 0.491 . . . . 1.4099999999999999 111.016 174.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.444 ' HA ' ' HG3' ' A' ' 63' ' ' PRO . 45.1 t -122.76 151.99 41.06 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.615 -0.513 . . . . 1.75 109.615 176.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -88.41 114.2 24.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.199 0.523 . . . . 2.8700000000000001 110.431 -175.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.415 ' OG ' ' HB3' ' A' ' 108' ' ' CYS . 25.4 m -105.6 154.25 20.67 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.708 -0.678 . . . . 1.72 110.56 -177.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 56' ' ' THR . 4.2 p -120.62 114.32 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.022 0.439 . . . . 1.51 110.602 174.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.1 m -97.41 116.83 30.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.264 -0.426 . . . . 1.6599999999999999 110.454 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.7 t -119.36 138.09 51.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.185 -0.462 . . . . 1.03 110.696 -178.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -102.76 96.32 6.78 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.137 -0.69 . . . . 1.6100000000000001 109.137 173.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.5 t -77.46 123.07 33.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.386 -0.824 . . . . 0.95999999999999996 110.618 -175.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.86 -11.54 54.77 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.568 -0.825 . . . . 1.27 111.73 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -138.82 79.46 1.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.159 0.504 . . . . 3.02 110.461 -178.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -97.95 136.7 37.86 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.89 -0.781 . . . . 1.3200000000000001 108.89 175.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.9 t -111.48 -27.08 8.75 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.662 0.616 . . . . 1.8200000000000001 112.662 -173.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.2 p -137.24 142.6 42.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.04 0.448 . . . . 1.01 111.895 -178.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.438 ' HB1' ' HB ' ' A' ' 102' ' ' ILE . . . -150.84 171.34 17.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.748 -0.66 . . . . 0.79000000000000004 110.109 175.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.3 m -117.87 121.2 40.11 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.602 0.239 . . . . 1.02 110.392 177.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.462 ' OD2' ' HB3' ' A' ' 100' ' ' ARG . 17.5 t70 -74.19 163.67 27.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.944 -0.571 . . . . 1.8500000000000001 110.029 178.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.9 tt -63.93 -21.31 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.34 -0.391 . . . . 1.3300000000000001 111.261 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -75.39 -13.13 60.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.028 0.442 . . . . 2.2200000000000002 110.61 176.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.9 18.37 34.77 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 111.486 -0.646 . . . . 1.25 111.486 -178.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -92.12 134.86 34.46 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.678 0.275 . . . . 2.1400000000000001 110.93 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -84.2 114.32 21.72 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.528 -0.915 . . . . 2.1899999999999999 108.528 172.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.4 m -115.58 149.79 17.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-O 121.196 0.522 . . . . 1.02 111.342 -172.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.46 ' HB ' ' CG2' ' A' ' 92' ' ' THR . 30.4 m -85.83 115.81 23.7 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.209 -0.905 . . . . 1.04 109.239 175.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.558 ' HA ' HG22 ' A' ' 91' ' ' THR . 46.6 t -81.79 139.8 17.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.105 -0.498 . . . . 1.1000000000000001 110.203 -178.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 66.8 mt -96.88 121.78 39.12 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.537 -0.542 . . . . 1.9099999999999999 109.537 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.26 -39.3 92.45 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.317 0.58 . . . . 2.1800000000000002 109.457 177.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -106.45 114.84 29.2 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.154 -0.93 . . . . 3.5899999999999999 108.793 175.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 49' ' ' PHE . 31.0 m -90.59 121.78 41.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.366 0.603 . . . . 2.3999999999999999 110.203 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -92.72 102.6 15.01 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.639 -0.71 . . . . 3.25 110.369 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.7 mt -100.2 62.35 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 108.921 -0.77 . . . . 2.77 108.921 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.448 HD22 ' N ' ' A' ' 45' ' ' ASN . 0.9 OUTLIER 67.27 -79.43 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.035 -0.984 . . . . 3.8399999999999999 111.369 -179.263 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -103.67 -10.46 18.36 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.891 0.33 . . . . 4.7599999999999998 111.891 -175.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.7 t -122.8 115.68 22.43 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.885 0.374 . . . . 3.3300000000000001 110.477 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 23.0 t -115.51 122.04 68.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.008 -0.542 . . . . 2.3700000000000001 109.606 177.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.486 ' O ' HG22 ' A' ' 42' ' ' VAL . 43.9 p90 -163.13 171.35 16.48 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.686 0.279 . . . . 4.1299999999999999 110.306 -177.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -105.88 117.31 33.7 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.218 0.532 . . . . 4.8399999999999999 110.104 175.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -84.06 -8.58 59.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.677 -0.692 . . . . 4.5599999999999996 111.196 -176.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 69.34 150.9 0.09 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.499 -0.773 . . . . 2.46 111.401 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -123.96 119.7 30.34 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.892 -0.595 . . . . 1.1599999999999999 110.04 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.441 ' O ' HD12 ' A' ' 104' ' ' ILE . 29.0 p90 -84.28 116.88 23.21 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.321 0.581 . . . . 3.5600000000000001 110.8 -177.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -123.48 111.76 16.7 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.903 -0.589 . . . . 1.49 109.807 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.461 ' HB ' ' O ' ' A' ' 106' ' ' THR . 44.4 m -99.49 102.25 13.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.179 0.514 . . . . 1.0700000000000001 109.65 175.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -104.48 172.38 6.83 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.491 -0.777 . . . . 2.48 111.299 -171.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 72.7 m -96.68 107.43 19.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.336 -0.847 . . . . 1.73 109.961 175.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -93.7 8.59 40.37 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.557 0.694 . . . . 3.48 109.639 174.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -154.45 117.46 4.45 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.859 -1.064 . . . . 2.5800000000000001 108.977 175.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.3 p -74.31 -26.62 60.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.066 0.46 . . . . 2.7599999999999998 110.07 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -148.62 109.13 3.57 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.29 -0.868 . . . . 2.5899999999999999 109.217 174.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.444 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 25.2 Cg_endo -60.91 -37.23 78.88 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.486 2.124 . . . . 2.5699999999999998 111.732 -178.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.5 m -134.86 157.79 41.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.636 -0.711 . . . . 2.5299999999999998 109.173 177.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -75.95 -8.75 57.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.746 0.308 . . . . 4.1900000000000004 111.407 -175.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.9 m -89.02 -6.01 57.5 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.376 -0.374 . . . . 3.8999999999999999 110.865 176.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.09 -121.89 3.51 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.737 -0.744 . . . . 2.6000000000000001 112.294 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 71.9 m -118.05 56.38 0.86 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.665 -0.315 . . . . 1.73 111.185 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 63.21 89.89 0.08 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.86 -0.609 . . . . 3.9399999999999999 111.849 173.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.89 -27.69 11.63 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.603 -0.808 . . . . 1.6100000000000001 112.428 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.1 mm -58.68 137.85 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.682 0.277 . . . . 1.6499999999999999 110.917 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -83.81 116.96 22.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.995 -0.548 . . . . 3.3199999999999998 110.289 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.1 m -73.05 -6.04 42.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.005 -0.543 . . . . 4.6299999999999999 112.329 -173.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -93.15 -26.6 17.35 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.007 0.432 . . . . 3.0600000000000001 110.647 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -104.91 -34.52 8.01 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.175 -0.466 . . . . 3.5099999999999998 111.379 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.544 ' CE3' ' HB3' ' A' ' 112' ' ' LEU . 99.1 m95 -130.1 138.45 50.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.188 0.518 . . . . 3.1699999999999999 111.609 -175.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.423 ' HB3' ' OG ' ' A' ' 113' ' ' SER . 27.5 t-20 -106.93 134.14 50.53 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 107.943 -1.132 . . . . 2.6899999999999999 107.943 167.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.589 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 9.9 m -114.55 151.3 33.6 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.909 0.385 . . . . 1.9299999999999999 111.385 -172.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.439 ' O ' HG22 ' A' ' 111' ' ' VAL . 79.5 t80 -153.06 134.63 14.44 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.843 -0.617 . . . . 3.73 110.016 175.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.688 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 76.4 m -87.94 126.39 35.03 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.108 0.48 . . . . 1.6699999999999999 110.988 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.412 ' O ' HG22 ' A' ' 109' ' ' VAL . 43.1 m -126.13 132.58 51.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.723 -0.672 . . . . 2.2400000000000002 109.873 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.4 t -79.83 132.84 36.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.2 0.524 . . . . 2.7799999999999998 110.157 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.2 p -86.62 155.87 20.26 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.953 -0.567 . . . . 2.6899999999999999 110.428 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.448 ' HB2' ' HB2' ' A' ' 103' ' ' ARG . 19.0 p80 -124.07 120.13 31.49 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.8 0.333 . . . . 3.71 110.854 -178.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.686 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 10.8 t -112.03 160.24 17.68 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.375 -0.602 . . . . 1.48 109.375 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.446 ' HA ' ' O ' ' A' ' 102' ' ' ILE . 88.4 m-85 -109.25 116.23 31.5 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.002 0.43 . . . . 1.75 110.482 -177.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.9 m -115.22 155.16 16.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.83 -0.623 . . . . 1.0800000000000001 110.824 -178.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.463 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 46.1 mtpt -83.0 107.94 15.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.178 -0.464 . . . . 3.8199999999999998 110.334 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.71 140.25 52.19 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.789 -0.642 . . . . 1.1299999999999999 110.259 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.7 tp -74.1 104.44 4.92 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.058 -0.719 . . . . 1.45 109.058 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.558 HG22 ' HA ' ' A' ' 38' ' ' VAL . 66.5 p -129.32 166.48 19.4 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.927 -0.578 . . . . 1.1399999999999999 109.732 -176.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.46 ' CG2' ' HB ' ' A' ' 37' ' ' THR . 8.8 t -118.3 116.11 26.09 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.311 0.577 . . . . 1.3200000000000001 110.252 177.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -94.42 -24.92 17.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.91 -0.586 . . . . 2.4700000000000002 111.038 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -124.74 -90.6 0.56 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.741 -0.209 . . . . 3.0899999999999999 110.651 176.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -134.63 3.53 3.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.699 0.285 . . . . 3.29 111.618 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -124.97 159.52 31.06 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.064 -0.347 . . . . 2.7400000000000002 110.064 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.48 128.49 44.29 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.271 -0.422 . . . . 1.4399999999999999 110.026 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.13 152.56 41.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.316 -0.402 . . . . 1.3799999999999999 110.46 -178.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -75.49 100.06 4.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.157 -0.474 . . . . 2.3500000000000001 110.274 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.463 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 33.1 mmt180 -99.89 165.86 11.35 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.694 -0.685 . . . . 3.48 110.102 -178.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -104.64 101.78 11.4 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.572 -0.899 . . . . 1.98 108.572 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.446 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 44.7 pt -112.12 144.81 19.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.048 0.451 . . . . 0.85999999999999999 111.348 -170.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.686 ' HA ' ' O ' ' A' ' 85' ' ' THR . 13.9 ptm180 -79.61 123.79 27.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.149 -0.932 . . . . 3.71 111.203 -179.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.441 HD12 ' O ' ' A' ' 54' ' ' PHE . 35.5 pt -125.29 158.05 33.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.481 -0.781 . . . . 0.82999999999999996 110.015 173.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -65.79 118.29 9.43 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.729 -0.668 . . . . 1.6899999999999999 110.031 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.461 ' O ' ' HB ' ' A' ' 56' ' ' THR . 1.7 m -93.07 -57.03 2.76 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.776 -0.647 . . . . 2.29 111.217 -172.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -159.35 155.81 27.45 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.824 -0.625 . . . . 1.1399999999999999 110.054 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.688 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 35.5 t -96.17 108.95 21.47 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.479 -0.563 . . . . 1.5600000000000001 109.479 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 81' ' ' THR . 21.9 m -99.45 150.32 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.963 -0.562 . . . . 1.0700000000000001 110.663 -174.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.589 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 54.0 t -101.06 115.25 30.05 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.584 -0.524 . . . . 1.45 109.584 177.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 79' ' ' TYR . 15.3 m -89.59 149.12 4.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.705 -0.48 . . . . 1.52 109.705 177.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.544 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . 93.9 mt -118.91 139.54 51.47 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.004 0.431 . . . . 1.6699999999999999 110.545 -178.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.423 ' OG ' ' HB3' ' A' ' 77' ' ' ASN . 28.8 p -131.46 150.0 52.32 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.187 -0.46 . . . . 2.6200000000000001 110.023 175.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 116.379 -0.373 . . . . 6.7300000000000004 111.891 -178.358 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 . . . . . 0 N--CA 1.456 -0.155 0 CA-C-O 121.192 0.52 . . . . 3.6499999999999999 110.062 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 4.4 m -82.81 150.45 26.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.531 -0.758 . . . . 2.4199999999999999 110.815 -177.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.8 m -59.72 -37.17 69.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 121.13 0.491 . . . . 1.4099999999999999 110.918 174.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.446 ' HA ' ' HG3' ' B' ' 63' ' ' PRO . 45.7 t -122.58 152.1 40.76 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.529 -0.545 . . . . 1.75 109.529 176.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -88.44 114.21 24.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.143 0.497 . . . . 2.8700000000000001 110.339 -175.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . 0.42 ' OG ' ' HB3' ' B' ' 108' ' ' CYS . 26.0 m -105.35 154.78 19.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.72 -0.673 . . . . 1.72 110.58 -177.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' B' ' 56' ' ' THR . 4.3 p -121.22 114.3 42.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.069 0.461 . . . . 1.51 110.587 174.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 48.3 m -97.09 116.67 29.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.219 -0.446 . . . . 1.6599999999999999 110.371 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 60.9 t -119.34 137.94 51.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.346 -0.388 . . . . 1.03 110.687 -178.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 86.2 m95 -102.52 96.45 6.92 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.144 -0.688 . . . . 1.6100000000000001 109.144 173.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 43.4 t -77.56 123.25 33.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.405 -0.816 . . . . 0.95999999999999996 110.467 -175.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.02 -11.56 54.42 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.539 -0.839 . . . . 1.27 111.697 178.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -138.59 80.0 1.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.111 0.482 . . . . 3.0099999999999998 110.352 -178.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -98.34 136.56 38.33 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.852 -0.796 . . . . 1.3200000000000001 108.852 174.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 14.2 t -111.49 -26.86 8.85 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.671 0.619 . . . . 1.8200000000000001 112.671 -173.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 6.8 p -137.25 142.67 42.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 121.92 -0.488 . . . . 1.0 111.892 -178.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.434 ' HB1' ' HB ' ' B' ' 102' ' ' ILE . . . -150.75 171.28 17.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.903 -0.59 . . . . 0.79000000000000004 110.269 175.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 16.9 m -117.74 121.36 40.62 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.685 0.279 . . . . 1.01 110.445 177.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . 0.483 ' OD2' ' HB3' ' B' ' 100' ' ' ARG . 17.4 t70 -74.2 163.65 27.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.864 -0.607 . . . . 1.8400000000000001 109.885 178.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.0 tt -63.87 -21.43 28.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.063 0.459 . . . . 1.3300000000000001 111.233 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -75.21 -13.4 60.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.427 -0.351 . . . . 2.2200000000000002 110.502 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.19 17.87 35.69 Favored Glycine 0 N--CA 1.45 -0.417 0 N-CA-C 111.546 -0.621 . . . . 1.25 111.546 -178.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -91.68 135.09 34.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.677 0.275 . . . . 2.1400000000000001 110.982 -178.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -84.52 114.28 21.83 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.517 -0.92 . . . . 2.1899999999999999 108.517 172.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 m -115.51 149.91 17.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-O 121.174 0.511 . . . . 1.01 111.362 -172.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . 0.452 ' HB ' ' CG2' ' B' ' 92' ' ' THR . 27.9 m -85.96 115.89 23.85 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 115.222 -0.899 . . . . 1.04 109.297 175.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.582 ' HA ' HG22 ' B' ' 91' ' ' THR . 47.2 t -81.99 140.14 16.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.06 -0.518 . . . . 1.1000000000000001 109.992 -177.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 66.9 mt -97.27 121.88 39.67 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.573 -0.528 . . . . 1.9099999999999999 109.573 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.19 92.26 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.928 -0.578 . . . . 2.1800000000000002 109.544 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -106.37 114.66 28.92 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.224 -0.898 . . . . 3.5899999999999999 108.93 175.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.481 HG22 ' O ' ' B' ' 49' ' ' PHE . 32.0 m -90.58 121.92 41.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.368 0.604 . . . . 2.3900000000000001 110.149 -178.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -92.56 102.41 14.85 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.517 0.675 . . . . 3.25 110.408 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 14.5 mt -100.3 62.24 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 108.976 -0.75 . . . . 2.77 108.976 177.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . 0.444 ' N ' HD22 ' B' ' 45' ' ' ASN . 0.9 OUTLIER 67.27 -79.25 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 114.944 -1.025 . . . . 3.8399999999999999 111.311 -179.43 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -103.48 -10.78 18.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.416 -0.356 . . . . 4.7599999999999998 111.822 -175.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 20.5 t -122.81 115.48 22.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.963 0.411 . . . . 3.3300000000000001 110.425 -176.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.472 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 22.8 t -114.94 122.79 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.932 -0.576 . . . . 2.3799999999999999 109.466 177.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . 0.481 ' O ' HG22 ' B' ' 42' ' ' VAL . 43.7 p90 -163.78 171.21 15.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.722 0.296 . . . . 4.1299999999999999 110.506 -178.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -105.64 116.9 32.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.087 0.47 . . . . 4.8399999999999999 110.246 175.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -83.83 -8.53 59.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.826 -0.624 . . . . 4.5599999999999996 111.19 -176.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 69.2 150.84 0.08 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.443 -0.798 . . . . 2.4500000000000002 111.368 -178.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -124.0 119.57 29.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.875 -0.602 . . . . 1.1599999999999999 110.017 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . 0.457 ' O ' HD12 ' B' ' 104' ' ' ILE . 29.2 p90 -84.17 116.85 23.14 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.226 0.536 . . . . 3.5600000000000001 110.772 -177.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -123.31 111.71 16.74 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.868 -0.605 . . . . 1.49 109.862 177.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.461 ' HB ' ' O ' ' B' ' 106' ' ' THR . 45.7 m -99.49 102.12 13.57 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.485 -0.561 . . . . 1.0700000000000001 109.485 175.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -104.46 172.13 6.96 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.613 -0.721 . . . . 2.48 111.242 -171.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 70.3 m -96.32 107.34 19.69 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.394 -0.821 . . . . 1.73 110.007 175.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -93.57 8.45 40.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.529 0.681 . . . . 3.4900000000000002 109.684 174.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -154.41 117.21 4.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.847 -1.069 . . . . 2.5800000000000001 109.154 175.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 17.5 p -74.26 -26.29 60.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.164 0.507 . . . . 2.7599999999999998 110.208 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -148.58 109.52 3.59 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.233 -0.894 . . . . 2.5899999999999999 109.046 174.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' PRO . . . . . 0.446 ' HG3' ' HA ' ' B' ' 15' ' ' CYS . 25.4 Cg_endo -61.4 -36.66 77.05 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.523 2.149 . . . . 2.5699999999999998 111.789 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 31.5 m -135.24 158.2 40.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.662 -0.699 . . . . 2.5299999999999998 109.226 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -76.32 -8.87 58.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.675 0.274 . . . . 4.2000000000000002 111.295 -175.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 9.2 m -89.12 -6.09 57.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.274 -0.421 . . . . 3.8999999999999999 110.855 176.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.35 -121.78 3.43 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.731 . . . . 2.6000000000000001 112.323 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 71.9 m -118.26 55.9 0.88 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.596 0.236 . . . . 1.74 111.236 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 63.75 89.64 0.09 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.76 -0.654 . . . . 3.9500000000000002 111.849 173.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.85 -27.07 12.56 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.618 -0.801 . . . . 1.6000000000000001 112.405 177.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 49.0 mm -59.31 137.63 21.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.728 0.299 . . . . 1.6499999999999999 111.053 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -83.52 117.0 22.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.142 -0.481 . . . . 3.3199999999999998 110.351 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 4.8 m -73.07 -6.21 44.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.912 -0.585 . . . . 4.6299999999999999 112.239 -173.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -93.38 -26.27 17.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.097 0.475 . . . . 3.0600000000000001 110.789 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -105.23 -34.14 8.0 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.113 -0.494 . . . . 3.5099999999999998 111.417 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' TRP . . . . . 0.558 ' CE3' ' HB3' ' B' ' 112' ' ' LEU . 99.1 m95 -130.28 138.37 50.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.32 0.581 . . . . 3.1699999999999999 111.57 -175.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' ASN . . . . . 0.425 ' HB3' ' OG ' ' B' ' 113' ' ' SER . 27.5 t-20 -107.04 134.22 50.51 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.918 -1.141 . . . . 2.7000000000000002 107.918 168.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.592 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 9.0 m -114.79 151.28 34.07 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.914 0.388 . . . . 1.9299999999999999 111.515 -172.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . 0.432 ' O ' HG22 ' B' ' 111' ' ' VAL . 79.6 t80 -153.17 134.6 14.32 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.788 -0.642 . . . . 3.73 109.971 176.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.691 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 76.3 m -88.02 126.25 34.98 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.22 0.533 . . . . 1.6699999999999999 111.028 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.418 ' O ' HG22 ' B' ' 109' ' ' VAL . 36.5 m -125.93 132.44 52.1 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.707 -0.679 . . . . 2.25 109.95 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.2 t -80.02 132.56 36.02 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.005 0.431 . . . . 2.7799999999999998 110.273 178.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 6.4 p -86.52 155.44 20.5 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.037 -0.528 . . . . 2.6899999999999999 110.517 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' HIS . . . . . 0.47 ' HB2' ' HB2' ' B' ' 103' ' ' ARG . 19.1 p80 -123.35 120.63 33.61 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.8 0.333 . . . . 3.71 110.916 -178.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.691 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 10.3 t -112.37 160.13 18.01 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.381 -0.6 . . . . 1.48 109.381 178.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.452 ' HA ' ' O ' ' B' ' 102' ' ' ILE . 87.2 m-85 -109.06 116.25 31.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.926 0.393 . . . . 1.75 110.431 -176.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 29.8 m -115.25 155.19 16.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.937 -0.574 . . . . 1.0800000000000001 110.756 -178.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . 0.454 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 46.1 mtpt -82.93 107.79 15.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 3.8199999999999998 110.333 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.74 140.11 52.27 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.788 -0.642 . . . . 1.1299999999999999 110.221 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 18.8 tp -73.9 104.5 4.79 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 109.039 -0.726 . . . . 1.45 109.039 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' THR . . . . . 0.582 HG22 ' HA ' ' B' ' 38' ' ' VAL . 65.3 p -129.5 166.24 20.04 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.982 -0.554 . . . . 1.1499999999999999 109.625 -176.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . 0.452 ' CG2' ' HB ' ' B' ' 37' ' ' THR . 8.8 t -118.17 116.03 25.99 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.398 0.618 . . . . 1.3200000000000001 110.137 178.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -94.25 -25.22 17.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.841 -0.618 . . . . 2.46 110.926 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -124.73 -91.03 0.55 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.739 -0.21 . . . . 3.0899999999999999 110.501 176.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -134.29 3.48 3.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.756 0.312 . . . . 3.2999999999999998 111.563 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -124.97 159.47 31.17 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.085 -0.339 . . . . 2.7400000000000002 110.085 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.2 128.25 43.92 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.236 -0.438 . . . . 1.4399999999999999 110.178 178.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.75 152.57 42.45 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.327 -0.397 . . . . 1.3899999999999999 110.648 -178.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -75.37 100.46 4.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.125 0.488 . . . . 2.3500000000000001 110.136 178.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' ARG . . . . . 0.483 ' HB3' ' OD2' ' B' ' 30' ' ' ASP . 33.2 mmt180 -100.26 165.42 11.49 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.587 -0.733 . . . . 3.48 110.137 -179.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -104.2 101.79 11.52 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.662 -0.866 . . . . 1.98 108.662 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' B' ' 86' ' ' PHE . 44.9 pt -112.15 144.9 19.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.117 0.484 . . . . 0.85999999999999999 111.334 -170.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . 0.691 ' HA ' ' O ' ' B' ' 85' ' ' THR . 13.9 ptm180 -79.56 123.79 27.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.143 -0.935 . . . . 3.7200000000000002 111.227 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' ILE . . . . . 0.457 HD12 ' O ' ' B' ' 54' ' ' PHE . 35.7 pt -125.34 157.97 33.99 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 CA-C-N 115.502 -0.772 . . . . 0.82999999999999996 110.011 173.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -65.53 118.35 9.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.73 -0.668 . . . . 1.6899999999999999 110.075 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' THR . . . . . 0.461 ' O ' ' HB ' ' B' ' 56' ' ' THR . 1.7 m -93.32 -56.81 2.81 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.834 -0.621 . . . . 2.29 111.238 -172.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -159.63 155.7 26.63 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.829 -0.623 . . . . 1.1499999999999999 109.974 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . 0.691 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 35.7 t -96.14 108.89 21.4 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.351 -0.611 . . . . 1.5600000000000001 109.351 178.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.418 HG22 ' O ' ' B' ' 81' ' ' THR . 21.9 m -99.39 150.15 5.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.984 -0.553 . . . . 1.0800000000000001 110.77 -174.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.592 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 54.0 t -100.95 115.24 29.98 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.567 -0.531 . . . . 1.45 109.567 177.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.432 HG22 ' O ' ' B' ' 79' ' ' TYR . 15.6 m -89.75 149.31 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 N-CA-C 109.642 -0.503 . . . . 1.52 109.642 177.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.558 ' HB3' ' CE3' ' B' ' 76' ' ' TRP . 94.2 mt -118.88 139.65 51.28 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.984 0.421 . . . . 1.6699999999999999 110.604 -178.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.425 ' OG ' ' HB3' ' B' ' 77' ' ' ASN . 29.7 p -131.45 150.27 52.21 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.241 -0.436 . . . . 2.6200000000000001 110.082 175.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 116.402 -0.363 . . . . 6.7199999999999998 111.658 -178.24 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 . . . . . 0 N--CA 1.463 0.18 0 CA-C-O 121.156 0.503 . . . . 3.6499999999999999 111.489 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.5 m -123.75 137.54 54.67 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.715 -0.675 . . . . 2.4199999999999999 110.159 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.5 m -63.79 -23.33 33.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 121.165 0.507 . . . . 1.4099999999999999 110.6 176.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.7 t -132.47 133.61 44.05 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.584 -0.895 . . . . 1.75 108.584 173.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -67.26 130.31 42.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.301 0.572 . . . . 2.8700000000000001 110.996 -175.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.43 ' HB2' HG22 ' A' ' 56' ' ' THR . 32.8 p -123.91 148.15 47.09 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.689 -0.687 . . . . 1.72 110.34 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.47 115.35 49.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.244 0.545 . . . . 1.51 110.21 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.6 p -94.72 113.82 25.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.673 -0.694 . . . . 1.6599999999999999 110.179 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.5 t -121.61 138.19 52.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.039 -0.528 . . . . 1.03 110.666 -176.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 86.9 m95 -90.82 95.57 10.2 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.42 -0.955 . . . . 1.6100000000000001 108.42 169.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.1 t -69.57 117.84 12.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.634 -0.712 . . . . 0.95999999999999996 109.765 -176.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.493 ' HA2' ' CD1' ' A' ' 52' ' ' TYR . . . -73.87 -35.04 55.11 Favored Glycine 0 N--CA 1.44 -1.042 0 CA-C-N 115.561 -0.745 . . . . 1.27 112.659 -175.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -138.23 71.68 1.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.805 0.302 . . . . 3.02 111.397 -175.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.8 tttp -71.83 131.57 43.23 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.031 -0.729 . . . . 1.3200000000000001 109.031 173.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 37' ' ' THR . 11.5 t -102.54 -33.21 9.57 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.847 0.684 . . . . 1.8200000000000001 112.847 -171.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.7 p -141.63 144.0 33.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.031 -0.418 . . . . 1.01 111.742 -176.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.47 159.47 38.67 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.837 -0.62 . . . . 0.79000000000000004 110.512 175.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.7 m -96.03 120.64 36.68 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.406 -0.361 . . . . 1.02 110.649 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -67.81 160.64 27.87 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.914 -0.585 . . . . 1.8500000000000001 109.788 174.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.5 tt -54.9 -30.84 23.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.765 0.317 . . . . 1.3300000000000001 111.515 -177.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -80.06 2.56 23.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.528 -0.306 . . . . 2.2200000000000002 111.539 -177.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.37 28.49 27.39 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.936 -0.649 . . . . 1.25 112.011 178.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -101.92 113.06 25.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.483 0.182 . . . . 2.1400000000000001 110.686 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -76.55 113.91 14.69 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.308 -0.997 . . . . 2.1899999999999999 108.308 173.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.0 m -130.44 159.41 42.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-O 121.185 0.517 . . . . 1.02 111.811 -171.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.408 ' HB ' ' CG2' ' A' ' 92' ' ' THR . 26.0 m -81.81 115.46 21.03 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.017 -0.992 . . . . 1.04 110.01 178.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.4 t -85.27 140.36 16.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.645 -0.707 . . . . 1.1000000000000001 110.367 -177.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.7 mt -105.59 123.53 48.06 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.484 -0.561 . . . . 1.9099999999999999 109.484 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.33 -20.05 57.63 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.985 -0.552 . . . . 2.1800000000000002 110.453 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -105.42 115.54 30.43 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.451 -0.944 . . . . 3.5899999999999999 108.451 178.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.474 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 20.9 m -97.86 129.62 47.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 C-N-CA 120.459 -0.497 . . . . 2.3999999999999999 110.751 -176.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.418 ' H ' HD22 ' A' ' 90' ' ' LEU . 9.1 p30 -104.12 115.7 30.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.533 0.682 . . . . 3.25 110.319 177.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 70.3 mt -109.11 95.09 3.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.529 -0.76 . . . . 2.77 109.042 174.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.9 m120 67.76 -83.2 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.312 -0.858 . . . . 3.8399999999999999 110.326 -176.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -136.28 24.89 3.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.051 0.453 . . . . 4.7599999999999998 110.614 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.5 t -123.12 114.37 20.24 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.512 -0.551 . . . . 3.3300000000000001 109.512 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.474 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 41.8 t -112.93 122.68 67.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.094 -0.503 . . . . 2.3700000000000001 110.424 -179.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.451 ' O ' HG22 ' A' ' 42' ' ' VAL . 42.1 p90 -149.89 152.09 34.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.415 -0.357 . . . . 4.1299999999999999 110.675 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.16 146.99 35.89 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.539 -0.541 . . . . 4.8399999999999999 109.539 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.05 1.26 2.45 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.939 -0.304 . . . . 4.5599999999999996 111.435 -178.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.493 ' CD1' ' HA2' ' A' ' 23' ' ' GLY . 7.1 m-85 68.27 176.21 0.26 Allowed 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.856 0.723 . . . . 2.46 111.122 178.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -127.16 125.07 40.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 1.1599999999999999 110.602 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -84.39 108.53 17.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.772 0.32 . . . . 3.5600000000000001 110.621 -177.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -123.5 136.73 54.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.161 -0.472 . . . . 1.49 110.407 178.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.43 HG22 ' HB2' ' A' ' 17' ' ' SER . 32.5 m -117.03 110.02 17.71 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.052 -0.522 . . . . 1.0700000000000001 109.606 178.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -104.03 146.38 28.79 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.234 -0.439 . . . . 2.48 110.63 -173.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.543 ' SG ' HG23 ' A' ' 82' ' ' THR . 73.1 m -72.23 122.33 20.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.299 -0.41 . . . . 1.73 110.332 176.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -79.15 86.04 4.99 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.439 -0.578 . . . . 3.48 109.439 176.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 72.89 139.96 0.06 Allowed 'General case' 0 N--CA 1.465 0.296 0 O-C-N 124.082 0.864 . . . . 2.5800000000000001 110.195 -171.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 41.4 m -76.21 -4.32 41.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.068 -0.515 . . . . 2.7599999999999998 112.04 -174.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -149.26 104.9 3.33 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.435 -0.348 . . . . 2.5899999999999999 110.112 177.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.78 -34.48 61.45 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.278 1.985 . . . . 2.5699999999999998 111.558 175.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.8 m -121.4 154.65 25.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.863 -0.608 . . . . 2.5299999999999998 109.574 176.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -79.1 65.05 4.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.313 0.578 . . . . 4.1900000000000004 110.779 -175.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 76.0 p -177.87 -28.15 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.979 -1.009 . . . . 3.8999999999999999 109.412 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.448 ' CA ' ' HB2' ' A' ' 78' ' ' SER . . . 162.13 -114.34 0.6 Allowed Glycine 0 N--CA 1.442 -0.966 0 CA-C-N 115.418 -0.81 . . . . 2.6000000000000001 112.055 179.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 73.8 m -116.66 166.34 12.23 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.108 -0.33 . . . . 1.73 110.108 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.442 HH11 ' HD3' ' A' ' 69' ' ' ARG . 33.2 mtm180 -72.67 131.88 42.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.491 -0.322 . . . . 3.9399999999999999 110.523 -178.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.52 -34.57 4.65 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.773 -0.727 . . . . 1.6100000000000001 112.494 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.2 mm -63.94 132.57 29.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.907 0.384 . . . . 1.6499999999999999 111.578 -177.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -67.77 105.93 2.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.711 -0.677 . . . . 3.3199999999999998 109.432 173.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.493 ' HA ' ' O ' ' A' ' 76' ' ' TRP . 19.9 m -79.16 1.2 25.3 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.042 -0.526 . . . . 4.6299999999999999 111.645 -173.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -90.13 -41.23 11.76 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.542 -0.54 . . . . 3.0600000000000001 109.542 177.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -86.45 -31.28 21.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.471 -0.786 . . . . 3.5099999999999998 111.245 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.493 ' O ' ' HA ' ' A' ' 73' ' ' SER . 84.6 m95 -137.28 130.77 31.33 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.847 0.314 . . . . 3.1699999999999999 111.847 -175.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.573 ' HB3' ' O ' ' A' ' 113' ' ' SER . 28.0 t-20 -92.53 135.34 34.14 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 107.368 -1.345 . . . . 2.6899999999999999 107.368 167.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.805 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 0.9 OUTLIER -111.37 151.14 28.8 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.112 0.482 . . . . 1.9299999999999999 111.728 -170.473 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -147.25 133.79 19.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.375 -0.829 . . . . 3.73 109.064 177.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.468 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 34.6 m -81.33 123.43 28.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.841 0.353 . . . . 1.6699999999999999 110.422 -178.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.8 m -128.13 129.13 46.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.168 -0.469 . . . . 2.2400000000000002 109.926 -177.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.543 HG23 ' SG ' ' A' ' 58' ' ' CYS . 1.2 p -80.41 134.12 35.97 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.016 0.436 . . . . 2.7799999999999998 111.442 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.9 p -76.79 137.46 39.27 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 121.324 0.583 . . . . 2.6899999999999999 110.69 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -103.45 119.93 39.85 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.152 -0.931 . . . . 3.71 111.07 -173.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.549 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 13.2 t -125.99 161.9 26.49 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.555 -0.535 . . . . 1.48 109.555 176.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -110.33 119.63 39.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.838 0.352 . . . . 1.75 110.458 -177.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.6 m -113.85 153.51 15.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.061 -0.518 . . . . 1.0800000000000001 111.303 -178.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.445 ' HG2' ' CE2' ' A' ' 101' ' ' PHE . 89.0 mttt -80.01 105.96 11.68 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.244 -0.889 . . . . 3.8199999999999998 110.166 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.82 144.37 51.09 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.183 -0.462 . . . . 1.1299999999999999 110.541 -178.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.418 HD22 ' H ' ' A' ' 43' ' ' ASN . 29.1 tp -80.83 133.06 35.54 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.232 -0.655 . . . . 1.45 109.232 178.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 67.4 p -129.29 160.63 32.39 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.882 -0.414 . . . . 1.1399999999999999 109.882 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.408 ' CG2' ' HB ' ' A' ' 37' ' ' THR . 4.7 t -99.77 110.22 22.61 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.465 0.65 . . . . 1.3200000000000001 109.429 175.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -69.15 -33.94 74.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.395 -0.82 . . . . 2.4700000000000002 109.895 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -175.82 -73.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.257 -0.883 . . . . 3.0899999999999999 108.768 176.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.433 ' HB2' ' NE2' ' A' ' 96' ' ' GLN . 52.6 mttp -108.82 -24.66 11.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.848 -0.615 . . . . 3.29 109.694 174.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.433 ' NE2' ' HB2' ' A' ' 95' ' ' LYS . 22.2 mp0 -103.03 152.0 21.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.563 -0.744 . . . . 2.7400000000000002 110.431 -176.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -98.83 125.47 44.22 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.065 -0.516 . . . . 1.4399999999999999 110.123 176.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -129.08 141.92 51.06 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.31 -0.405 . . . . 1.3799999999999999 110.664 -177.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -77.65 126.38 30.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.071 -0.513 . . . . 2.3500000000000001 110.542 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -122.73 172.19 8.61 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.278 -0.419 . . . . 3.48 110.105 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.445 ' CE2' ' HG2' ' A' ' 88' ' ' LYS . 89.8 m-85 -113.36 106.6 14.78 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.348 -0.982 . . . . 1.98 108.348 176.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 39.6 pt -111.94 143.94 20.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.235 0.54 . . . . 0.85999999999999999 111.351 -170.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.549 ' HA ' ' O ' ' A' ' 85' ' ' THR . 38.0 ptt180 -77.47 123.9 27.18 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.079 -0.964 . . . . 3.71 110.48 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 45.5 pt -123.27 151.91 27.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.989 -0.551 . . . . 0.82999999999999996 110.319 174.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.425 ' HB3' ' HB ' ' A' ' 82' ' ' THR . 13.4 m-20 -79.14 100.6 7.5 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.362 -0.977 . . . . 1.6899999999999999 108.362 175.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.474 HG21 ' OG1' ' B' ' 106' ' ' THR . 8.9 t -94.29 -18.67 21.41 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 112.394 0.516 . . . . 2.29 112.394 -169.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -160.96 171.73 18.18 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.855 -0.424 . . . . 1.1399999999999999 109.855 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 51.8 t -125.39 119.92 29.64 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.881 0.372 . . . . 1.5600000000000001 110.203 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.0 m -112.39 175.67 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.003 -0.544 . . . . 1.0700000000000001 109.693 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.805 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 42.3 t -124.76 117.72 24.81 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 110.012 -0.366 . . . . 1.45 110.012 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 78' ' ' SER . 23.4 m -85.62 148.27 4.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.614 -0.513 . . . . 1.52 109.614 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.1 mt -119.4 136.7 54.17 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.819 -0.352 . . . . 1.6699999999999999 110.782 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.573 ' O ' ' HB3' ' A' ' 77' ' ' ASN . 27.4 p -178.64 99.06 0.03 OUTLIER 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.01 -0.541 . . . . 2.6200000000000001 110.839 176.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.41 ' N ' ' H ' ' A' ' 77' ' ' ASN . 26.6 tpt180 . . . . . 0 C--N 1.322 -0.59 0 CA-C-O 121.929 0.871 . . . . 6.7300000000000004 108.864 167.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 . . . . . 0 CA--C 1.519 -0.229 0 CA-C-O 121.201 0.524 . . . . 3.6499999999999999 111.651 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 10.6 m -123.65 137.41 54.73 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.706 -0.679 . . . . 2.4199999999999999 110.144 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.0 m -63.74 -23.2 32.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 121.299 0.571 . . . . 1.4099999999999999 110.612 176.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 43.5 t -132.62 133.75 44.02 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.54 -0.911 . . . . 1.75 108.54 173.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -67.48 130.69 43.83 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.201 0.524 . . . . 2.8700000000000001 111.03 -175.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . 0.439 ' HB2' HG22 ' B' ' 56' ' ' THR . 31.8 p -123.97 148.45 46.93 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.675 -0.693 . . . . 1.72 110.229 -178.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.75 115.23 48.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.228 0.537 . . . . 1.51 110.128 177.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 17.2 p -94.59 114.1 26.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.753 -0.658 . . . . 1.6599999999999999 110.115 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 60.0 t -122.03 138.18 53.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.113 -0.494 . . . . 1.03 110.61 -176.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -91.09 95.49 10.11 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.364 -0.976 . . . . 1.6100000000000001 108.364 169.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 51.2 t -69.54 118.11 13.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.607 -0.724 . . . . 0.95999999999999996 109.651 -176.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.491 ' HA2' ' CD1' ' B' ' 52' ' ' TYR . . . -74.04 -35.05 54.5 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-N 115.499 -0.773 . . . . 1.27 112.621 -176.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -138.4 71.74 1.4 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.862 0.331 . . . . 3.0099999999999998 111.382 -175.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -71.95 131.69 43.3 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.072 -0.714 . . . . 1.3200000000000001 109.072 173.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 10.3 t -102.41 -33.15 9.65 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.781 0.66 . . . . 1.8200000000000001 112.781 -170.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 7.8 p -141.66 144.23 34.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.952 0.406 . . . . 1.0 111.806 -176.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.43 159.46 38.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.921 -0.581 . . . . 0.79000000000000004 110.459 175.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 8.1 m -95.89 120.56 36.38 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.306 -0.406 . . . . 1.01 110.701 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -68.09 160.66 28.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.856 -0.611 . . . . 1.8400000000000001 109.872 174.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 13.4 tt -54.7 -31.0 23.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-O 120.806 0.336 . . . . 1.3300000000000001 111.681 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -79.98 2.74 22.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.44 -0.346 . . . . 2.2200000000000002 111.421 -177.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.0 28.55 28.22 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.795 -0.717 . . . . 1.25 112.036 178.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -101.85 113.16 26.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.498 0.189 . . . . 2.1400000000000001 110.745 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -76.46 114.05 14.74 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.291 -1.003 . . . . 2.1899999999999999 108.291 173.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 13.9 m -130.73 159.46 42.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.144 0.497 . . . . 1.01 111.891 -171.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . 0.428 ' HB ' ' CG2' ' B' ' 92' ' ' THR . 23.7 m -81.52 115.62 20.91 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.94 -1.027 . . . . 1.04 110.024 178.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 58.6 t -85.33 140.44 15.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.743 -0.662 . . . . 1.1000000000000001 110.219 -177.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 65.4 mt -105.68 123.32 47.74 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.529 -0.545 . . . . 1.9099999999999999 109.529 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.83 -20.03 58.46 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.368 0.604 . . . . 2.1800000000000002 110.653 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -105.42 115.58 30.5 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.419 -0.956 . . . . 3.5899999999999999 108.419 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.486 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 21.1 m -97.97 129.74 47.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 C-N-CA 120.324 -0.55 . . . . 2.3900000000000001 110.733 -176.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.427 ' H ' HD22 ' B' ' 90' ' ' LEU . 9.1 p30 -104.22 115.6 30.68 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.478 0.656 . . . . 3.25 110.233 177.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 70.6 mt -108.9 95.15 3.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 108.919 -0.771 . . . . 2.77 108.919 174.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 14.8 m120 67.63 -83.07 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.356 -0.838 . . . . 3.8399999999999999 110.409 -176.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -136.71 25.61 3.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.946 0.403 . . . . 4.7599999999999998 110.528 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 43.5 t -123.61 114.15 19.63 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.452 -0.574 . . . . 3.3300000000000001 109.452 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 42.2 t -112.64 123.17 68.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.054 -0.521 . . . . 2.3799999999999999 110.214 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . 0.441 ' O ' HG22 ' B' ' 42' ' ' VAL . 41.5 p90 -150.19 152.44 34.64 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.294 -0.412 . . . . 4.1299999999999999 110.523 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.7 146.92 36.67 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.408 -0.59 . . . . 4.8399999999999999 109.408 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.08 1.6 2.48 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.931 -0.308 . . . . 4.5599999999999996 111.434 -178.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' TYR . . . . . 0.491 ' CD1' ' HA2' ' B' ' 23' ' ' GLY . 7.0 m-85 68.15 176.44 0.26 Allowed 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.736 0.648 . . . . 2.4500000000000002 111.177 178.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -127.46 124.95 39.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.229 -0.441 . . . . 1.1599999999999999 110.562 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -84.23 108.37 17.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.682 0.277 . . . . 3.5600000000000001 110.595 -177.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -123.48 136.72 54.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.365 -0.379 . . . . 1.49 110.443 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.439 HG22 ' HB2' ' B' ' 17' ' ' SER . 32.0 m -116.93 110.26 18.09 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.091 -0.504 . . . . 1.0700000000000001 109.723 178.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -104.25 146.26 29.04 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.227 -0.442 . . . . 2.48 110.571 -173.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' CYS . . . . . 0.551 ' SG ' HG23 ' B' ' 82' ' ' THR . 73.0 m -72.37 121.95 20.38 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.191 -0.459 . . . . 1.73 110.329 177.028 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -78.71 85.98 4.7 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.481 -0.563 . . . . 3.4900000000000002 109.481 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . 72.91 139.94 0.06 Allowed 'General case' 0 N--CA 1.464 0.256 0 O-C-N 124.206 0.941 . . . . 2.5800000000000001 110.315 -171.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 45.9 m -76.23 -4.46 42.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.127 -0.488 . . . . 2.7599999999999998 112.098 -174.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -148.85 105.37 3.42 Favored Pre-proline 0 C--O 1.234 0.248 0 CA-C-N 116.378 -0.373 . . . . 2.5899999999999999 110.084 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -64.01 -34.6 58.32 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.225 1.95 . . . . 2.5699999999999998 111.491 175.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 28.3 m -121.39 154.75 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.907 -0.588 . . . . 2.5299999999999998 109.567 176.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -78.93 64.57 3.91 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.357 0.599 . . . . 4.2000000000000002 110.827 -176.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 73.4 p -177.6 -28.05 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.168 -0.924 . . . . 3.8999999999999999 109.404 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.452 ' CA ' ' HB2' ' B' ' 78' ' ' SER . . . 161.95 -114.44 0.61 Allowed Glycine 0 N--CA 1.44 -1.073 0 CA-C-N 115.519 -0.764 . . . . 2.6000000000000001 112.03 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 73.8 m -116.9 166.08 12.58 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.15 -0.315 . . . . 1.74 110.15 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 33.3 mtm180 -72.63 131.96 43.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.618 -0.265 . . . . 3.9500000000000002 110.421 -178.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.65 -34.02 4.99 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.855 -0.688 . . . . 1.6000000000000001 112.296 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 49.2 mm -64.55 132.39 30.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.902 0.382 . . . . 1.6499999999999999 111.653 -177.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -67.53 105.86 1.97 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.671 -0.695 . . . . 3.3199999999999998 109.372 173.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.479 ' HA ' ' O ' ' B' ' 76' ' ' TRP . 20.1 m -79.33 1.58 24.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.06 -0.518 . . . . 4.6299999999999999 111.772 -173.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -90.48 -41.18 11.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.349 0.595 . . . . 3.0600000000000001 109.49 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 30.9 m-70 -86.35 -31.53 21.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.378 -0.828 . . . . 3.5099999999999998 111.12 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' TRP . . . . . 0.479 ' O ' ' HA ' ' B' ' 73' ' ' SER . 84.6 m95 -137.1 130.79 31.75 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.87 0.322 . . . . 3.1699999999999999 111.87 -174.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' ASN . . . . . 0.575 ' HB3' ' O ' ' B' ' 113' ' ' SER . 28.1 t-20 -92.54 135.22 34.26 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.416 -1.327 . . . . 2.7000000000000002 107.416 167.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.8 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 0.9 OUTLIER -111.39 151.1 28.87 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.167 0.508 . . . . 1.9299999999999999 111.767 -170.473 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -147.3 133.9 19.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.383 -0.826 . . . . 3.73 109.221 177.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.465 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 34.7 m -81.32 123.26 28.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.833 0.349 . . . . 1.6699999999999999 110.388 -178.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 26.3 m -127.91 129.36 46.72 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.206 -0.452 . . . . 2.25 110.014 -177.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.551 HG23 ' SG ' ' B' ' 58' ' ' CYS . 1.2 p -80.37 133.91 35.97 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.967 0.413 . . . . 2.7799999999999998 111.466 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 7.1 p -76.65 137.73 39.61 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 121.215 0.531 . . . . 2.6899999999999999 110.842 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -103.57 120.3 40.6 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.209 -0.905 . . . . 3.71 110.937 -172.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.563 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 13.5 t -126.28 161.91 26.69 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.568 -0.531 . . . . 1.48 109.568 176.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -110.42 119.58 39.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.816 0.341 . . . . 1.75 110.484 -177.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 18.7 m -113.75 153.57 15.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.116 -0.493 . . . . 1.0800000000000001 111.351 -178.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . 0.454 ' HG2' ' CE2' ' B' ' 101' ' ' PHE . 89.1 mttt -80.03 105.81 11.58 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.29 -0.868 . . . . 3.8199999999999998 110.179 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.77 144.38 51.09 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.141 -0.481 . . . . 1.1299999999999999 110.523 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . 0.427 HD22 ' H ' ' B' ' 43' ' ' ASN . 29.3 tp -80.95 133.1 35.46 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.164 -0.68 . . . . 1.45 109.164 178.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 66.8 p -129.31 160.44 33.01 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.936 -0.394 . . . . 1.1499999999999999 109.936 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . 0.428 ' CG2' ' HB ' ' B' ' 37' ' ' THR . 4.9 t -99.52 110.47 22.93 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.435 0.636 . . . . 1.3200000000000001 109.393 175.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -69.16 -34.32 74.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.438 -0.801 . . . . 2.46 109.817 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -175.81 -72.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.235 -0.893 . . . . 3.0899999999999999 109.062 176.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' LYS . . . . . 0.432 ' HB2' ' NE2' ' B' ' 96' ' ' GLN . 52.8 mttp -109.58 -23.33 11.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.856 -0.611 . . . . 3.2999999999999998 109.848 174.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' GLN . . . . . 0.432 ' NE2' ' HB2' ' B' ' 95' ' ' LYS . 22.2 mp0 -104.07 152.01 22.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.644 -0.707 . . . . 2.7400000000000002 110.495 -176.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -98.98 125.27 44.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.056 -0.52 . . . . 1.4399999999999999 110.092 176.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -128.83 142.0 51.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.167 -0.47 . . . . 1.3899999999999999 110.528 -177.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -77.56 126.72 31.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.217 -0.447 . . . . 2.3500000000000001 110.496 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -123.13 172.13 8.8 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.04 -0.527 . . . . 3.48 110.256 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.454 ' CE2' ' HG2' ' B' ' 88' ' ' LYS . 89.9 m-85 -113.38 106.48 14.63 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.407 -0.96 . . . . 1.98 108.407 177.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 39.7 pt -111.89 143.95 20.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.221 0.534 . . . . 0.85999999999999999 111.306 -169.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . 0.563 ' HA ' ' O ' ' B' ' 85' ' ' THR . 37.9 ptt180 -77.48 124.04 27.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.074 -0.966 . . . . 3.7200000000000002 110.34 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 45.3 pt -123.28 151.9 27.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-N 116.026 -0.534 . . . . 0.82999999999999996 110.27 174.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . 0.411 ' HB3' ' HB ' ' B' ' 82' ' ' THR . 15.1 m-20 -78.94 100.59 7.32 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.401 -0.962 . . . . 1.6899999999999999 108.401 175.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' THR . . . . . 0.474 ' OG1' HG21 ' A' ' 106' ' ' THR . 9.0 t -94.17 -18.83 21.33 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 112.349 0.5 . . . . 2.29 112.349 -169.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . 0.416 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -160.81 172.05 17.71 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.912 -0.403 . . . . 1.1499999999999999 109.912 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . 0.465 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 51.1 t -125.44 119.94 29.63 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.872 0.368 . . . . 1.5600000000000001 110.205 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 20.9 m -112.45 175.83 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.048 -0.524 . . . . 1.0800000000000001 109.747 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.8 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 42.4 t -124.85 117.72 24.76 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 110.028 -0.36 . . . . 1.45 110.028 -179.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' B' ' 78' ' ' SER . 23.7 m -85.64 148.26 4.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.56 -0.533 . . . . 1.52 109.56 178.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.405 ' HB3' ' HB3' ' B' ' 76' ' ' TRP . 65.0 mt -119.38 136.77 54.13 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.851 -0.34 . . . . 1.6699999999999999 110.836 -177.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.575 ' O ' ' HB3' ' B' ' 77' ' ' ASN . 32.5 p -178.76 99.01 0.03 OUTLIER 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 116.109 -0.496 . . . . 2.6200000000000001 110.804 176.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' ARG . . . . . 0.403 ' N ' ' H ' ' B' ' 77' ' ' ASN . 26.4 tpt180 . . . . . 0 C--N 1.323 -0.581 0 CA-C-O 121.927 0.87 . . . . 6.7199999999999998 108.746 167.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.761 -0.459 . . . . 3.6499999999999999 109.761 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.1 p -60.18 132.89 55.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.984 -0.553 . . . . 2.4199999999999999 110.555 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.5 m -57.03 -25.04 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 115.664 -0.698 . . . . 1.4099999999999999 111.52 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.451 ' HA ' ' HG3' ' A' ' 63' ' ' PRO . 46.7 t -131.72 137.95 48.45 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.448 -0.575 . . . . 1.75 109.448 175.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -70.57 116.05 10.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.194 0.521 . . . . 2.8700000000000001 110.229 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.0 m -121.15 135.33 55.18 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.964 -0.562 . . . . 1.72 110.785 -176.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 56' ' ' THR . 7.4 p -109.39 117.1 53.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.946 0.403 . . . . 1.51 110.366 178.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.463 ' HB2' ' CE2' ' A' ' 54' ' ' PHE . 29.1 p -100.06 121.57 41.6 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.254 -0.43 . . . . 1.6599999999999999 110.396 -179.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.6 t -119.86 138.01 51.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.42 -0.355 . . . . 1.03 110.929 -177.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -97.5 95.84 7.92 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.635 -0.876 . . . . 1.6100000000000001 108.635 171.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.471 HG12 ' H ' ' A' ' 24' ' ' ASP . 49.0 t -82.84 115.86 26.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.823 -0.626 . . . . 0.95999999999999996 110.949 -174.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -97.66 14.41 63.11 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.703 -0.761 . . . . 1.27 111.934 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.471 ' H ' HG12 ' A' ' 22' ' ' VAL . 36.6 t70 -159.19 76.7 0.71 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.166 0.508 . . . . 3.02 110.472 179.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.675 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 59.1 tttp -99.84 110.61 22.97 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.593 -0.892 . . . . 1.3200000000000001 108.593 173.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.435 ' O ' ' HA ' ' A' ' 37' ' ' THR . 14.7 t -82.47 -29.95 30.27 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.185 0.439 . . . . 1.8200000000000001 112.185 -170.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.9 p -140.96 145.32 35.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.22 0.533 . . . . 1.01 112.015 -176.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.34 162.49 38.06 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.704 -0.68 . . . . 0.79000000000000004 110.012 175.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.4 m -95.07 118.75 32.4 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 116.171 -0.468 . . . . 1.02 110.565 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -65.99 157.9 29.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.02 -0.991 . . . . 1.8500000000000001 108.958 175.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.3 tt -62.38 -20.19 24.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.254 0.55 . . . . 1.3300000000000001 110.467 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -75.25 -8.72 57.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.649 -0.705 . . . . 2.2200000000000002 110.495 176.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.83 17.74 55.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.165 -0.54 . . . . 1.25 111.799 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -103.24 159.16 15.8 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.616 0.246 . . . . 2.1400000000000001 110.746 -177.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -99.2 116.7 32.01 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.887 -0.412 . . . . 2.1899999999999999 109.887 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.3 m -117.97 154.59 19.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.23 -0.441 . . . . 1.02 111.186 -177.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 26' ' ' THR . 36.0 m -89.01 115.86 26.88 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.658 -0.701 . . . . 1.04 110.28 -179.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.675 ' HB ' ' O ' ' A' ' 25' ' ' LYS . 39.7 t -86.07 140.09 16.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.214 -0.448 . . . . 1.1000000000000001 110.65 -174.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 46.8 mt -109.28 121.76 45.88 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.851 -0.426 . . . . 1.9099999999999999 109.851 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' A' ' 50' ' ' ARG . . . -75.58 -32.38 60.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.321 0.581 . . . . 2.1800000000000002 109.874 177.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -106.25 115.35 30.06 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.042 -0.981 . . . . 3.5899999999999999 108.603 175.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 16.9 m -96.97 126.64 49.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.299 0.571 . . . . 2.3999999999999999 110.844 -175.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -103.71 99.67 9.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.645 -0.707 . . . . 3.25 109.482 178.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 53.5 mt -95.81 -78.47 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.968 -0.293 . . . . 2.77 111.185 -176.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -123.91 65.59 1.04 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.555 -0.535 . . . . 3.8399999999999999 109.555 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 61.23 24.11 14.25 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.367 -0.833 . . . . 4.7599999999999998 110.36 -175.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.3 m -124.57 114.98 20.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.257 -0.883 . . . . 3.3300000000000001 108.643 178.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.499 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 26.3 t -98.5 113.03 32.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 120.919 0.39 . . . . 2.3700000000000001 110.788 -176.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.431 ' O ' HG22 ' A' ' 42' ' ' VAL . 95.0 m-85 -113.62 151.93 31.05 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.86 -0.609 . . . . 4.1299999999999999 109.406 177.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 3.1 ptp180 -124.89 153.53 42.49 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.074 0.464 . . . . 4.8399999999999999 111.031 -177.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.495 ' HB3' ' HD3' ' B' ' 88' ' ' LYS . 8.6 pt20 -142.37 133.83 26.5 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.51 -0.768 . . . . 4.5599999999999996 110.457 177.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -91.86 123.77 35.48 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.16 -0.682 . . . . 2.46 109.16 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -80.75 113.67 19.11 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.075 0.464 . . . . 1.1599999999999999 110.289 -175.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.463 ' CE2' ' HB2' ' A' ' 19' ' ' SER . 90.7 t80 -83.35 98.55 9.52 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.405 -0.816 . . . . 3.5600000000000001 109.893 -176.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.562 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 29.8 mt-10 -111.16 117.36 33.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.783 -0.644 . . . . 1.49 110.072 -178.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.528 ' HB ' ' HA ' ' A' ' 107' ' ' ALA . 34.6 m -104.34 118.11 35.83 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.133 -0.485 . . . . 1.0700000000000001 109.995 176.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -112.02 156.01 22.86 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.019 -0.537 . . . . 2.48 110.856 -175.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 62.8 m -80.55 122.75 27.43 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.721 -0.672 . . . . 1.73 110.159 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.421 ' O ' ' HB3' ' A' ' 60' ' ' ALA . 81.7 mtp180 -82.01 82.78 7.49 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.982 -0.747 . . . . 3.48 108.982 175.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 59' ' ' ARG . . . 76.31 131.35 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 O-C-N 124.383 1.052 . . . . 2.5800000000000001 110.033 -172.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.4 p -65.42 -19.68 66.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.74 -0.664 . . . . 2.7599999999999998 111.839 -175.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -137.67 88.8 15.99 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.022 -0.536 . . . . 2.5899999999999999 109.698 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.451 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 9.2 Cg_endo -54.3 -38.91 88.78 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.835 2.357 . . . . 2.5699999999999998 112.442 -178.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.2 m -118.62 157.12 20.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.887 -0.412 . . . . 2.5299999999999998 109.887 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -79.43 71.52 6.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.27 0.557 . . . . 4.1900000000000004 110.288 -177.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.7 t 175.69 -25.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.689 -1.141 . . . . 3.8999999999999999 108.772 -178.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.85 -109.42 0.46 Allowed Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.381 -0.827 . . . . 2.6000000000000001 111.412 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 72.8 m -110.71 167.53 10.16 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.661 0.267 . . . . 1.73 110.517 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -68.39 127.09 31.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.185 -0.462 . . . . 3.9399999999999999 109.976 -178.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.59 -22.73 39.45 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.925 -0.655 . . . . 1.6100000000000001 112.163 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 40.6 mm -81.05 117.47 27.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-O 120.999 0.428 . . . . 1.6499999999999999 110.663 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -146.62 96.53 2.77 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.873 -0.603 . . . . 3.3199999999999998 109.955 176.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.502 ' HB3' ' HB2' ' A' ' 76' ' ' TRP . 45.8 t -155.42 145.41 21.57 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.003 -0.544 . . . . 4.6299999999999999 110.103 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -74.58 -11.15 60.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.499 -0.773 . . . . 3.0600000000000001 110.952 -177.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.413 ' O ' ' HD2' ' A' ' 114' ' ' ARG . 53.0 m80 -123.59 19.63 9.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.138 -0.483 . . . . 3.5099999999999998 111.679 -179.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.502 ' HB2' ' HB3' ' A' ' 73' ' ' SER . 46.7 m95 -136.98 117.17 13.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.086 0.469 . . . . 3.1699999999999999 110.978 175.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -113.95 133.57 55.39 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.291 -1.004 . . . . 2.6899999999999999 108.291 171.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.462 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 1.3 m -101.98 144.91 30.0 Favored 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 120.694 -0.403 . . . . 1.9299999999999999 111.128 -174.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -139.21 135.44 33.96 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.539 -0.541 . . . . 3.73 109.539 170.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.694 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 65.5 m -88.66 129.58 35.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.73 -0.668 . . . . 1.6699999999999999 110.363 -178.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.432 ' O ' HG22 ' A' ' 109' ' ' VAL . 60.5 m -135.22 132.8 38.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.179 -0.464 . . . . 2.2400000000000002 110.131 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.3 p -80.71 132.68 35.58 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.131 0.491 . . . . 2.7799999999999998 111.194 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.1 m -76.79 126.65 31.35 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.726 -0.67 . . . . 2.6899999999999999 109.852 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.503 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 75.5 m80 -106.66 121.74 44.95 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.298 -0.41 . . . . 3.71 110.255 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.631 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 6.5 t -112.42 160.44 17.73 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.428 -0.582 . . . . 1.48 109.428 177.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.444 ' CE2' ' HB3' ' A' ' 103' ' ' ARG . 78.9 m-85 -108.31 115.55 30.32 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.911 0.386 . . . . 1.75 110.36 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.7 m -116.41 134.65 59.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.917 -0.583 . . . . 1.0800000000000001 110.375 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.563 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 5.2 ptmm? -80.61 94.98 6.41 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.509 0.671 . . . . 3.8199999999999998 110.958 178.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -111.26 155.06 23.56 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.081 -0.963 . . . . 1.1299999999999999 109.468 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.5 tp -72.78 104.62 4.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.184 0.516 . . . . 1.45 109.94 -177.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.497 HG22 ' HA ' ' A' ' 38' ' ' VAL . 43.8 p -122.34 156.84 33.08 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.033 -0.728 . . . . 1.1399999999999999 109.033 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.4 t -111.29 119.81 40.14 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.436 0.636 . . . . 1.3200000000000001 110.399 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -69.94 -29.44 66.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.103 -0.953 . . . . 2.4700000000000002 110.512 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -170.7 -72.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.992 -0.549 . . . . 3.0899999999999999 109.881 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -112.99 -26.94 8.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.82 0.343 . . . . 3.29 110.97 177.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -92.25 138.93 31.11 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.394 -0.366 . . . . 2.7400000000000002 110.688 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.22 127.44 47.8 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.323 -0.621 . . . . 1.4399999999999999 109.323 172.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -146.23 151.3 37.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.723 0.297 . . . . 1.3799999999999999 110.672 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -76.4 91.84 3.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.079 -0.51 . . . . 2.3500000000000001 110.243 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.563 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 36.6 mmt180 -95.26 147.32 23.6 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.871 -0.604 . . . . 3.48 110.075 -176.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -81.71 105.23 12.68 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.087 -0.506 . . . . 1.98 109.761 177.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 36.3 pt -113.41 146.87 17.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.317 -0.401 . . . . 0.85999999999999999 110.836 -176.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.631 ' HA ' ' O ' ' A' ' 85' ' ' THR . 38.2 ptt180 -84.25 124.92 31.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.666 -0.697 . . . . 3.71 111.151 -177.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.503 ' O ' ' HA ' ' A' ' 84' ' ' HIS . 40.4 pt -123.71 152.43 28.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.909 -0.587 . . . . 0.82999999999999996 110.78 176.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.562 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 4.4 m-20 -83.1 110.58 18.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.716 -0.675 . . . . 1.6899999999999999 109.743 178.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.511 ' HB ' ' HB ' ' B' ' 106' ' ' THR . 24.5 p -90.49 -44.06 9.84 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.144 0.424 . . . . 2.29 112.144 -175.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.528 ' HA ' ' HB ' ' A' ' 56' ' ' THR . . . -155.74 155.54 33.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.433 -0.348 . . . . 1.1399999999999999 110.652 -177.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.694 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 42.4 t -100.31 113.69 26.59 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.363 -0.606 . . . . 1.5600000000000001 109.363 176.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 81' ' ' THR . 18.2 m -102.79 146.37 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.972 0.415 . . . . 1.0700000000000001 110.627 -176.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.462 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 41.7 t -96.43 115.89 28.16 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.867 -0.606 . . . . 1.45 109.453 176.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 9.6 m -115.43 145.54 21.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 116.312 -0.403 . . . . 1.52 110.024 178.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.6 mt -101.25 156.45 17.43 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.281 0.562 . . . . 1.6699999999999999 110.916 -174.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.5 p -127.97 139.51 52.53 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.136 -0.938 . . . . 2.6200000000000001 108.786 173.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.413 ' HD2' ' O ' ' A' ' 75' ' ' HIS . 28.3 tpt180 . . . . . 0 C--N 1.326 -0.44 0 CA-C-O 120.946 0.403 . . . . 6.7300000000000004 110.762 -173.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.676 -0.49 . . . . 3.6499999999999999 109.676 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 10.9 p -60.05 132.88 55.3 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.032 -0.531 . . . . 2.4199999999999999 110.508 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.1 m -57.18 -25.02 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 CA-C-N 115.661 -0.7 . . . . 1.4099999999999999 111.524 -178.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.441 ' HA ' ' HG3' ' B' ' 63' ' ' PRO . 45.3 t -131.65 137.89 48.52 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.391 -0.596 . . . . 1.75 109.391 175.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -70.02 116.01 9.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.117 0.484 . . . . 2.8700000000000001 110.182 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 19.4 m -120.94 135.93 55.08 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.042 -0.527 . . . . 1.72 110.733 -176.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' B' ' 56' ' ' THR . 7.6 p -109.97 117.07 53.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.131 0.491 . . . . 1.51 110.343 178.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.451 ' HB2' ' CE2' ' B' ' 54' ' ' PHE . 25.5 p -100.3 121.11 40.97 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.155 -0.475 . . . . 1.6599999999999999 110.51 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 44.7 t -119.78 138.06 51.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.765 0.317 . . . . 1.03 110.874 -177.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -97.54 95.93 7.96 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.594 -0.891 . . . . 1.6100000000000001 108.594 171.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.489 HG12 ' H ' ' B' ' 24' ' ' ASP . 48.8 t -82.76 116.02 26.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.907 -0.588 . . . . 0.95999999999999996 110.939 -174.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -97.83 14.67 62.68 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.695 -0.764 . . . . 1.27 112.015 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.489 ' H ' HG12 ' B' ' 22' ' ' VAL . 36.7 t70 -159.51 76.43 0.67 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.245 0.545 . . . . 3.0099999999999998 110.52 178.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.657 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 59.0 tttp -99.36 111.45 23.81 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.581 -0.896 . . . . 1.3200000000000001 108.581 173.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.445 ' O ' ' HA ' ' B' ' 37' ' ' THR . 14.5 t -83.2 -29.8 28.26 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.263 0.468 . . . . 1.8200000000000001 112.263 -170.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 11.4 p -140.99 145.54 36.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.056 0.455 . . . . 1.0 111.829 -176.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.61 162.63 38.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.699 -0.682 . . . . 0.79000000000000004 109.966 174.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 16.9 m -95.12 118.82 32.58 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.222 -0.444 . . . . 1.01 110.498 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . 0.421 ' OD2' ' HB3' ' B' ' 100' ' ' ARG . 10.5 t70 -65.98 157.56 30.52 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.094 -0.957 . . . . 1.8400000000000001 108.963 175.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 17.5 tt -61.95 -20.41 23.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.13 0.49 . . . . 1.3300000000000001 110.432 178.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -75.02 -8.83 57.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.848 -0.615 . . . . 2.2200000000000002 110.488 176.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.82 17.95 55.42 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.105 -0.569 . . . . 1.25 111.848 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -103.41 159.19 15.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.697 0.284 . . . . 2.1400000000000001 110.69 -176.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -99.33 116.7 32.11 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.857 -0.423 . . . . 2.1899999999999999 109.857 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 31.6 m -117.86 154.58 19.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 120.943 0.401 . . . . 1.01 111.268 -177.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' B' ' 26' ' ' THR . 29.7 m -88.65 115.98 26.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.646 -0.707 . . . . 1.04 110.293 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.657 ' HB ' ' O ' ' B' ' 25' ' ' LYS . 39.6 t -86.25 140.15 16.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.29 -0.414 . . . . 1.1000000000000001 110.667 -174.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 47.1 mt -109.36 121.5 45.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.192 -0.458 . . . . 1.9099999999999999 109.917 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.42 -32.03 60.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.214 0.531 . . . . 2.1800000000000002 109.936 177.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -106.67 115.31 29.99 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.395 -0.965 . . . . 3.5899999999999999 108.395 176.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.493 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 17.1 m -96.9 126.5 49.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.282 0.563 . . . . 2.3900000000000001 110.901 -175.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -103.3 99.48 9.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.742 -0.663 . . . . 3.25 109.656 178.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 54.2 mt -95.65 -78.34 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.756 -0.378 . . . . 2.77 110.982 -176.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -124.08 65.78 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.366 -0.605 . . . . 3.8399999999999999 109.366 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 60.87 24.27 14.26 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.528 -0.76 . . . . 4.7599999999999998 110.416 -175.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 13.2 m -124.86 114.93 19.86 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.117 -0.947 . . . . 3.3300000000000001 108.588 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 26.3 t -98.62 113.28 32.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.062 0.458 . . . . 2.3799999999999999 110.635 -177.018 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . 0.417 ' O ' HG22 ' B' ' 42' ' ' VAL . 94.9 m-85 -113.63 151.99 30.99 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.619 -0.719 . . . . 4.1299999999999999 109.36 177.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -124.92 153.46 42.64 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.99 0.424 . . . . 4.8399999999999999 111.191 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.492 ' HB3' ' HD3' ' A' ' 88' ' ' LYS . 8.6 pt20 -142.33 133.95 26.74 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.666 -0.697 . . . . 4.5599999999999996 110.457 177.007 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -91.97 123.77 35.58 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 109.147 -0.686 . . . . 2.4500000000000002 109.147 178.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -80.72 113.54 18.99 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.147 0.499 . . . . 1.1599999999999999 110.368 -175.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . 0.451 ' CE2' ' HB2' ' B' ' 19' ' ' SER . 90.6 t80 -83.26 98.56 9.47 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.408 -0.815 . . . . 3.5600000000000001 109.895 -176.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . 0.566 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 30.3 mt-10 -111.18 117.17 32.48 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.769 -0.651 . . . . 1.49 110.175 -178.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.498 ' HB ' ' HA ' ' B' ' 107' ' ' ALA . 35.7 m -104.45 118.09 35.76 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.255 -0.43 . . . . 1.0700000000000001 109.981 177.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -111.93 156.23 22.41 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.117 -0.492 . . . . 2.48 110.853 -175.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 63.3 m -80.89 122.14 26.85 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.576 -0.738 . . . . 1.73 110.278 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . 0.428 ' O ' ' HB3' ' B' ' 60' ' ' ALA . 81.6 mtp180 -81.49 82.68 7.2 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.081 -0.711 . . . . 3.4900000000000002 109.081 175.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' B' ' 59' ' ' ARG . . . 76.45 131.54 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 O-C-N 124.522 1.139 . . . . 2.5800000000000001 110.086 -172.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 29.9 p -65.65 -19.62 65.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.852 -0.613 . . . . 2.7599999999999998 111.802 -175.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -137.69 88.84 15.93 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.032 -0.531 . . . . 2.5899999999999999 109.763 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' PRO . . . . . 0.441 ' HG3' ' HA ' ' B' ' 15' ' ' CYS . 9.3 Cg_endo -54.51 -38.34 90.11 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.813 2.342 . . . . 2.5699999999999998 112.532 -178.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 35.3 m -119.07 157.1 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.717 -0.475 . . . . 2.5299999999999998 109.717 177.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -79.24 72.36 5.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.166 0.507 . . . . 4.2000000000000002 110.27 -177.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 22.8 t 174.7 -25.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.856 -1.065 . . . . 3.8999999999999999 108.698 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.79 -109.49 0.47 Allowed Glycine 0 N--CA 1.445 -0.764 0 CA-C-N 115.387 -0.824 . . . . 2.6000000000000001 111.455 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 72.5 m -110.55 167.63 10.07 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.681 0.277 . . . . 1.74 110.392 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' B' ' 69' ' ' ARG . 45.4 mtt180 -68.34 127.25 32.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 3.9500000000000002 110.083 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.11 -22.44 40.88 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.844 -0.693 . . . . 1.6000000000000001 112.216 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 40.9 mm -81.42 117.21 27.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.359 . . . . 1.6499999999999999 110.608 -179.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -146.63 96.92 2.84 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.818 -0.628 . . . . 3.3199999999999998 109.876 176.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.488 ' HB3' ' HB2' ' B' ' 76' ' ' TRP . 46.2 t -155.76 145.39 21.12 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.093 -0.503 . . . . 4.6299999999999999 109.87 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -74.08 -12.22 60.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.473 -0.785 . . . . 3.0600000000000001 110.826 -176.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' HIS . . . . . 0.407 ' O ' ' HD2' ' B' ' 114' ' ' ARG . 52.8 m80 -122.88 19.71 10.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.356 -0.384 . . . . 3.5099999999999998 111.604 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' TRP . . . . . 0.488 ' HB2' ' HB3' ' B' ' 73' ' ' SER . 47.2 m95 -136.75 117.09 13.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.899 0.38 . . . . 3.1699999999999999 111.088 175.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -113.81 133.82 55.16 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.258 -1.015 . . . . 2.7000000000000002 108.258 171.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.452 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 1.3 m -102.26 145.09 29.94 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.478 -0.489 . . . . 1.9299999999999999 111.036 -174.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -139.29 135.2 33.59 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.662 -0.496 . . . . 3.73 109.662 170.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.688 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 64.1 m -88.21 129.69 35.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.694 -0.685 . . . . 1.6699999999999999 110.527 -178.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.423 ' O ' HG22 ' B' ' 109' ' ' VAL . 56.1 m -135.32 132.92 38.27 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.294 -0.412 . . . . 2.25 110.334 -179.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 20.9 p -80.86 132.5 35.46 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.153 0.501 . . . . 2.7799999999999998 111.41 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 22.6 m -76.67 126.64 31.33 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.785 -0.643 . . . . 2.6899999999999999 109.739 177.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' HIS . . . . . 0.488 ' HA ' ' O ' ' B' ' 104' ' ' ILE . 76.0 m80 -106.76 122.05 45.59 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.288 -0.414 . . . . 3.71 110.144 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.638 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 6.5 t -112.65 160.56 17.77 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.431 -0.581 . . . . 1.48 109.431 177.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.435 ' CE2' ' HB3' ' B' ' 103' ' ' ARG . 78.5 m-85 -108.5 115.59 30.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.0 0.428 . . . . 1.75 110.317 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 23.6 m -116.47 134.5 59.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.865 -0.607 . . . . 1.0800000000000001 110.418 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . 0.573 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 5.2 ptmm? -80.43 95.23 6.37 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.523 0.677 . . . . 3.8199999999999998 110.833 178.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -111.54 155.09 23.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.075 -0.966 . . . . 1.1299999999999999 109.432 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 18.5 tp -72.6 104.52 3.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.064 0.459 . . . . 1.45 109.862 -177.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' THR . . . . . 0.507 HG22 ' HA ' ' B' ' 38' ' ' VAL . 43.7 p -122.45 157.02 32.84 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.079 -0.711 . . . . 1.1499999999999999 109.079 178.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 10.2 t -111.58 119.32 38.31 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.623 0.725 . . . . 1.3200000000000001 110.6 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -69.63 -29.42 66.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.299 -0.864 . . . . 2.46 110.381 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -170.95 -71.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.975 -0.557 . . . . 3.0899999999999999 110.011 178.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -113.62 -26.11 8.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.819 0.343 . . . . 3.2999999999999998 110.923 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -93.12 138.98 31.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.385 -0.37 . . . . 2.7400000000000002 110.492 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.27 127.62 47.79 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.179 -0.674 . . . . 1.4399999999999999 109.179 172.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -146.37 151.36 37.34 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.769 0.318 . . . . 1.3899999999999999 110.639 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 75.0 m95 -76.47 92.36 3.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.119 -0.491 . . . . 2.3500000000000001 110.045 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' ARG . . . . . 0.573 ' O ' ' HA ' ' B' ' 88' ' ' LYS . 36.6 mmt180 -95.63 147.18 23.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.709 -0.678 . . . . 3.48 110.027 -177.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -81.71 105.48 12.88 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.631 -0.507 . . . . 1.98 109.631 177.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 36.2 pt -113.5 146.94 17.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.217 -0.447 . . . . 0.85999999999999999 110.908 -176.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . 0.638 ' HA ' ' O ' ' B' ' 85' ' ' THR . 38.3 ptt180 -84.28 124.65 31.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.694 -0.685 . . . . 3.7200000000000002 111.319 -177.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' ILE . . . . . 0.488 ' O ' ' HA ' ' B' ' 84' ' ' HIS . 40.5 pt -123.64 152.34 28.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.036 -0.529 . . . . 0.82999999999999996 110.783 176.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . 0.566 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 4.3 m-20 -82.99 110.67 18.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.587 -0.733 . . . . 1.6899999999999999 109.851 178.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' THR . . . . . 0.511 ' HB ' ' HB ' ' A' ' 106' ' ' THR . 24.4 p -90.42 -43.98 9.93 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.074 0.398 . . . . 2.29 112.074 -175.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . 0.498 ' HA ' ' HB ' ' B' ' 56' ' ' THR . . . -155.89 155.5 32.99 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.553 -0.294 . . . . 1.1499999999999999 110.686 -177.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . 0.688 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 42.1 t -100.38 113.36 26.05 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.406 -0.59 . . . . 1.5600000000000001 109.406 176.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.423 HG22 ' O ' ' B' ' 81' ' ' THR . 18.2 m -102.58 146.31 10.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.979 0.418 . . . . 1.0800000000000001 110.631 -176.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 41.7 t -96.32 115.97 28.28 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.845 -0.616 . . . . 1.45 109.478 176.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 9.9 m -115.52 145.57 21.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.363 -0.38 . . . . 1.52 110.145 178.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 61.4 mt -101.18 156.28 17.52 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.975 -0.557 . . . . 1.6699999999999999 110.871 -174.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 15.4 p -127.82 139.74 52.46 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.157 -0.928 . . . . 2.6200000000000001 108.768 173.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' ARG . . . . . 0.407 ' HD2' ' O ' ' B' ' 75' ' ' HIS . 28.5 tpt180 . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 116.309 -0.405 . . . . 6.7199999999999998 110.656 -173.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 . . . . . 0 CA--C 1.52 -0.176 0 CA-C-O 120.767 0.318 . . . . 3.6499999999999999 110.365 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.1 t -151.97 161.61 42.37 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.131 -0.486 . . . . 2.4199999999999999 109.876 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 m -75.57 -17.35 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.954 -0.566 . . . . 1.4099999999999999 110.711 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 97.7 m -123.15 124.64 43.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.785 -0.643 . . . . 1.75 109.876 176.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.97 115.49 2.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 2.8700000000000001 110.566 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.5 m -124.96 130.21 51.9 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.129 -0.487 . . . . 1.72 110.415 -177.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' A' ' 56' ' ' THR . 7.1 p -112.47 115.54 50.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.133 0.492 . . . . 1.51 110.716 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 47.9 m -89.87 117.43 28.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.303 -0.408 . . . . 1.6599999999999999 110.067 177.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.2 t -118.97 138.41 49.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.141 -0.482 . . . . 1.03 110.066 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -102.69 95.79 6.45 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.241 -0.652 . . . . 1.6100000000000001 109.241 175.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.0 t -93.69 108.68 20.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.5 -0.773 . . . . 0.95999999999999996 110.487 -175.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.39 11.25 58.24 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.404 -0.903 . . . . 1.27 112.032 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -132.71 29.58 4.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.709 0.29 . . . . 3.02 110.838 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.634 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 85.6 tttt -75.92 108.5 8.84 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.122 -0.695 . . . . 1.3200000000000001 109.122 177.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.1 t -95.05 -7.79 38.58 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.037 0.384 . . . . 1.8200000000000001 112.037 -173.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.4 p -141.54 134.17 28.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.723 0.297 . . . . 1.01 110.966 177.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.49 161.26 40.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.184 -0.462 . . . . 0.79000000000000004 110.507 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.0 m -96.34 116.98 29.91 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.175 0.512 . . . . 1.02 110.788 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.409 ' CG ' HH21 ' A' ' 100' ' ' ARG . 20.8 t70 -65.72 164.89 13.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.079 -0.964 . . . . 1.8500000000000001 110.758 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.464 ' HA ' ' CE2' ' A' ' 86' ' ' PHE . 16.0 tt -61.05 -28.89 44.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.671 0.272 . . . . 1.3300000000000001 111.199 -179.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -78.22 -11.45 59.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.454 -0.339 . . . . 2.2200000000000002 110.87 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.57 14.92 36.19 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.753 -0.736 . . . . 1.25 112.565 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -94.3 141.61 28.37 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.433 -0.21 . . . . 2.1400000000000001 110.433 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -85.74 115.19 23.25 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.909 -0.775 . . . . 2.1899999999999999 108.909 173.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 m -115.54 153.62 17.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.057 -0.52 . . . . 1.02 111.002 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.7 m -88.69 108.63 19.57 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.384 -0.825 . . . . 1.04 110.515 -177.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.634 ' HB ' ' O ' ' A' ' 25' ' ' LYS . 15.6 t -79.4 136.87 22.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.089 -0.708 . . . . 1.1000000000000001 109.089 178.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.0 mt -82.35 2.82 30.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.723 -0.217 . . . . 1.9099999999999999 111.42 -176.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.568 ' H ' HG12 ' A' ' 38' ' ' VAL . . . 69.64 -45.97 0.58 Allowed 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.926 0.89 . . . . 2.1800000000000002 111.677 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -127.09 149.82 49.76 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.386 -0.598 . . . . 3.5899999999999999 109.386 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.7 m -96.85 124.68 49.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.545 -0.539 . . . . 2.3999999999999999 109.545 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -78.43 149.2 33.32 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.519 -0.549 . . . . 3.25 109.519 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.464 ' HB ' ' HB ' ' A' ' 48' ' ' VAL . 14.6 tt -71.45 77.05 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-O 122.061 0.934 . . . . 2.77 112.66 -171.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -90.1 -3.67 57.78 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.71 -1.219 . . . . 3.8399999999999999 107.71 163.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.417 ' HB2' ' HB2' ' B' ' 46' ' ' ASN . 2.7 t-20 -163.98 -46.93 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 113.862 -1.517 . . . . 4.7599999999999998 108.371 176.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.6 p -147.18 159.25 43.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.534 -0.757 . . . . 3.3300000000000001 109.566 177.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.464 ' HB ' ' HB ' ' A' ' 44' ' ' ILE . 4.1 p -123.81 112.62 33.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.473 0.654 . . . . 2.3700000000000001 110.776 177.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -145.8 140.31 27.02 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.472 -0.786 . . . . 4.1299999999999999 110.094 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 50' ' ' ARG . 13.1 ttm180 -78.26 127.89 32.91 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.35 -0.611 . . . . 4.8399999999999999 109.35 173.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.85 90.02 6.89 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.26 -0.427 . . . . 4.5599999999999996 110.46 -175.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -75.38 122.28 23.53 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.233 -0.655 . . . . 2.46 109.233 173.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -96.74 118.84 34.06 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.039 -0.528 . . . . 1.1599999999999999 110.173 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -83.9 93.74 8.09 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.543 0.687 . . . . 3.5600000000000001 109.422 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.455 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 16.6 mt-10 -108.67 107.92 18.57 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.653 -0.703 . . . . 1.49 110.137 -176.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.533 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 42.3 m -96.02 104.66 16.62 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.599 -0.728 . . . . 1.0700000000000001 109.568 176.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -102.75 151.75 22.03 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.561 -0.745 . . . . 2.48 110.331 -174.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.6 t -89.82 125.27 35.26 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.065 -0.516 . . . . 1.73 110.581 -176.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -96.99 16.02 20.71 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.037 -0.529 . . . . 3.48 110.372 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -146.76 172.41 13.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.787 -0.642 . . . . 2.5800000000000001 110.331 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.1 m -140.45 -48.51 0.44 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.457 -0.571 . . . . 2.7599999999999998 109.457 176.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -137.04 89.75 16.44 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 108.826 -0.805 . . . . 2.5899999999999999 108.826 173.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -50.03 -31.26 27.16 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 123.456 2.771 . . . . 2.5699999999999998 113.567 -177.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 36.0 m -124.49 -177.95 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.981 -0.287 . . . . 2.5299999999999998 110.542 174.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -46.87 -45.02 20.06 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 113.023 0.749 . . . . 4.1900000000000004 113.023 -175.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.459 ' HB3' ' OG ' ' A' ' 73' ' ' SER . 21.2 t -146.44 54.7 1.13 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.144 0.497 . . . . 3.8999999999999999 110.401 -178.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.87 -156.02 26.84 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.405 -0.902 . . . . 2.6000000000000001 112.617 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 71.7 m -100.55 160.92 13.96 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.316 -0.253 . . . . 1.73 110.316 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 33.8 mtm-85 -67.66 126.48 29.51 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.835 0.35 . . . . 3.9399999999999999 110.8 -177.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.77 -29.76 11.82 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.992 -0.623 . . . . 1.6100000000000001 111.903 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.2 mm -73.43 137.47 23.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 122.63 0.372 . . . . 1.6499999999999999 111.228 -176.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -70.91 96.38 1.27 Allowed 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.115 -0.493 . . . . 3.3199999999999998 110.596 175.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.575 ' HA ' ' O ' ' A' ' 76' ' ' TRP . 11.1 t -63.87 -16.29 61.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.211 0.529 . . . . 4.6299999999999999 110.635 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -66.05 -28.79 69.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 3.0600000000000001 111.391 176.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -119.83 -27.76 5.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.727 0.299 . . . . 3.5099999999999998 110.969 -176.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.575 ' O ' ' HA ' ' A' ' 73' ' ' SER . 97.3 m95 -124.73 133.7 53.09 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.083 0.468 . . . . 3.1699999999999999 111.327 -175.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -103.44 134.48 46.74 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.643 -1.243 . . . . 2.6899999999999999 107.643 167.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.703 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 1.3 m -128.11 147.95 50.56 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.72 0.295 . . . . 1.9299999999999999 111.207 -171.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.474 ' O ' HG22 ' A' ' 111' ' ' VAL . 75.1 t80 -143.45 135.33 26.62 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.912 -0.586 . . . . 3.73 109.685 176.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.799 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 64.4 m -81.72 111.84 18.34 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.997 -0.547 . . . . 1.6699999999999999 110.494 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.0 m -116.98 128.41 55.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.856 -0.611 . . . . 2.2400000000000002 110.418 -176.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.1 m -87.42 119.61 27.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.952 0.406 . . . . 2.7799999999999998 110.895 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.3 m -77.47 143.54 38.43 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.59 -0.522 . . . . 2.6899999999999999 109.59 174.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -118.87 137.43 53.44 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.777 -0.453 . . . . 3.71 109.777 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.67 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 13.3 t -118.79 172.13 7.74 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.827 -0.435 . . . . 1.48 109.827 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.535 ' CE2' ' HB3' ' A' ' 103' ' ' ARG . 97.5 m-85 -119.42 124.94 47.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.791 0.329 . . . . 1.75 111.009 -174.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.3 m -120.35 145.36 26.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.998 -0.546 . . . . 1.0800000000000001 110.658 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -83.43 113.66 20.91 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.523 0.678 . . . . 3.8199999999999998 110.697 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.7 157.0 42.58 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.6 -0.727 . . . . 1.1299999999999999 110.517 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.8 tp -83.13 106.91 15.32 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.436 -0.579 . . . . 1.45 109.436 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.6 p -118.16 147.67 43.11 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.737 -0.665 . . . . 1.1399999999999999 110.535 -176.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 96' ' ' GLN . 9.0 t -105.0 118.56 36.84 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.68 0.752 . . . . 1.3200000000000001 111.01 -178.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -86.66 88.53 7.68 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.455 -0.943 . . . . 2.4700000000000002 108.455 174.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 69.23 -70.01 0.15 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.08 -0.963 . . . . 3.0899999999999999 110.913 -173.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -137.08 2.29 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.668 0.247 . . . . 3.29 111.668 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' A' ' 92' ' ' THR . 57.9 tp60 -102.64 108.56 19.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.621 0.248 . . . . 2.7400000000000002 110.959 -177.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.24 108.63 15.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.46 -0.337 . . . . 1.4399999999999999 110.391 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -135.7 151.26 50.0 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.23 -0.441 . . . . 1.3799999999999999 110.871 -177.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 81.9 m95 -77.44 118.45 19.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.986 -0.552 . . . . 2.3500000000000001 110.199 178.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.409 HH21 ' CG ' ' A' ' 30' ' ' ASP . 17.1 mtp180 -129.27 162.84 26.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.203 -0.453 . . . . 3.48 110.365 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -97.79 111.81 23.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.061 -0.518 . . . . 1.98 109.857 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 23.2 pt -113.57 149.04 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.156 -0.475 . . . . 0.85999999999999999 110.617 -176.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.67 ' HA ' ' O ' ' A' ' 85' ' ' THR . 19.5 ptp180 -89.13 137.69 32.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.312 0.577 . . . . 3.71 111.381 -174.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 30.2 pt -131.5 151.59 35.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.328 -0.851 . . . . 0.82999999999999996 110.236 176.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.455 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 1.6 m-20 -64.82 121.3 14.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.771 -0.65 . . . . 1.6899999999999999 109.509 177.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.514 ' O ' ' HB ' ' A' ' 56' ' ' THR . 2.3 m -97.65 -53.0 3.57 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.338 -0.392 . . . . 2.29 111.689 -172.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -166.78 157.86 12.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.386 -0.37 . . . . 1.1399999999999999 110.186 -178.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.799 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 51.7 t -105.5 117.8 34.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.861 0.363 . . . . 1.5600000000000001 110.036 177.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 26.3 m -105.02 150.25 7.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.111 -0.495 . . . . 1.0700000000000001 110.533 -177.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.703 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 43.3 t -97.56 101.73 13.33 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.298 -0.63 . . . . 1.45 109.298 177.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.598 ' O ' ' HA ' ' A' ' 78' ' ' SER . 25.8 m -76.39 134.75 28.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.33 -0.395 . . . . 1.52 110.097 -178.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 97.3 mt -107.92 138.27 44.47 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.993 0.425 . . . . 1.6699999999999999 110.476 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.2 p -134.4 146.96 50.36 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.684 -0.689 . . . . 2.6200000000000001 109.172 174.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 . . . . . 0 C--N 1.325 -0.481 0 CA-C-O 120.954 0.407 . . . . 6.7300000000000004 110.676 -175.939 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 120.714 0.293 . . . . 3.6499999999999999 110.261 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 28.9 t -151.98 161.71 42.22 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.757 -0.46 . . . . 2.4199999999999999 109.757 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 m -75.82 -17.06 15.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.897 -0.592 . . . . 1.4099999999999999 110.683 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 97.1 m -123.22 124.48 43.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.814 -0.63 . . . . 1.75 109.9 176.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.06 115.27 2.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 2.8700000000000001 110.511 -178.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 21.1 m -124.58 130.72 52.98 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.959 -0.564 . . . . 1.72 110.406 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' B' ' 56' ' ' THR . 7.1 p -112.78 115.52 50.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.101 0.477 . . . . 1.51 110.55 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.421 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 50.3 m -89.66 117.37 28.48 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.206 -0.452 . . . . 1.6599999999999999 110.151 177.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 56.8 t -118.88 138.28 50.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.205 -0.452 . . . . 1.03 110.086 -179.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 83.7 m95 -102.6 95.71 6.41 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.386 -0.598 . . . . 1.6100000000000001 109.386 175.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 21.9 t -93.76 108.69 20.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.441 -0.799 . . . . 0.95999999999999996 110.468 -175.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.53 11.52 58.07 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.489 -0.862 . . . . 1.27 112.107 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -133.16 29.54 4.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.705 0.288 . . . . 3.0099999999999998 110.865 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.634 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 85.7 tttt -75.78 108.46 8.66 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.089 -0.708 . . . . 1.3200000000000001 109.089 177.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 11.3 t -95.15 -7.87 37.99 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.021 0.378 . . . . 1.8200000000000001 112.021 -173.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.3 p -141.37 134.42 29.16 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.696 0.284 . . . . 1.0 110.931 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.77 160.91 41.66 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.286 -0.416 . . . . 0.79000000000000004 110.577 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 16.9 m -95.94 117.07 29.9 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.122 0.487 . . . . 1.01 110.842 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . 0.428 ' CG ' HH21 ' B' ' 100' ' ' ARG . 21.6 t70 -65.97 164.76 14.51 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.025 -0.989 . . . . 1.8400000000000001 110.711 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.464 ' HA ' ' CE2' ' B' ' 86' ' ' PHE . 16.2 tt -60.71 -28.98 44.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.842 0.353 . . . . 1.3300000000000001 111.158 -179.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -78.28 -11.21 59.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.936 0.398 . . . . 2.2200000000000002 111.064 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.89 13.79 38.94 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.798 -0.715 . . . . 1.25 112.604 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -93.7 141.5 28.42 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.357 -0.238 . . . . 2.1400000000000001 110.357 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -85.42 115.53 23.21 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.87 -0.789 . . . . 2.1899999999999999 108.87 173.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 29.8 m -116.03 153.78 17.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-O 121.047 0.451 . . . . 1.01 111.085 -176.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 22.8 m -88.61 108.42 19.43 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.425 -0.807 . . . . 1.04 110.48 -177.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.634 ' HB ' ' O ' ' B' ' 25' ' ' LYS . 15.4 t -79.34 136.91 22.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.156 -0.683 . . . . 1.1000000000000001 109.156 178.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 97.1 mt -82.29 2.55 31.51 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.623 -0.262 . . . . 1.9099999999999999 111.282 -176.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.574 ' H ' HG12 ' B' ' 38' ' ' VAL . . . 69.81 -46.17 0.59 Allowed 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.89 0.876 . . . . 2.1800000000000002 111.65 -178.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -127.02 149.87 49.7 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.355 -0.609 . . . . 3.5899999999999999 109.355 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 16.9 m -96.95 124.8 49.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.557 -0.535 . . . . 2.3900000000000001 109.557 177.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -78.44 149.31 33.29 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.51 -0.552 . . . . 3.25 109.51 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.484 ' HB ' ' HB ' ' B' ' 48' ' ' VAL . 14.4 tt -71.66 76.73 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-O 122.143 0.973 . . . . 2.77 112.836 -172.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -90.02 -3.5 57.94 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.712 -1.218 . . . . 3.8399999999999999 107.712 164.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.417 ' HB2' ' HB2' ' A' ' 46' ' ' ASN . 2.8 t-20 -164.14 -46.92 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 113.931 -1.486 . . . . 4.7599999999999998 108.375 176.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 18.2 p -147.28 159.08 44.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.527 -0.76 . . . . 3.3300000000000001 109.645 177.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.484 ' HB ' ' HB ' ' B' ' 44' ' ' ILE . 4.3 p -123.74 112.64 33.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.472 0.653 . . . . 2.3799999999999999 110.878 177.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -145.83 140.95 27.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.47 -0.787 . . . . 4.1299999999999999 110.085 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' B' ' 50' ' ' ARG . 13.0 ttm180 -79.18 127.81 32.5 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.188 -0.671 . . . . 4.8399999999999999 109.188 173.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.69 89.99 6.8 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.333 -0.394 . . . . 4.5599999999999996 110.429 -175.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -75.31 122.12 23.23 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.248 -0.649 . . . . 2.4500000000000002 109.248 173.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -96.6 118.89 34.04 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.128 -0.487 . . . . 1.1599999999999999 110.154 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -83.95 93.75 8.11 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.515 0.674 . . . . 3.5600000000000001 109.608 176.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . 0.454 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 16.8 mt-10 -108.58 107.82 18.47 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.709 -0.678 . . . . 1.49 110.157 -176.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.522 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 43.9 m -96.04 104.79 16.75 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.602 -0.726 . . . . 1.0700000000000001 109.462 176.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -102.88 151.91 21.9 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.695 -0.684 . . . . 2.48 110.223 -174.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 4.6 t -90.06 125.66 35.5 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.112 0.482 . . . . 1.73 110.473 -176.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -97.23 15.98 21.19 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.812 -0.631 . . . . 3.4900000000000002 110.3 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -146.93 172.46 13.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.828 -0.623 . . . . 2.5800000000000001 110.268 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 42.8 m -140.78 -48.32 0.42 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.515 -0.55 . . . . 2.7599999999999998 109.515 176.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -137.36 89.8 15.75 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 108.73 -0.841 . . . . 2.5899999999999999 108.73 173.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -50.11 -31.16 27.38 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.543 2.829 . . . . 2.5699999999999998 113.613 -177.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 35.8 m -124.54 -177.99 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.985 -0.286 . . . . 2.5299999999999998 110.529 174.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -46.72 -45.39 19.54 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.887 0.699 . . . . 4.2000000000000002 112.887 -175.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . 0.454 ' HB3' ' OG ' ' B' ' 73' ' ' SER . 22.2 t -146.09 54.8 1.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.321 0.581 . . . . 3.8999999999999999 110.376 -178.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.86 -156.03 26.84 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.329 -0.939 . . . . 2.6000000000000001 112.595 177.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 71.4 m -100.44 161.05 13.86 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.281 -0.266 . . . . 1.74 110.281 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 33.9 mtm-85 -67.95 126.33 29.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.83 0.348 . . . . 3.9500000000000002 110.841 -177.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.81 -29.64 12.07 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.937 -0.649 . . . . 1.6000000000000001 112.05 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 49.3 mm -73.47 137.78 22.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 122.454 0.302 . . . . 1.6499999999999999 111.206 -177.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -71.2 96.45 1.39 Allowed 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.085 -0.507 . . . . 3.3199999999999998 110.661 175.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.586 ' HA ' ' O ' ' B' ' 76' ' ' TRP . 11.0 t -63.9 -16.27 61.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.295 0.569 . . . . 4.6299999999999999 110.588 178.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -65.84 -29.22 69.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.079 -0.51 . . . . 3.0600000000000001 111.487 176.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -119.6 -27.51 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.785 0.326 . . . . 3.5099999999999998 111.067 -176.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' TRP . . . . . 0.586 ' O ' ' HA ' ' B' ' 73' ' ' SER . 97.5 m95 -124.79 133.77 53.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.116 0.484 . . . . 3.1699999999999999 111.333 -176.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -103.37 134.45 46.73 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.735 -1.209 . . . . 2.7000000000000002 107.735 167.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.693 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 1.3 m -128.12 148.13 50.57 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.769 0.319 . . . . 1.9299999999999999 111.328 -171.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . 0.464 ' O ' HG22 ' B' ' 111' ' ' VAL . 74.9 t80 -143.53 135.36 26.51 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.793 -0.639 . . . . 3.73 109.717 176.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.792 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 64.7 m -81.91 111.48 18.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.094 -0.503 . . . . 1.6699999999999999 110.496 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 24.8 m -116.84 128.12 54.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.825 -0.625 . . . . 2.25 110.3 -176.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 23.0 m -86.6 120.17 27.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.865 0.364 . . . . 2.7799999999999998 111.12 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 13.6 m -77.91 143.44 37.71 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.569 -0.53 . . . . 2.6899999999999999 109.569 174.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -118.85 137.34 53.49 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.83 -0.433 . . . . 3.71 109.83 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.657 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 13.4 t -118.53 172.28 7.59 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.753 -0.462 . . . . 1.48 109.753 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.535 ' CE2' ' HB3' ' B' ' 103' ' ' ARG . 97.4 m-85 -119.51 124.91 47.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.827 0.346 . . . . 1.75 110.977 -174.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 m -120.26 145.54 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.926 -0.579 . . . . 1.0800000000000001 110.756 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -83.59 113.61 20.95 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 121.593 0.711 . . . . 3.8199999999999998 110.736 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.74 157.04 42.51 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.589 -0.732 . . . . 1.1299999999999999 110.553 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 31.7 tp -83.06 106.92 15.26 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.416 -0.587 . . . . 1.45 109.416 177.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 52.8 p -118.26 147.51 43.36 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.738 -0.665 . . . . 1.1499999999999999 110.447 -176.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' B' ' 96' ' ' GLN . 9.3 t -104.74 118.71 37.23 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.505 0.669 . . . . 1.3200000000000001 110.979 -178.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -86.88 88.91 7.8 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.453 -0.943 . . . . 2.46 108.453 173.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 68.95 -69.68 0.15 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.084 -0.962 . . . . 3.0899999999999999 111.052 -173.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -137.59 2.5 2.45 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.7 0.259 . . . . 3.2999999999999998 111.7 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' GLN . . . . . 0.455 ' O ' ' HA ' ' B' ' 92' ' ' THR . 57.8 tp60 -103.04 108.38 19.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.565 0.222 . . . . 2.7400000000000002 110.873 -177.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.22 108.83 15.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.34 -0.391 . . . . 1.4399999999999999 110.202 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -135.76 151.19 49.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.203 -0.453 . . . . 1.3899999999999999 110.88 -177.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 80.9 m95 -77.27 118.92 20.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.93 -0.577 . . . . 2.3500000000000001 110.186 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' ARG . . . . . 0.428 HH21 ' CG ' ' B' ' 30' ' ' ASP . 17.1 mtp180 -129.72 162.4 28.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.227 -0.442 . . . . 3.48 110.503 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -97.31 111.96 23.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.099 -0.501 . . . . 1.98 109.931 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 23.5 pt -113.71 149.13 16.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.236 -0.438 . . . . 0.85999999999999999 110.513 -176.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . 0.657 ' HA ' ' O ' ' B' ' 85' ' ' THR . 19.4 ptp180 -89.11 137.73 32.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.277 0.56 . . . . 3.7200000000000002 111.457 -174.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 30.4 pt -131.62 151.47 35.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.349 -0.841 . . . . 0.82999999999999996 110.299 175.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . 0.454 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 1.6 m-20 -64.61 121.03 13.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.805 -0.634 . . . . 1.6899999999999999 109.577 177.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' THR . . . . . 0.522 ' O ' ' HB ' ' B' ' 56' ' ' THR . 2.4 m -97.53 -53.05 3.56 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.403 -0.362 . . . . 2.29 111.658 -172.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -166.51 157.99 13.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 1.1499999999999999 110.269 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . 0.792 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 51.5 t -105.56 117.74 34.78 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.951 0.405 . . . . 1.5600000000000001 110.018 177.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 26.3 m -104.93 150.31 7.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.074 -0.512 . . . . 1.0800000000000001 110.625 -177.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.693 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 43.5 t -97.66 101.7 13.28 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.243 -0.651 . . . . 1.45 109.243 177.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.595 ' O ' ' HA ' ' B' ' 78' ' ' SER . 25.2 m -76.28 135.19 27.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.31 -0.404 . . . . 1.52 110.091 -178.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 96.9 mt -108.3 138.21 44.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.875 0.369 . . . . 1.6699999999999999 110.399 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 24.4 p -134.33 146.82 50.32 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.213 -0.662 . . . . 2.6200000000000001 109.213 174.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 . . . . . 0 C--N 1.325 -0.488 0 CA-C-O 120.909 0.385 . . . . 6.7199999999999998 110.755 -175.943 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.224 -0.658 . . . . 3.6499999999999999 109.224 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.3 p -75.01 133.69 41.61 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.109 -0.951 . . . . 2.4199999999999999 110.419 -178.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.436 ' O ' ' HB2' ' A' ' 68' ' ' CYS . 28.3 m -59.82 -24.19 28.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.037 -0.529 . . . . 1.4099999999999999 110.879 177.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.569 ' SG ' ' HB2' ' A' ' 110' ' ' CYS . 62.7 m -129.06 118.98 23.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.435 -0.802 . . . . 1.75 109.178 175.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -54.99 118.22 4.11 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 123.438 0.461 . . . . 2.8700000000000001 110.76 -178.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.421 ' HB3' HG22 ' A' ' 56' ' ' THR . 30.6 m -126.72 149.6 49.5 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.082 -0.508 . . . . 1.72 110.516 -177.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.538 ' O ' ' HA ' ' A' ' 56' ' ' THR . 7.1 p -122.3 132.0 72.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.411 -0.359 . . . . 1.51 111.06 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.8 m -91.48 124.03 35.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.788 0.328 . . . . 1.6599999999999999 110.265 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.0 t -125.54 138.25 55.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.354 -0.384 . . . . 1.03 110.913 -175.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 93.9 m95 -103.11 96.51 6.84 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.037 -0.727 . . . . 1.6100000000000001 109.037 172.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.6 t -84.71 109.03 17.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.861 -0.608 . . . . 0.95999999999999996 110.566 -176.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.35 19.14 55.1 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.681 -0.771 . . . . 1.27 111.971 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -174.1 84.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.652 -0.499 . . . . 3.02 109.652 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -89.89 -17.15 28.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.517 -0.311 . . . . 1.3200000000000001 111.441 -175.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.7 p 63.42 -54.24 0.2 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.053 1.341 . . . . 1.8200000000000001 113.669 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.3 p -134.4 143.31 47.53 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.81 0.338 . . . . 1.01 111.099 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.453 ' HB1' ' HB ' ' A' ' 102' ' ' ILE . . . -151.17 156.29 40.65 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.208 -0.451 . . . . 0.79000000000000004 110.717 177.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 56.4 m -99.92 120.52 39.92 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.082 -0.508 . . . . 1.02 111.237 -176.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.434 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 21.5 t70 -71.71 164.02 26.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.212 -0.904 . . . . 1.8500000000000001 110.264 178.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.4 tt -57.64 -22.84 18.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 122.944 0.498 . . . . 1.3300000000000001 111.834 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.407 ' HG3' ' OD1' ' A' ' 30' ' ' ASP . 35.8 mttp -82.46 -2.75 54.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.956 0.408 . . . . 2.2200000000000002 110.912 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.56 17.79 57.93 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.963 -0.637 . . . . 1.25 111.746 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -93.77 131.26 39.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.699 0.285 . . . . 2.1400000000000001 110.935 -178.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -86.61 114.71 23.55 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.846 -0.798 . . . . 2.1899999999999999 108.846 176.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.4 m -122.9 156.98 28.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.118 0.485 . . . . 1.02 111.711 -174.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.5 m -83.45 117.96 23.42 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.307 -0.861 . . . . 1.04 110.41 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.401 ' HA ' HG22 ' A' ' 91' ' ' THR . 89.4 t -87.37 130.74 36.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.941 -0.572 . . . . 1.1000000000000001 110.64 -177.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.4 mt -88.38 113.6 24.15 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.523 -0.547 . . . . 1.9099999999999999 109.523 177.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.15 -31.19 72.25 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.462 0.649 . . . . 2.1800000000000002 109.684 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.514 ' HA ' ' HA ' ' A' ' 50' ' ' ARG . 39.0 mt-10 -115.74 115.29 26.07 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 114.922 -1.035 . . . . 3.5899999999999999 108.756 174.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.508 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 25.6 m -93.06 139.1 18.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.244 0.545 . . . . 2.3999999999999999 111.253 -173.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -101.08 99.64 10.11 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.368 -0.833 . . . . 3.25 109.721 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 52.5 mt -106.8 86.69 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.973 0.416 . . . . 2.77 110.256 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 61.27 63.71 1.18 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.572 -0.74 . . . . 3.8399999999999999 110.449 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.7 m120 64.03 20.61 12.27 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.283 -0.871 . . . . 4.7599999999999998 111.6 176.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.9 t -129.4 118.4 22.12 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.358 -0.608 . . . . 3.3300000000000001 109.358 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.508 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 39.5 t -101.37 130.59 50.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.051 0.453 . . . . 2.3700000000000001 111.527 -174.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.427 ' O ' HG22 ' A' ' 42' ' ' VAL . 79.6 m-85 -137.07 133.55 35.55 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.75 -0.659 . . . . 4.1299999999999999 109.287 174.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.514 ' HA ' ' HA ' ' A' ' 41' ' ' GLU . 27.8 ptt180 -82.51 145.06 29.99 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.32 -0.552 . . . . 4.8399999999999999 109.878 179.318 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.448 ' OE1' ' HE3' ' B' ' 88' ' ' LYS . 86.8 mm-40 -120.12 154.46 34.68 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.001 -0.545 . . . . 4.5599999999999996 111.536 -172.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -122.82 151.35 41.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.579 -0.737 . . . . 2.46 109.378 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -122.71 123.23 40.63 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.995 -0.372 . . . . 1.1599999999999999 109.995 176.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -85.1 103.16 13.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.982 0.42 . . . . 3.5600000000000001 110.388 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -100.91 162.78 12.66 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.411 0.624 . . . . 1.49 110.123 175.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.572 ' HB ' ' C ' ' A' ' 106' ' ' THR . 50.7 m -140.89 100.44 3.83 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 107.687 -1.227 . . . . 1.0700000000000001 107.687 169.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -101.71 147.36 26.55 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.1 -0.954 . . . . 2.48 109.74 -165.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.86 116.05 21.34 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.317 0.579 . . . . 1.73 110.54 -173.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -75.93 -34.52 59.89 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.411 -0.813 . . . . 3.48 110.296 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -135.62 113.61 11.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.798 -0.637 . . . . 2.5800000000000001 110.853 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.9 t -69.88 -24.65 63.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.079 -0.51 . . . . 2.7599999999999998 110.032 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -147.79 87.92 5.74 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.64 -0.709 . . . . 2.5899999999999999 109.58 174.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.434 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 52.9 Cg_exo -53.46 -38.41 83.09 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.069 2.513 . . . . 2.5699999999999998 112.876 -177.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.8 m -118.09 154.92 20.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.734 -0.469 . . . . 2.5299999999999998 109.734 178.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 66' ' ' SER . 36.4 tt0 -81.2 70.92 8.15 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.992 0.425 . . . . 4.1900000000000004 111.072 -173.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.433 ' HB2' ' O ' ' A' ' 65' ' ' GLU . 4.9 t 175.75 -39.29 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.362 -0.835 . . . . 3.8999999999999999 109.043 178.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -169.72 -118.4 0.45 Allowed Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.447 -0.797 . . . . 2.6000000000000001 111.161 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 14' ' ' VAL . 24.7 p -126.48 -178.6 4.41 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.408 -0.59 . . . . 1.73 109.408 174.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -72.19 132.37 44.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.74 0.305 . . . . 3.9399999999999999 111.055 -175.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.38 -42.76 2.19 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.891 -0.671 . . . . 1.6100000000000001 113.693 173.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.3 mm -59.9 132.97 25.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 112.209 0.448 . . . . 1.6499999999999999 112.209 -175.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.412 ' OD1' ' HB3' ' A' ' 74' ' ' LYS . 21.5 t70 -71.44 99.76 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.864 -0.607 . . . . 3.3199999999999998 109.416 172.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.701 ' HA ' ' O ' ' A' ' 76' ' ' TRP . 5.2 t -77.76 -4.29 45.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.911 -0.586 . . . . 4.6299999999999999 111.037 -174.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.412 ' HB3' ' OD1' ' A' ' 72' ' ' ASP . 38.8 ttmt -66.3 -40.74 90.2 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.421 0.629 . . . . 3.0600000000000001 109.534 174.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -96.82 -38.36 9.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.657 -0.702 . . . . 3.5099999999999998 110.951 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.701 ' O ' ' HA ' ' A' ' 73' ' ' SER . 87.9 m95 -118.52 134.19 55.28 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.189 0.519 . . . . 3.1699999999999999 112.032 -171.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -95.38 134.74 37.84 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.803 -1.184 . . . . 2.6899999999999999 107.803 169.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.69 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 3.7 m -125.64 147.8 49.2 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.362 -0.535 . . . . 1.9299999999999999 112.179 -170.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -151.21 147.82 27.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.338 -0.846 . . . . 3.73 108.95 170.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.641 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 35.4 m -94.45 130.71 40.71 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.155 -0.475 . . . . 1.6699999999999999 111.082 -174.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.0 m -126.97 135.3 50.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.902 -0.59 . . . . 2.2400000000000002 109.716 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 108' ' ' CYS . 21.1 p -79.54 134.21 36.48 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 121.21 0.529 . . . . 2.7799999999999998 111.809 -177.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.6 m -92.14 124.53 36.29 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.547 -0.751 . . . . 2.6899999999999999 109.136 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.429 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 2.3 p-80 -119.67 136.26 54.48 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.08 0.467 . . . . 3.71 111.47 -176.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.574 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 14.6 t -111.85 164.27 13.27 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.43 -0.804 . . . . 1.48 109.402 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -103.27 116.78 33.11 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.917 0.389 . . . . 1.75 109.973 -177.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.468 HG12 HG12 ' B' ' 87' ' ' VAL . 26.9 m -109.83 152.74 11.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.999 -0.546 . . . . 1.0800000000000001 111.046 -176.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.439 ' HE3' ' OE1' ' B' ' 51' ' ' GLN . 42.8 mttp -86.26 109.56 19.02 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.452 -0.794 . . . . 3.8199999999999998 110.197 -177.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.5 139.1 52.5 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.114 -0.494 . . . . 1.1299999999999999 110.945 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 35.6 tp -75.35 114.74 14.23 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.233 -0.654 . . . . 1.45 109.233 176.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.401 HG22 ' HA ' ' A' ' 38' ' ' VAL . 77.5 p -122.37 166.7 14.29 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.048 -0.523 . . . . 1.1399999999999999 110.56 -175.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.1 t -123.27 110.54 15.34 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.444 0.64 . . . . 1.3200000000000001 110.049 176.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -77.41 -45.77 24.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.775 -0.648 . . . . 2.4700000000000002 110.234 -178.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -125.32 -76.05 0.59 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.252 -0.431 . . . . 3.0899999999999999 110.784 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -123.07 -48.6 1.99 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.865 0.364 . . . . 3.29 111.107 -177.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -78.34 177.03 8.77 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.118 -0.492 . . . . 2.7400000000000002 110.869 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -122.07 132.41 54.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.095 -0.502 . . . . 1.4399999999999999 110.848 -177.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -141.78 146.74 36.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.917 -0.583 . . . . 1.3799999999999999 110.37 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 17.2 m-90 -74.73 119.34 18.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.147 -0.479 . . . . 2.3500000000000001 111.276 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -110.17 169.5 8.69 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.628 -0.715 . . . . 3.48 109.789 176.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.434 ' O ' ' HA ' ' A' ' 30' ' ' ASP . 27.3 m-85 -111.32 101.95 10.38 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.316 -0.994 . . . . 1.98 108.316 179.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.453 ' HB ' ' HB1' ' A' ' 28' ' ' ALA . 37.8 pt -111.5 142.91 22.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.079 0.466 . . . . 0.85999999999999999 111.062 -168.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.574 ' HA ' ' O ' ' A' ' 85' ' ' THR . 35.9 ptt180 -83.82 125.45 31.96 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.79 -0.641 . . . . 3.71 111.395 -174.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.429 ' O ' ' HA ' ' A' ' 84' ' ' HIS . 42.8 pt -121.88 134.25 65.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.723 -0.672 . . . . 0.82999999999999996 109.668 173.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.424 ' HB3' ' HB ' ' A' ' 82' ' ' THR . 17.6 m-20 -80.09 113.44 18.26 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.371 -0.603 . . . . 1.6899999999999999 109.371 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.572 ' C ' ' HB ' ' A' ' 56' ' ' THR . 7.4 t -123.08 22.72 9.46 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.096 0.474 . . . . 2.29 111.048 -171.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -174.76 156.24 2.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.006 -0.543 . . . . 1.1399999999999999 109.982 176.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.641 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 48.5 t -130.71 113.47 14.19 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.227 -0.657 . . . . 1.5600000000000001 109.227 172.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.0 m -106.46 145.91 13.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.959 -0.564 . . . . 1.0700000000000001 110.866 -174.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.69 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 42.7 t -92.74 116.28 28.88 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.328 -0.619 . . . . 1.45 109.328 177.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.2 m -98.14 152.41 4.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 110.0 -0.371 . . . . 1.52 110.0 -179.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 62.7 mt -112.35 139.79 47.61 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.238 0.542 . . . . 1.6699999999999999 111.716 -174.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 38.0 t -121.44 140.23 52.43 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.869 -0.789 . . . . 2.6200000000000001 108.869 172.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 . . . . . 0 C--N 1.324 -0.535 0 CA-C-O 120.944 0.402 . . . . 6.7300000000000004 110.898 -176.206 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.306 -0.627 . . . . 3.6499999999999999 109.306 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 12.3 p -74.83 133.71 41.85 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.068 -0.969 . . . . 2.4199999999999999 110.445 -178.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.43 ' O ' ' HG2' ' B' ' 63' ' ' PRO . 28.0 m -59.76 -24.32 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 115.837 -0.62 . . . . 1.4099999999999999 110.936 177.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.573 ' SG ' ' HB2' ' B' ' 110' ' ' CYS . 62.6 m -128.87 119.0 23.65 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.323 -0.853 . . . . 1.75 109.236 175.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -55.05 117.85 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.833 0.349 . . . . 2.8700000000000001 110.734 -178.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . 0.414 ' HB3' HG22 ' B' ' 56' ' ' THR . 31.7 m -126.45 149.72 49.13 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.206 -0.452 . . . . 1.72 110.518 -177.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.524 ' O ' ' HA ' ' B' ' 56' ' ' THR . 7.1 p -122.27 131.65 72.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.815 0.341 . . . . 1.51 111.057 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 28.6 m -91.1 124.01 35.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.843 0.354 . . . . 1.6599999999999999 110.223 178.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 42.7 t -125.57 138.62 53.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.277 -0.419 . . . . 1.03 110.851 -175.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -103.56 96.29 6.63 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.032 -0.729 . . . . 1.6100000000000001 109.032 172.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 47.1 t -84.5 108.96 17.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.776 -0.647 . . . . 0.95999999999999996 110.642 -176.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.24 19.07 55.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.688 -0.768 . . . . 1.27 112.062 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -174.13 84.8 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.557 -0.534 . . . . 3.0099999999999998 109.557 -179.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -89.78 -17.24 28.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.441 -0.345 . . . . 1.3200000000000001 111.307 -176.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 68.2 p 63.54 -54.36 0.21 Allowed 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.968 1.307 . . . . 1.8200000000000001 113.631 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.3 p -134.0 143.92 48.42 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.004 0.431 . . . . 1.0 111.158 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.447 ' HB1' ' HB ' ' B' ' 102' ' ' ILE . . . -151.81 156.59 40.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.073 -0.512 . . . . 0.79000000000000004 110.719 177.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 46.0 m -100.17 120.53 40.02 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.026 -0.534 . . . . 1.01 111.205 -176.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . 0.428 ' HA ' ' O ' ' B' ' 101' ' ' PHE . 20.8 t70 -71.64 164.2 26.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.169 -0.923 . . . . 1.8400000000000001 110.228 178.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 14.3 tt -57.7 -23.4 20.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 C-N-CA 122.96 0.504 . . . . 1.3300000000000001 111.768 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.415 ' HG3' ' OD1' ' B' ' 30' ' ' ASP . 36.1 mttp -81.52 -3.85 54.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.941 0.4 . . . . 2.2200000000000002 110.958 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.47 17.45 57.02 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 121.091 -0.575 . . . . 1.25 111.841 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -93.49 131.79 38.38 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.627 0.251 . . . . 2.1400000000000001 110.851 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -87.34 114.62 24.12 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.788 -0.819 . . . . 2.1899999999999999 108.788 176.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 27.5 m -122.7 157.18 27.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.106 0.479 . . . . 1.01 111.682 -174.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 20.1 m -83.97 117.85 23.64 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.344 -0.843 . . . . 1.04 110.22 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.42 ' HA ' HG22 ' B' ' 91' ' ' THR . 94.2 t -87.19 130.62 36.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.912 -0.585 . . . . 1.1000000000000001 110.513 -177.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 84.2 mt -88.34 113.61 24.12 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.532 -0.544 . . . . 1.9099999999999999 109.532 177.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.17 -31.16 72.2 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.441 0.639 . . . . 2.1800000000000002 109.718 178.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.505 ' HA ' ' HA ' ' B' ' 50' ' ' ARG . 36.7 mt-10 -115.67 115.22 26.01 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.946 -1.025 . . . . 3.5899999999999999 108.934 174.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 26.0 m -92.94 139.07 18.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.179 0.514 . . . . 2.3900000000000001 111.201 -173.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -100.98 99.65 10.15 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.413 -0.812 . . . . 3.25 109.753 178.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 52.3 mt -106.91 87.64 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.35 -0.386 . . . . 2.77 110.05 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 60.32 63.91 1.31 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.517 -0.765 . . . . 3.8399999999999999 110.443 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 13.5 m120 64.0 20.6 12.27 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.214 -0.903 . . . . 4.7599999999999998 111.565 175.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 23.7 t -129.22 118.29 22.12 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.337 -0.616 . . . . 3.3300000000000001 109.337 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 39.1 t -100.95 131.04 49.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.273 -0.422 . . . . 2.3799999999999999 111.497 -174.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . 0.422 ' O ' HG22 ' B' ' 42' ' ' VAL . 79.8 m-85 -137.36 134.04 35.54 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.326 -0.62 . . . . 4.1299999999999999 109.326 174.062 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.505 ' HA ' ' HA ' ' B' ' 41' ' ' GLU . 27.6 ptt180 -82.7 145.07 29.8 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.276 -0.57 . . . . 4.8399999999999999 109.86 179.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.439 ' OE1' ' HE3' ' A' ' 88' ' ' LYS . 86.5 mm-40 -120.2 154.95 34.11 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.934 -0.576 . . . . 4.5599999999999996 111.453 -172.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -123.14 151.36 42.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.551 -0.749 . . . . 2.4500000000000002 109.314 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -122.87 123.21 40.46 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 110.077 -0.342 . . . . 1.1599999999999999 110.077 176.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -85.06 103.05 13.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.966 0.413 . . . . 3.5600000000000001 110.379 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -100.73 162.65 12.77 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.436 0.636 . . . . 1.49 110.093 175.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.572 ' HB ' ' C ' ' B' ' 106' ' ' THR . 50.8 m -140.93 100.23 3.78 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 107.707 -1.22 . . . . 1.0700000000000001 107.707 169.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -101.38 147.28 26.52 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.935 -1.029 . . . . 2.48 109.822 -165.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.78 115.94 21.24 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.111 0.481 . . . . 1.73 110.577 -173.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -75.92 -34.79 59.93 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.498 -0.774 . . . . 3.4900000000000002 110.176 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -135.33 113.45 11.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.869 -0.605 . . . . 2.5800000000000001 110.899 -178.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 22.8 t -69.98 -24.37 63.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 2.7599999999999998 110.066 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -147.96 88.26 5.59 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.426 -0.806 . . . . 2.5899999999999999 109.367 174.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' PRO . . . . . 0.43 ' HG2' ' O ' ' B' ' 14' ' ' VAL . 51.1 Cg_exo -53.57 -38.57 83.89 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.043 2.495 . . . . 2.5699999999999998 113.05 -178.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 31.3 m -118.09 154.51 20.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.837 -0.431 . . . . 2.5299999999999998 109.837 178.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' B' ' 66' ' ' SER . 35.9 tt0 -80.85 71.07 7.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.908 0.385 . . . . 4.2000000000000002 111.172 -173.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . 0.436 ' HB2' ' O ' ' B' ' 65' ' ' GLU . 4.8 t 175.64 -39.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.453 -0.794 . . . . 3.8999999999999999 109.094 178.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -170.18 -118.53 0.46 Allowed Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.994 -0.842 . . . . 2.6000000000000001 110.994 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' B' ' 14' ' ' VAL . 24.7 p -126.27 -178.4 4.31 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.401 -0.592 . . . . 1.74 109.401 174.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -72.36 132.17 43.61 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 121.08 -0.248 . . . . 3.9500000000000002 111.094 -175.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.98 -43.09 2.07 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 121.019 -0.61 . . . . 1.6000000000000001 113.427 172.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 47.3 mm -59.89 132.71 25.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.029 0.442 . . . . 1.6499999999999999 112.187 -175.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -71.14 99.39 1.86 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.688 -0.687 . . . . 3.3199999999999998 109.475 172.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.697 ' HA ' ' O ' ' B' ' 76' ' ' TRP . 5.3 t -77.36 -4.39 44.92 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.049 -0.523 . . . . 4.6299999999999999 110.954 -174.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -66.28 -41.03 90.43 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.383 -0.599 . . . . 3.0600000000000001 109.383 174.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -96.62 -38.41 9.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.749 -0.659 . . . . 3.5099999999999998 110.926 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' TRP . . . . . 0.697 ' O ' ' HA ' ' B' ' 73' ' ' SER . 87.5 m95 -118.26 134.23 55.21 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.126 0.489 . . . . 3.1699999999999999 112.023 -171.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -95.2 134.78 37.56 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 107.827 -1.175 . . . . 2.7000000000000002 107.827 169.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.695 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 3.7 m -125.81 147.48 49.41 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.32 -0.552 . . . . 1.9299999999999999 112.121 -170.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -150.96 147.94 27.78 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.304 -0.862 . . . . 3.73 108.838 170.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.649 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 35.2 m -94.49 130.62 40.8 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.019 -0.537 . . . . 1.6699999999999999 111.041 -174.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 59.3 m -126.81 134.97 50.44 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.757 -0.656 . . . . 2.25 109.792 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.468 ' HA ' ' HA ' ' B' ' 108' ' ' CYS . 21.4 p -79.31 134.05 36.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.156 0.503 . . . . 2.7799999999999998 111.823 -177.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 5.8 m -92.06 124.33 36.08 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.547 -0.751 . . . . 2.6899999999999999 109.187 176.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' HIS . . . . . 0.441 ' HA ' ' O ' ' B' ' 104' ' ' ILE . 2.2 p-80 -119.67 136.03 54.57 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.915 0.388 . . . . 3.71 111.217 -176.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.574 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 14.7 t -111.76 164.28 13.22 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.508 -0.769 . . . . 1.48 109.297 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -103.31 116.61 32.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.098 0.475 . . . . 1.75 110.171 -177.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . 0.468 HG12 HG12 ' A' ' 87' ' ' VAL . 27.1 m -109.87 152.77 11.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.835 -0.62 . . . . 1.0800000000000001 110.855 -176.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . 0.448 ' HE3' ' OE1' ' A' ' 51' ' ' GLN . 42.8 mttp -86.47 109.42 19.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.398 -0.819 . . . . 3.8199999999999998 110.173 -177.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.36 139.01 52.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.072 -0.513 . . . . 1.1299999999999999 111.029 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 35.1 tp -75.31 114.65 14.08 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.285 -0.635 . . . . 1.45 109.285 176.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' THR . . . . . 0.42 HG22 ' HA ' ' B' ' 38' ' ' VAL . 79.3 p -122.23 166.98 13.76 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.901 -0.591 . . . . 1.1499999999999999 110.612 -175.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 6.8 t -123.68 110.99 15.66 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.46 0.648 . . . . 1.3200000000000001 109.954 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -78.0 -45.15 24.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.666 -0.697 . . . . 2.46 110.325 -178.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -125.74 -75.79 0.59 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.26 -0.427 . . . . 3.0899999999999999 110.946 177.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -123.23 -49.32 1.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.953 0.406 . . . . 3.2999999999999998 111.138 -178.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -77.66 176.67 8.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.169 -0.468 . . . . 2.7400000000000002 110.94 -178.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -121.78 133.1 54.91 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.288 -0.414 . . . . 1.4399999999999999 110.899 -177.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.24 146.63 35.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.888 -0.596 . . . . 1.3899999999999999 110.259 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 17.2 m-90 -74.64 119.63 19.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.109 0.48 . . . . 2.3500000000000001 111.267 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -110.34 169.54 8.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.57 -0.741 . . . . 3.48 109.894 176.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.428 ' O ' ' HA ' ' B' ' 30' ' ' ASP . 27.7 m-85 -111.34 101.89 10.32 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.354 -0.98 . . . . 1.98 108.354 179.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' ILE . . . . . 0.447 ' HB ' ' HB1' ' B' ' 28' ' ' ALA . 36.7 pt -111.55 142.93 22.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.07 0.462 . . . . 0.85999999999999999 111.103 -168.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . 0.574 ' HA ' ' O ' ' B' ' 85' ' ' THR . 35.8 ptt180 -83.66 125.52 31.93 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.802 -0.635 . . . . 3.7200000000000002 111.353 -174.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' ILE . . . . . 0.441 ' O ' ' HA ' ' B' ' 84' ' ' HIS . 42.9 pt -121.91 134.22 65.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.813 -0.63 . . . . 0.82999999999999996 109.857 172.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . 0.412 ' HB3' ' HB ' ' B' ' 82' ' ' THR . 16.1 m-20 -80.16 113.47 18.35 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.298 -0.631 . . . . 1.6899999999999999 109.298 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' THR . . . . . 0.572 ' C ' ' HB ' ' B' ' 56' ' ' THR . 7.0 t -123.06 22.85 9.44 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.292 -0.413 . . . . 2.29 111.014 -171.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -175.16 156.16 2.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.016 -0.538 . . . . 1.1499999999999999 109.96 176.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . 0.649 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 48.5 t -130.67 113.4 14.13 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.191 -0.67 . . . . 1.5600000000000001 109.191 172.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 29.7 m -106.43 145.75 13.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.068 -0.514 . . . . 1.0800000000000001 110.924 -174.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.695 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 42.8 t -92.55 116.44 29.0 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.212 -0.662 . . . . 1.45 109.212 177.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 18.1 m -98.22 152.38 4.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.993 -0.373 . . . . 1.52 109.993 -179.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 62.7 mt -112.3 139.73 47.61 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.278 0.561 . . . . 1.6699999999999999 111.711 -174.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 38.6 t -121.38 140.53 52.0 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.793 -0.817 . . . . 2.6200000000000001 108.793 172.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 . . . . . 0 C--N 1.324 -0.521 0 CA-C-O 121.092 0.472 . . . . 6.7199999999999998 110.84 -176.278 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.414 ' HB2' HG12 ' B' ' 111' ' ' VAL . 88.1 m-85 . . . . . 0 N--CA 1.466 0.362 0 CA-C-O 121.363 0.601 . . . . 3.6499999999999999 112.359 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.8 t -172.45 152.22 2.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.426 -0.806 . . . . 2.4199999999999999 109.439 175.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -79.57 -6.09 9.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.291 0.567 . . . . 1.4099999999999999 110.749 178.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.7 t -129.59 152.41 49.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.283 -0.872 . . . . 1.75 109.088 178.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.502 ' HB3' ' O ' ' A' ' 59' ' ' ARG . 6.3 t0 -73.48 115.21 12.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.326 0.584 . . . . 2.8700000000000001 109.763 -176.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.4 m -112.53 134.71 53.91 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.75 -0.659 . . . . 1.72 110.693 -175.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.567 ' O ' ' HA ' ' A' ' 56' ' ' THR . 4.5 p -109.86 115.35 49.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.951 0.405 . . . . 1.51 110.669 178.226 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.9 m -97.07 119.29 35.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.086 -0.507 . . . . 1.6599999999999999 110.533 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.1 t -119.82 138.07 51.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.145 -0.479 . . . . 1.03 110.365 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -97.36 95.61 7.8 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.874 -0.787 . . . . 1.6100000000000001 108.874 173.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 49.0 t -87.38 112.86 23.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.86 -0.609 . . . . 0.95999999999999996 110.297 -175.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.89 -12.38 64.02 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.359 -0.924 . . . . 1.27 112.486 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -141.18 72.53 1.39 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.766 0.317 . . . . 3.02 111.12 -178.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.509 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 58.6 tttp -74.66 127.51 33.3 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.998 -0.741 . . . . 1.3200000000000001 108.998 174.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 t -83.49 -42.28 17.07 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.295 0.48 . . . . 1.8200000000000001 112.295 -171.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.0 p -141.16 147.8 39.01 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.644 0.259 . . . . 1.01 111.007 -177.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.414 ' HB1' ' HB ' ' A' ' 102' ' ' ILE . . . -153.61 162.73 40.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.014 -0.539 . . . . 0.79000000000000004 110.54 176.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.42 ' HB ' ' HE ' ' A' ' 103' ' ' ARG . 6.9 m -100.08 119.87 38.97 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.871 -0.604 . . . . 1.02 110.514 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.427 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 10.5 t70 -69.34 157.93 36.05 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.938 -0.764 . . . . 1.8500000000000001 108.938 174.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.7 tt -58.9 -16.89 10.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 123.167 0.587 . . . . 1.3300000000000001 111.908 -177.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -84.04 2.03 41.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.929 0.395 . . . . 2.2200000000000002 110.867 177.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.55 24.38 50.59 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.127 -0.558 . . . . 1.25 112.232 177.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -107.89 128.43 54.61 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.686 0.279 . . . . 2.1400000000000001 110.934 -178.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -88.87 115.56 26.5 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.531 -0.544 . . . . 2.1899999999999999 109.531 177.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.5 m -130.3 161.24 40.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.128 0.489 . . . . 1.02 111.666 -175.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 29.2 m -82.75 121.58 27.07 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.334 -0.848 . . . . 1.04 110.367 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.509 ' HB ' ' O ' ' A' ' 25' ' ' LYS . 60.5 t -87.68 135.83 24.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.059 -0.518 . . . . 1.1000000000000001 111.088 -174.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 74.3 mt -105.06 127.34 52.84 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.214 -0.661 . . . . 1.9099999999999999 109.214 175.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.22 -23.68 63.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.235 0.541 . . . . 2.1800000000000002 110.476 179.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.452 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 5.6 mm-40 -105.17 115.9 31.05 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.907 -1.042 . . . . 3.5899999999999999 109.594 -177.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 49' ' ' PHE . 28.3 m -92.59 99.88 10.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 122.038 0.923 . . . . 2.3999999999999999 110.534 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.41 ' H ' HD22 ' A' ' 90' ' ' LEU . 32.3 m-80 -78.12 99.66 6.26 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.886 -1.052 . . . . 3.25 109.646 178.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.484 HG22 ' OD1' ' A' ' 45' ' ' ASN . 65.3 mt -77.43 -71.85 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.738 -0.467 . . . . 2.77 109.738 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.484 ' OD1' HG22 ' A' ' 44' ' ' ILE . 11.6 m120 -135.6 -65.15 0.61 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.833 -0.803 . . . . 3.8399999999999999 108.833 172.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -124.54 -17.01 6.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.243 -0.889 . . . . 4.7599999999999998 110.052 177.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.4 m -97.22 127.77 43.5 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.947 -0.57 . . . . 3.3300000000000001 110.17 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.452 ' CG1' ' HB3' ' A' ' 41' ' ' GLU . 43.7 t -116.38 123.14 71.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.953 -0.567 . . . . 2.3700000000000001 110.151 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.468 ' O ' HG22 ' A' ' 42' ' ' VAL . 96.6 m-85 -120.7 160.95 22.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.583 -0.28 . . . . 4.1299999999999999 110.602 -178.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.444 ' HB3' ' OE1' ' A' ' 41' ' ' GLU . 5.8 ptp180 -141.11 165.78 26.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.394 -0.366 . . . . 4.8399999999999999 110.291 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -150.19 163.17 38.93 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.014 -0.735 . . . . 4.5599999999999996 109.014 175.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -105.11 124.95 50.41 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.012 -0.736 . . . . 2.46 109.012 176.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -78.23 125.05 28.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.334 -0.393 . . . . 1.1599999999999999 110.508 -176.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -84.94 94.26 8.74 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.842 -0.617 . . . . 3.5600000000000001 109.798 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.77 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 26.7 mt-10 -104.29 104.62 14.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.15 -0.477 . . . . 1.49 110.737 -178.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.567 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 48.4 m -100.67 113.98 27.3 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.83 -0.433 . . . . 1.0700000000000001 109.83 174.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -117.24 163.85 15.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.021 -0.536 . . . . 2.48 111.09 -172.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 84.4 m -85.44 112.23 20.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.708 -0.678 . . . . 1.73 111.262 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.502 ' O ' ' HB3' ' A' ' 16' ' ' ASP . 22.9 ptt180 -113.77 129.44 56.58 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.086 -0.709 . . . . 3.48 109.086 173.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 60.36 78.68 0.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.188 0.518 . . . . 2.5800000000000001 109.962 -174.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.7 t -66.36 -11.63 52.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.594 -0.73 . . . . 2.7599999999999998 111.401 -176.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.45 ' ND2' ' HA2' ' A' ' 67' ' ' GLY . 14.0 m120 -127.67 76.17 77.29 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 116.566 -0.288 . . . . 2.5899999999999999 110.228 177.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -57.46 -31.69 92.05 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 122.292 1.995 . . . . 2.5699999999999998 111.195 176.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.3 m -116.4 158.61 16.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.273 -0.876 . . . . 2.5299999999999998 108.826 172.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -79.63 60.32 3.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.197 0.522 . . . . 4.1900000000000004 110.614 -175.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.7 m -163.79 -45.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.312 -0.858 . . . . 3.8999999999999999 109.356 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.45 ' HA2' ' ND2' ' A' ' 62' ' ' ASN . . . 166.74 -123.71 1.16 Allowed Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.691 -0.964 . . . . 2.6000000000000001 110.691 -179.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 82.9 m -81.05 162.15 23.89 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.902 -0.407 . . . . 1.73 109.902 174.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 -78.2 135.63 37.65 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.703 0.287 . . . . 3.9399999999999999 110.318 -177.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 103.17 -35.63 4.88 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 121.02 -0.609 . . . . 1.6100000000000001 112.105 178.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.463 HG22 ' H ' ' A' ' 73' ' ' SER . 33.6 mm -63.17 122.82 14.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 110.306 -0.257 . . . . 1.6499999999999999 110.306 -179.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -61.87 -23.99 66.64 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.153 -0.476 . . . . 3.3199999999999998 111.352 -178.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.533 ' HA ' ' O ' ' A' ' 76' ' ' TRP . 19.7 m 65.7 11.3 7.44 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.702 -0.681 . . . . 4.6299999999999999 112.297 172.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -106.05 -36.02 7.07 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.422 -0.585 . . . . 3.0600000000000001 109.422 175.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -91.74 -24.45 19.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.683 -0.689 . . . . 3.5099999999999998 110.035 176.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.544 ' CE3' ' HB3' ' A' ' 112' ' ' LEU . 97.7 m95 -134.89 140.22 45.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.714 -0.676 . . . . 3.1699999999999999 111.884 -172.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.453 ' HB3' ' OG ' ' A' ' 113' ' ' SER . 8.4 t30 -97.38 135.43 39.29 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.971 -1.122 . . . . 2.6899999999999999 107.971 168.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.0 t -131.34 135.86 47.61 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.181 0.515 . . . . 1.9299999999999999 112.369 -167.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.454 ' CZ ' HG21 ' A' ' 111' ' ' VAL . 42.5 p90 -156.83 166.93 31.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.321 -0.854 . . . . 3.73 108.806 170.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.527 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 12.9 m -105.32 140.86 37.81 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.851 0.358 . . . . 1.6699999999999999 111.62 -170.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.499 ' O ' HG22 ' A' ' 109' ' ' VAL . 50.6 m -132.18 136.04 46.77 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.998 -0.546 . . . . 2.2400000000000002 109.697 178.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.8 m -87.81 127.7 35.33 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.746 0.308 . . . . 2.7799999999999998 111.028 -177.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.3 t -91.27 167.19 12.49 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.135 -0.32 . . . . 2.6899999999999999 110.135 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -138.97 143.97 38.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.901 0.382 . . . . 3.71 111.552 -170.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.646 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 7.9 t -116.2 171.07 8.05 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.17 -0.678 . . . . 1.48 109.17 174.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.469 ' HA ' ' O ' ' A' ' 102' ' ' ILE . 97.4 m-85 -117.46 115.86 26.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.081 0.467 . . . . 1.75 110.573 -178.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.586 HG12 HG12 ' B' ' 87' ' ' VAL . 26.6 m -112.91 149.07 15.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.749 -0.66 . . . . 1.0800000000000001 111.065 -176.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -75.19 110.9 9.91 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.319 -0.401 . . . . 3.8199999999999998 110.031 176.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.78 139.91 51.97 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.293 -0.412 . . . . 1.1299999999999999 110.646 178.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.41 HD22 ' H ' ' A' ' 43' ' ' ASN . 26.0 tp -78.1 125.04 28.77 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.345 -0.983 . . . . 1.45 108.345 173.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 97' ' ' ALA . 66.5 p -124.0 153.83 40.72 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.972 -0.291 . . . . 1.1399999999999999 110.749 -175.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.8 t -114.12 109.89 19.14 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.695 0.76 . . . . 1.3200000000000001 109.804 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -74.27 -51.51 15.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.346 -0.843 . . . . 2.4700000000000002 110.711 -175.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -136.89 -72.85 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.265 -0.425 . . . . 3.0899999999999999 110.516 176.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -127.91 7.41 6.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.728 0.299 . . . . 3.29 111.273 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -130.02 154.18 47.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.875 0.369 . . . . 2.7400000000000002 110.687 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.427 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -108.2 128.83 55.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.747 -0.661 . . . . 1.4399999999999999 110.505 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -135.9 148.11 48.44 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.333 -0.394 . . . . 1.3799999999999999 110.639 -178.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -75.72 124.97 28.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.103 -0.499 . . . . 2.3500000000000001 110.85 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 100' ' ' ARG . 54.9 mmt-85 -126.92 164.37 21.59 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.943 -0.571 . . . . 3.48 110.729 178.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.427 ' O ' ' HA ' ' A' ' 30' ' ' ASP . 30.6 m-85 -110.37 106.09 15.32 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.691 -1.225 . . . . 1.98 107.691 176.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.469 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 39.0 pt -111.49 144.55 19.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.311 0.577 . . . . 0.85999999999999999 111.619 -168.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.646 ' HA ' ' O ' ' A' ' 85' ' ' THR . 28.6 ptt180 -79.48 123.42 27.54 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 114.923 -1.035 . . . . 3.71 110.507 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 44.9 pt -121.97 143.03 35.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 109.692 -0.484 . . . . 0.82999999999999996 109.692 173.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.77 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 37.9 m-20 -62.56 126.66 28.09 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.286 -0.635 . . . . 1.6899999999999999 109.286 178.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.551 ' O ' ' HB ' ' A' ' 56' ' ' THR . 3.5 m -116.26 -36.43 4.05 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 112.781 0.659 . . . . 2.29 112.781 -172.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.401 ' HA ' ' HB ' ' A' ' 56' ' ' THR . . . -156.47 158.63 37.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.771 0.319 . . . . 1.1399999999999999 110.974 -176.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.527 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 51.7 t -105.64 117.47 34.11 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.091 -0.504 . . . . 1.5600000000000001 109.652 177.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 81' ' ' THR . 12.0 m -104.91 158.89 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.313 -0.403 . . . . 1.0700000000000001 110.088 -178.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 42.7 t -110.16 125.22 52.8 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.806 -0.442 . . . . 1.45 109.806 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.484 HG12 ' HB2' ' B' ' 12' ' ' PHE . 2.9 m -92.39 154.21 3.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.351 -0.386 . . . . 1.52 110.304 -178.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.544 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . 96.8 mt -125.76 138.41 53.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.192 0.52 . . . . 1.6699999999999999 110.383 175.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.48 ' O ' ' HA ' ' A' ' 76' ' ' TRP . 2.2 p -137.1 170.19 16.51 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.653 -0.703 . . . . 2.6200000000000001 109.644 176.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 . . . . . 0 C--N 1.321 -0.642 0 N-CA-C 112.423 0.527 . . . . 6.7300000000000004 112.423 -173.396 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . 0.484 ' HB2' HG12 ' A' ' 111' ' ' VAL . 87.2 m-85 . . . . . 0 N--CA 1.468 0.438 0 CA-C-O 121.409 0.623 . . . . 3.6499999999999999 112.278 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 33.4 t -172.71 151.99 2.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.45 -0.795 . . . . 2.4199999999999999 109.413 176.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -79.54 -5.99 8.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.236 0.541 . . . . 1.4099999999999999 110.727 178.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 49.8 t -129.55 152.33 49.19 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.295 -0.866 . . . . 1.75 109.144 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . 0.496 ' HB3' ' O ' ' B' ' 59' ' ' ARG . 6.3 t0 -73.47 115.32 12.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.363 0.602 . . . . 2.8700000000000001 109.765 -176.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 18.1 m -112.6 134.64 54.02 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.778 -0.646 . . . . 1.72 110.602 -175.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.559 ' O ' ' HA ' ' B' ' 56' ' ' THR . 4.6 p -109.99 115.45 49.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.916 0.388 . . . . 1.51 110.699 178.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.1 m -97.14 118.84 34.47 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.985 -0.552 . . . . 1.6599999999999999 110.712 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 46.6 t -119.55 138.24 50.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.222 -0.445 . . . . 1.03 110.271 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -97.52 95.83 7.9 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.721 -0.844 . . . . 1.6100000000000001 108.721 173.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 48.5 t -87.41 112.83 23.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.823 -0.626 . . . . 0.95999999999999996 110.382 -175.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.84 -12.22 64.39 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.235 -0.983 . . . . 1.27 112.457 -178.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -141.73 72.64 1.39 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.811 0.338 . . . . 3.0099999999999998 111.13 -178.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.506 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 58.5 tttp -74.66 127.72 33.8 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.054 -0.721 . . . . 1.3200000000000001 109.054 173.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 8.9 t -83.76 -42.36 16.61 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.164 0.431 . . . . 1.8200000000000001 112.164 -171.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.0 p -141.07 147.66 38.94 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.693 0.282 . . . . 1.0 111.077 -177.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.411 ' HB1' ' HB ' ' B' ' 102' ' ' ILE . . . -153.34 162.92 40.78 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.952 -0.567 . . . . 0.79000000000000004 110.603 176.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 6.7 m -100.31 119.88 39.08 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.898 -0.592 . . . . 1.01 110.514 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . 0.431 ' HA ' ' O ' ' B' ' 101' ' ' PHE . 10.3 t70 -69.43 157.94 36.11 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.094 -0.706 . . . . 1.8400000000000001 109.094 174.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.5 tt -58.92 -16.56 9.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 123.056 0.543 . . . . 1.3300000000000001 111.866 -177.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -84.43 2.24 41.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.894 0.378 . . . . 2.2200000000000002 110.923 177.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.55 24.1 51.53 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 121.025 -0.607 . . . . 1.25 112.293 177.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -107.68 128.34 54.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.74 0.305 . . . . 2.1400000000000001 111.053 -178.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -88.71 115.43 26.24 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.585 -0.524 . . . . 2.1899999999999999 109.585 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 8.0 m -130.19 161.29 40.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.179 0.514 . . . . 1.01 111.644 -175.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 28.1 m -83.0 121.52 27.11 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.268 -0.878 . . . . 1.04 110.42 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.506 ' HB ' ' O ' ' B' ' 25' ' ' LYS . 61.0 t -87.75 135.57 25.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.066 -0.516 . . . . 1.1000000000000001 111.225 -174.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 73.6 mt -104.88 127.13 52.59 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.258 -0.645 . . . . 1.9099999999999999 109.258 175.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.11 -23.71 64.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.222 0.534 . . . . 2.1800000000000002 110.398 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.457 ' HB3' ' CG1' ' B' ' 48' ' ' VAL . 5.5 mm-40 -105.18 115.92 31.08 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.029 -0.987 . . . . 3.5899999999999999 109.658 -177.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.464 HG22 ' O ' ' B' ' 49' ' ' PHE . 28.3 m -92.58 99.92 10.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 122.001 0.905 . . . . 2.3900000000000001 110.587 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.406 ' H ' HD22 ' B' ' 90' ' ' LEU . 31.9 m-80 -78.18 99.39 6.19 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.925 -1.034 . . . . 3.25 109.681 178.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.482 HG22 ' OD1' ' B' ' 45' ' ' ASN . 64.6 mt -76.98 -72.47 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.818 -0.438 . . . . 2.77 109.818 178.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . 0.482 ' OD1' HG22 ' B' ' 44' ' ' ILE . 11.8 m120 -135.0 -65.32 0.63 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.889 -0.782 . . . . 3.8399999999999999 108.889 172.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -124.21 -17.16 6.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.174 -0.921 . . . . 4.7599999999999998 109.927 177.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 16.5 m -97.0 127.5 43.03 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.932 -0.576 . . . . 3.3300000000000001 110.185 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.457 ' CG1' ' HB3' ' B' ' 41' ' ' GLU . 43.6 t -116.49 122.86 70.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.057 -0.52 . . . . 2.3799999999999999 110.192 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . 0.464 ' O ' HG22 ' B' ' 42' ' ' VAL . 96.7 m-85 -120.26 160.92 22.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.486 -0.325 . . . . 4.1299999999999999 110.71 -178.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.446 ' HB3' ' OE1' ' B' ' 41' ' ' GLU . 5.8 ptp180 -141.13 165.65 26.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.287 -0.415 . . . . 4.8399999999999999 110.354 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -149.9 163.22 38.64 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.017 -0.735 . . . . 4.5599999999999996 109.017 174.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -105.15 125.24 50.77 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.114 -0.699 . . . . 2.4500000000000002 109.114 175.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -78.41 124.95 28.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.326 -0.397 . . . . 1.1599999999999999 110.552 -176.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -84.88 94.54 8.77 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.84 -0.618 . . . . 3.5600000000000001 109.83 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . 0.765 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 26.5 mt-10 -104.51 104.5 14.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.199 -0.455 . . . . 1.49 110.851 -178.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.559 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 48.7 m -100.52 114.07 27.39 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.736 -0.468 . . . . 1.0700000000000001 109.736 174.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -117.39 163.65 16.04 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.907 -0.588 . . . . 2.48 111.094 -172.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 83.6 m -85.2 112.53 20.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.711 -0.677 . . . . 1.73 111.157 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . 0.496 ' O ' ' HB3' ' B' ' 16' ' ' ASP . 23.0 ptt180 -114.07 129.77 56.6 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.068 -0.716 . . . . 3.4900000000000002 109.068 173.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . 60.16 78.27 0.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.164 0.507 . . . . 2.5800000000000001 110.084 -174.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 46.7 t -66.01 -11.48 48.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.695 -0.684 . . . . 2.7599999999999998 111.567 -176.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . 0.447 ' ND2' ' HA2' ' B' ' 67' ' ' GLY . 14.3 m120 -127.9 76.31 77.57 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 110.093 -0.336 . . . . 2.5899999999999999 110.093 177.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -57.34 -32.08 92.82 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 122.225 1.95 . . . . 2.5699999999999998 111.113 176.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 17.4 m -116.22 158.83 16.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.215 -0.902 . . . . 2.5299999999999998 108.827 172.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -79.8 59.86 3.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.454 0.645 . . . . 4.2000000000000002 110.721 -174.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 19.8 m -163.33 -45.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.231 -0.895 . . . . 3.8999999999999999 109.36 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.447 ' HA2' ' ND2' ' B' ' 62' ' ' ASN . . . 166.8 -123.67 1.16 Allowed Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 110.631 -0.988 . . . . 2.6000000000000001 110.631 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 79.3 m -80.68 162.37 24.2 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.985 -0.376 . . . . 1.74 109.985 174.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 46.9 mtp180 -78.46 135.33 37.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.567 -0.288 . . . . 3.9500000000000002 110.239 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 103.41 -36.19 4.51 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.918 -0.658 . . . . 1.6000000000000001 112.087 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . 0.44 HG22 ' H ' ' B' ' 73' ' ' SER . 33.8 mm -62.69 122.48 13.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 122.306 0.243 . . . . 1.6499999999999999 110.394 -178.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -61.42 -24.12 66.3 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.43 -0.35 . . . . 3.3199999999999998 111.571 -178.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.517 ' HA ' ' O ' ' B' ' 76' ' ' TRP . 19.7 m 66.03 11.14 7.55 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.553 -0.749 . . . . 4.6299999999999999 112.275 172.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -105.93 -36.01 7.12 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.509 -0.552 . . . . 3.0600000000000001 109.509 175.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -91.76 -24.18 19.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.842 -0.617 . . . . 3.5099999999999998 109.939 176.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' TRP . . . . . 0.546 ' CE3' ' HB3' ' B' ' 112' ' ' LEU . 97.8 m95 -135.14 139.95 45.04 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.622 -0.717 . . . . 3.1699999999999999 111.802 -172.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' ASN . . . . . 0.445 ' HB3' ' OG ' ' B' ' 113' ' ' SER . 8.3 t30 -97.41 135.36 39.4 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.966 -1.124 . . . . 2.7000000000000002 107.966 168.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 25.3 t -131.21 135.86 47.76 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.369 0.507 . . . . 1.9299999999999999 112.369 -166.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . 0.443 ' CZ ' HG21 ' B' ' 111' ' ' VAL . 42.3 p90 -156.93 166.8 32.34 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.437 -0.801 . . . . 3.73 108.841 170.085 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.524 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 13.0 m -105.14 140.64 38.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.789 0.328 . . . . 1.6699999999999999 111.616 -169.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.506 ' O ' HG22 ' B' ' 109' ' ' VAL . 52.5 m -132.05 135.99 46.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.986 -0.552 . . . . 2.25 109.541 178.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 16.6 m -87.78 127.9 35.32 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.848 0.356 . . . . 2.7799999999999998 110.924 -177.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 7.0 t -91.39 166.96 12.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.412 -0.358 . . . . 2.6899999999999999 110.183 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -138.7 144.12 39.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.464 -0.334 . . . . 3.71 111.522 -170.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.661 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 7.8 t -116.35 171.05 8.08 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.215 -0.661 . . . . 1.48 109.215 174.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.469 ' HA ' ' O ' ' B' ' 102' ' ' ILE . 97.4 m-85 -117.41 115.78 25.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.11 0.481 . . . . 1.75 110.604 -178.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . 0.586 HG12 HG12 ' A' ' 87' ' ' VAL . 27.3 m -112.77 148.99 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.643 -0.708 . . . . 1.0800000000000001 111.027 -176.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -75.25 111.06 10.11 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.263 -0.426 . . . . 3.8199999999999998 109.999 176.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.92 140.02 51.86 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.397 -0.365 . . . . 1.1299999999999999 110.634 178.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . 0.406 HD22 ' H ' ' B' ' 43' ' ' ASN . 26.2 tp -78.0 124.85 28.52 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.401 -0.963 . . . . 1.45 108.401 174.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' B' ' 97' ' ' ALA . 69.7 p -123.81 154.03 40.17 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 120.979 -0.288 . . . . 1.1499999999999999 110.876 -176.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 6.4 t -114.11 109.79 18.99 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.802 0.81 . . . . 1.3200000000000001 109.726 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -74.03 -52.13 13.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.319 -0.855 . . . . 2.46 110.55 -175.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -136.31 -72.78 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.248 -0.433 . . . . 3.0899999999999999 110.74 176.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -128.17 7.65 6.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.639 0.257 . . . . 3.2999999999999998 111.035 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -130.23 153.98 48.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.798 0.332 . . . . 2.7400000000000002 110.805 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' B' ' 91' ' ' THR . . . -108.5 128.23 54.62 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.798 -0.637 . . . . 1.4399999999999999 110.608 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -135.44 148.13 49.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.249 -0.432 . . . . 1.3899999999999999 110.51 -177.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 69.9 m95 -75.91 124.69 27.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.168 -0.469 . . . . 2.3500000000000001 110.939 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 55.5 mmt-85 -126.82 164.39 21.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.834 -0.621 . . . . 3.48 110.693 178.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.431 ' O ' ' HA ' ' B' ' 30' ' ' ASP . 31.0 m-85 -110.44 106.08 15.28 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 107.66 -1.237 . . . . 1.98 107.66 176.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' ILE . . . . . 0.469 ' O ' ' HA ' ' B' ' 86' ' ' PHE . 38.6 pt -111.5 144.6 19.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.218 0.532 . . . . 0.85999999999999999 111.546 -168.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . 0.661 ' HA ' ' O ' ' B' ' 85' ' ' THR . 28.8 ptt180 -79.76 123.17 27.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.875 -1.057 . . . . 3.7200000000000002 110.604 178.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 45.3 pt -121.69 143.03 35.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 116.006 -0.543 . . . . 0.82999999999999996 109.811 173.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . 0.765 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 38.5 m-20 -62.86 126.85 28.73 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.302 -0.629 . . . . 1.6899999999999999 109.302 178.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' THR . . . . . 0.552 ' O ' ' HB ' ' B' ' 56' ' ' THR . 3.5 m -116.31 -36.43 4.03 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 112.728 0.64 . . . . 2.29 112.728 -172.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -156.63 158.64 37.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.8 0.333 . . . . 1.1499999999999999 110.872 -176.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . 0.524 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 52.4 t -105.67 117.53 34.26 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.95 -0.568 . . . . 1.5600000000000001 109.582 178.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.506 HG22 ' O ' ' B' ' 81' ' ' THR . 11.9 m -104.96 158.79 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.392 -0.367 . . . . 1.0800000000000001 110.095 -178.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 42.7 t -110.03 125.2 52.67 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.823 -0.436 . . . . 1.45 109.823 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.443 HG21 ' CZ ' ' B' ' 79' ' ' TYR . 2.9 m -92.37 154.51 3.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.328 -0.397 . . . . 1.52 110.233 -178.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.546 ' HB3' ' CE3' ' B' ' 76' ' ' TRP . 95.5 mt -125.91 138.46 53.78 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.125 0.488 . . . . 1.6699999999999999 110.193 175.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.469 ' O ' ' HA ' ' B' ' 76' ' ' TRP . 2.2 p -137.37 169.89 17.01 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.691 -0.686 . . . . 2.6200000000000001 109.648 176.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 . . . . . 0 C--N 1.32 -0.699 0 N-CA-C 112.527 0.566 . . . . 6.7199999999999998 112.527 -173.388 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 109.286 -0.635 . . . . 3.6499999999999999 109.286 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.1 m -59.72 127.25 31.04 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.78 -1.1 . . . . 2.4199999999999999 111.319 -176.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.6 m -68.33 -25.68 32.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.025 -0.534 . . . . 1.4099999999999999 110.57 176.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 74.0 m -127.91 126.44 41.52 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.648 -0.871 . . . . 1.75 108.648 173.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.587 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 10.7 t70 -66.23 115.57 6.35 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.161 0.505 . . . . 2.8700000000000001 110.033 -175.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.524 ' OG ' ' HB3' ' A' ' 108' ' ' CYS . 23.8 m -113.29 146.56 39.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.803 -0.635 . . . . 1.72 111.485 -172.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 56' ' ' THR . 2.8 p -119.54 116.12 49.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.828 -0.624 . . . . 1.51 110.185 174.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.8 m -101.85 121.65 42.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.103 -0.499 . . . . 1.6599999999999999 110.839 -178.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.4 t -130.55 138.59 53.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.23 -0.441 . . . . 1.03 110.361 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -86.94 95.36 9.88 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.805 -0.813 . . . . 1.6100000000000001 108.805 171.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 64.9 t -86.87 118.72 33.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.307 -0.86 . . . . 0.95999999999999996 110.873 -173.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -108.08 11.13 37.35 Favored Glycine 0 N--CA 1.444 -0.833 0 N-CA-C 111.058 -0.817 . . . . 1.27 111.058 175.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -113.26 14.19 19.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.644 0.259 . . . . 3.02 111.036 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.507 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 81.1 tttt -77.76 101.21 6.59 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.357 -0.609 . . . . 1.3200000000000001 109.357 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.7 t -96.04 -5.05 41.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.195 -0.457 . . . . 1.8200000000000001 111.768 -172.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 1.0 OUTLIER -142.99 135.59 27.62 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.7 0.286 . . . . 1.01 111.053 178.511 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.33 166.14 27.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.215 -0.448 . . . . 0.79000000000000004 110.735 178.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.5 m -100.44 118.06 35.9 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.201 -0.454 . . . . 1.02 110.533 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -70.12 163.38 26.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.046 -0.525 . . . . 1.8500000000000001 109.673 175.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.3 tt -60.05 -26.02 34.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.937 0.399 . . . . 1.3300000000000001 111.243 -178.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -80.49 -7.44 59.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.454 -0.339 . . . . 2.2200000000000002 111.145 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.58 12.75 53.09 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.697 -0.763 . . . . 1.25 112.08 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -84.3 132.11 34.65 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.51 -0.181 . . . . 2.1400000000000001 110.51 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -82.38 114.1 20.6 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.226 -1.028 . . . . 2.1899999999999999 108.226 170.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 27' ' ' THR . 26.9 m -114.79 152.9 16.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 121.041 0.448 . . . . 1.02 111.151 -175.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.454 ' HB ' ' CG2' ' A' ' 92' ' ' THR . 23.8 m -85.44 106.43 16.79 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.338 -0.846 . . . . 1.04 109.643 178.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.507 ' HB ' ' O ' ' A' ' 25' ' ' LYS . 43.0 t -80.75 136.02 24.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.836 -0.62 . . . . 1.1000000000000001 109.915 -178.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 76.5 mt -86.84 113.97 23.1 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.958 -0.565 . . . . 1.9099999999999999 110.058 -178.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.517 ' O ' ' HA ' ' A' ' 50' ' ' ARG . . . -64.58 -37.1 86.38 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 108.808 -0.812 . . . . 2.1800000000000002 108.808 174.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.427 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 45.2 mm-40 -106.14 114.43 28.55 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.612 -1.176 . . . . 3.5899999999999999 108.212 172.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.591 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 35.6 m -100.0 135.65 34.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 C-N-CA 120.494 -0.483 . . . . 2.3999999999999999 110.741 -178.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -95.44 98.76 10.79 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.889 -0.596 . . . . 3.25 109.71 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.7 mt -115.28 96.26 4.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.281 -0.418 . . . . 2.77 110.089 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 58.91 48.37 11.15 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.849 -0.614 . . . . 3.8399999999999999 110.698 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 67.68 16.85 9.84 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.083 -0.962 . . . . 4.7599999999999998 111.433 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.2 t -113.71 114.84 26.92 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.455 -0.943 . . . . 3.3300000000000001 108.455 173.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.591 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 21.3 t -109.21 124.03 65.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.274 -0.421 . . . . 2.3700000000000001 110.816 -174.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.448 ' O ' HG22 ' A' ' 42' ' ' VAL . 35.7 p90 -157.1 167.72 29.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.637 0.256 . . . . 4.1299999999999999 110.751 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.517 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 90.7 mtm180 -87.97 128.56 35.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.201 0.524 . . . . 4.8399999999999999 110.782 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.528 HE21 HG21 ' A' ' 42' ' ' VAL . 49.9 mm-40 -77.94 -38.71 44.76 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.342 -0.844 . . . . 4.5599999999999996 112.522 -176.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 68.88 143.56 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.827 0 O-C-N 123.724 0.64 . . . . 2.46 111.405 -176.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -130.6 142.03 50.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.727 -0.669 . . . . 1.1599999999999999 110.239 176.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -85.83 94.85 9.25 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.894 0.378 . . . . 3.5600000000000001 110.431 -176.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -101.0 113.73 27.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.915 -0.584 . . . . 1.49 110.35 -178.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 90.9 m -109.65 111.86 23.59 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.61 -0.515 . . . . 1.0700000000000001 109.61 175.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -106.35 147.42 29.25 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.121 -0.49 . . . . 2.48 111.222 -173.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 36.1 m -81.9 88.7 6.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.724 -0.671 . . . . 1.73 109.487 176.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -75.8 -18.4 59.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.797 0.332 . . . . 3.48 110.825 -177.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.587 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -142.46 86.1 1.94 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.038 0.447 . . . . 2.5800000000000001 110.649 175.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.5 m -79.86 131.76 35.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.849 -0.614 . . . . 2.7599999999999998 109.718 177.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.5 m120 60.45 67.88 1.49 Allowed Pre-proline 0 N--CA 1.468 0.434 0 O-C-N 123.557 0.535 . . . . 2.5899999999999999 110.206 -175.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.07 -33.2 91.98 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.586 2.191 . . . . 2.5699999999999998 112.198 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.5 m -98.22 154.6 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.119 -0.492 . . . . 2.5299999999999998 109.897 177.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -81.56 70.76 8.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.384 0.611 . . . . 4.1900000000000004 110.063 -178.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.6 p -174.76 -70.59 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.979 -1.01 . . . . 3.8999999999999999 109.43 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.21 -91.17 0.08 OUTLIER Glycine 0 N--CA 1.443 -0.852 0 CA-C-N 115.733 -0.667 . . . . 2.6000000000000001 111.647 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 97.0 m -134.54 157.21 47.12 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.825 0.345 . . . . 1.73 110.783 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -62.08 114.2 3.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.458 -0.792 . . . . 3.9399999999999999 111.078 -177.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 99.78 -22.47 40.25 Favored Glycine 0 N--CA 1.454 -0.139 0 C-N-CA 120.777 -0.725 . . . . 1.6100000000000001 112.984 175.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 36.6 mm -77.52 138.43 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.791 0.329 . . . . 1.6499999999999999 111.393 -177.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -71.37 95.93 1.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.04 -0.726 . . . . 3.3199999999999998 109.04 171.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.2 t -83.47 13.46 4.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.206 -0.452 . . . . 4.6299999999999999 111.083 -174.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -95.72 -41.89 8.65 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.038 0.447 . . . . 3.0600000000000001 109.977 177.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -95.79 -17.79 20.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.892 -0.595 . . . . 3.5099999999999998 110.514 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -123.41 144.41 49.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.964 -0.562 . . . . 3.1699999999999999 111.149 -177.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.422 ' HB3' ' HB3' ' A' ' 113' ' ' SER . 31.1 t30 -100.45 134.71 43.0 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.824 -1.176 . . . . 2.6899999999999999 107.824 169.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.628 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 4.9 m -129.38 134.16 47.73 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.802 0.334 . . . . 1.9299999999999999 111.254 -173.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -149.22 147.03 27.92 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.039 -0.528 . . . . 3.73 110.277 175.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 31.9 m -88.13 124.37 33.73 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.312 -0.858 . . . . 1.6699999999999999 110.369 -174.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 33.1 m -131.93 134.77 46.04 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.585 -0.734 . . . . 2.2400000000000002 109.425 -178.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.443 ' HB ' ' HB3' ' A' ' 105' ' ' ASP . 15.3 p -78.34 137.65 38.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.919 0.39 . . . . 2.7799999999999998 111.218 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.1 p -86.57 122.72 30.89 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 109.743 -0.466 . . . . 2.6899999999999999 109.743 176.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.528 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 18.5 p-80 -104.85 121.93 44.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.131 -0.486 . . . . 3.71 110.411 -177.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.582 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 7.4 t -112.62 160.86 17.45 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.815 -0.809 . . . . 1.48 108.815 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.406 ' CE1' ' HB3' ' A' ' 103' ' ' ARG . 97.7 m-85 -102.89 117.87 35.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.059 0.456 . . . . 1.75 110.621 -175.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.5 m -109.96 153.39 11.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.508 -0.769 . . . . 1.0800000000000001 110.384 -177.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -91.56 105.33 17.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.466 -0.788 . . . . 3.8199999999999998 109.461 -176.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.38 144.15 51.1 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.068 0.461 . . . . 1.1299999999999999 111.708 -174.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 26.8 tp -76.86 104.43 7.35 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.334 -0.617 . . . . 1.45 109.334 175.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.419 HG22 ' HA ' ' A' ' 38' ' ' VAL . 58.0 p -121.09 154.8 35.66 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.909 -0.587 . . . . 1.1399999999999999 109.452 -178.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.454 ' CG2' ' HB ' ' A' ' 37' ' ' THR . 10.6 t -96.06 121.88 38.29 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 119.785 -0.766 . . . . 1.3200000000000001 109.757 178.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -65.45 -26.59 68.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.755 -1.111 . . . . 2.4700000000000002 109.844 -178.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -176.37 -64.31 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.801 -1.185 . . . . 3.0899999999999999 107.801 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -137.13 30.65 2.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.561 0.696 . . . . 3.29 109.418 172.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -144.12 117.94 9.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.143 -0.935 . . . . 2.7400000000000002 109.857 -176.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.61 125.57 29.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.32 -0.4 . . . . 1.4399999999999999 110.897 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.41 150.03 38.49 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.011 -0.541 . . . . 1.3799999999999999 110.043 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -79.58 100.55 7.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.978 0.418 . . . . 2.3500000000000001 110.215 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -100.24 169.0 9.43 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.833 -0.621 . . . . 3.48 110.15 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -106.77 101.5 10.94 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.748 -0.834 . . . . 1.98 108.748 178.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 40.0 pt -112.29 142.63 24.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.168 0.508 . . . . 0.85999999999999999 110.702 -172.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.582 ' HA ' ' O ' ' A' ' 85' ' ' THR . 7.5 ppt_? -82.78 132.02 35.18 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.727 -0.67 . . . . 3.71 110.985 -177.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.528 ' O ' ' HA ' ' A' ' 84' ' ' HIS . 47.5 pt -123.0 145.89 29.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.444 -0.798 . . . . 0.82999999999999996 109.064 172.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.443 ' HB3' ' HB ' ' A' ' 82' ' ' THR . 17.2 m-20 -85.11 97.22 9.75 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.694 -0.854 . . . . 1.6899999999999999 108.694 178.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.8 t -91.73 -13.76 31.1 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.908 -0.587 . . . . 2.29 112.236 -167.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -158.41 164.14 36.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.575 0.226 . . . . 1.1399999999999999 110.839 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.524 ' HB3' ' OG ' ' A' ' 17' ' ' SER . 44.5 t -122.49 115.82 22.87 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.315 -0.624 . . . . 1.5600000000000001 109.315 177.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 19.9 m -117.89 153.3 19.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.948 0.404 . . . . 1.0700000000000001 111.007 -174.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.628 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 41.9 t -94.66 114.8 26.79 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.942 -0.762 . . . . 1.45 108.942 173.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 34.4 m -96.16 142.47 13.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 C-N-CA 120.569 -0.452 . . . . 1.52 109.92 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' B' ' 12' ' ' PHE . 58.9 mt -102.36 139.53 37.85 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.247 0.546 . . . . 1.6699999999999999 110.661 -177.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.422 ' HB3' ' HB3' ' A' ' 77' ' ' ASN . 8.8 t -125.14 144.56 50.37 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 108.416 -0.957 . . . . 2.6200000000000001 108.416 173.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 116.529 -0.305 . . . . 6.7300000000000004 111.256 -175.198 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . 0.415 ' HB2' ' O ' ' A' ' 112' ' ' LEU . 44.9 m-85 . . . . . 0 N--CA 1.45 -0.45 0 CA-C-O 121.523 0.677 . . . . 3.6499999999999999 109.265 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 15.9 m -59.03 127.33 31.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.75 -1.114 . . . . 2.4199999999999999 111.329 -176.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 28.9 m -68.55 -25.69 31.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.998 -0.546 . . . . 1.4099999999999999 110.509 176.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 75.1 m -127.91 126.68 41.97 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.745 -0.835 . . . . 1.75 108.745 173.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . 0.587 ' HB3' ' HB3' ' B' ' 60' ' ' ALA . 9.1 t70 -66.43 115.46 6.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.084 0.469 . . . . 2.8700000000000001 109.974 -175.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . 0.522 ' OG ' ' HB3' ' B' ' 108' ' ' CYS . 23.1 m -113.31 146.3 39.64 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.76 -0.655 . . . . 1.72 111.495 -172.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' B' ' 56' ' ' THR . 2.8 p -119.5 115.79 48.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.916 -0.584 . . . . 1.51 110.22 174.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.1 m -101.58 122.01 43.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.064 -0.517 . . . . 1.6599999999999999 110.792 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 62.0 t -130.74 138.63 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.066 -0.515 . . . . 1.03 110.418 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -87.0 95.38 9.91 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.79 -0.819 . . . . 1.6100000000000001 108.79 171.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 65.9 t -86.87 118.82 33.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.433 -0.803 . . . . 0.95999999999999996 110.877 -173.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.91 10.78 37.77 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 111.141 -0.784 . . . . 1.27 111.141 175.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -113.33 14.33 19.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 3.0099999999999998 110.894 -178.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.494 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 81.0 tttt -77.69 101.29 6.55 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.378 -0.601 . . . . 1.3200000000000001 109.378 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 9.6 t -96.2 -5.37 40.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.296 -0.411 . . . . 1.8200000000000001 111.828 -172.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' B' ' 36' ' ' VAL . 1.2 p -142.48 135.81 28.78 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.795 0.331 . . . . 1.0 111.077 178.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.18 166.23 26.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.278 -0.419 . . . . 0.79000000000000004 110.772 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 3.6 m -100.52 117.96 35.74 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.152 -0.476 . . . . 1.01 110.417 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -70.07 163.4 26.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.112 -0.495 . . . . 1.8400000000000001 109.669 175.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.3 tt -59.86 -25.76 33.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.003 0.43 . . . . 1.3300000000000001 111.417 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -80.53 -7.97 59.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.365 -0.379 . . . . 2.2200000000000002 111.19 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.9 12.57 52.46 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.849 -0.691 . . . . 1.25 112.205 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -83.94 132.27 34.78 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.579 -0.156 . . . . 2.1400000000000001 110.579 -179.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -82.73 113.77 20.62 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.296 -1.002 . . . . 2.1899999999999999 108.296 170.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' B' ' 27' ' ' THR . 27.1 m -114.58 152.87 16.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 116.211 -0.449 . . . . 1.01 111.154 -175.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . 0.457 ' HB ' ' CG2' ' B' ' 92' ' ' THR . 25.9 m -85.34 106.57 16.82 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.271 -0.877 . . . . 1.04 109.552 178.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.494 ' HB ' ' O ' ' B' ' 25' ' ' LYS . 42.7 t -80.66 135.96 24.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 115.849 -0.614 . . . . 1.1000000000000001 109.892 -178.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 76.6 mt -86.78 114.04 23.11 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.039 -0.528 . . . . 1.9099999999999999 110.105 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.525 ' O ' ' HA ' ' B' ' 50' ' ' ARG . . . -64.5 -37.18 86.66 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 108.766 -0.827 . . . . 2.1800000000000002 108.766 174.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.418 ' HB3' ' CG1' ' B' ' 48' ' ' VAL . 42.2 mm-40 -106.2 114.41 28.53 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.639 -1.164 . . . . 3.5899999999999999 108.334 172.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.601 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 35.4 m -99.75 135.72 34.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 120.984 0.421 . . . . 2.3900000000000001 110.74 -178.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -95.57 98.76 10.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.961 -0.563 . . . . 3.25 109.615 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 66.6 mt -115.19 96.12 4.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.227 -0.442 . . . . 2.77 110.099 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . 0.415 ' N ' HD22 ' B' ' 45' ' ' ASN . 0.9 OUTLIER 59.01 48.66 10.52 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.681 -0.69 . . . . 3.8399999999999999 110.523 179.377 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 67.51 16.73 9.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.202 -0.908 . . . . 4.7599999999999998 111.447 178.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 14.3 t -113.59 115.02 27.27 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.451 -0.944 . . . . 3.3300000000000001 108.451 173.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.601 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 20.2 t -109.63 123.34 65.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.251 -0.431 . . . . 2.3799999999999999 110.882 -174.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . 0.459 ' O ' HG22 ' B' ' 42' ' ' VAL . 36.0 p90 -156.51 167.75 29.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.496 -0.32 . . . . 4.1299999999999999 110.787 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.525 ' HA ' ' O ' ' B' ' 40' ' ' ALA . 90.5 mtm180 -88.05 128.5 35.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 4.8399999999999999 110.871 -179.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.528 HE21 HG21 ' B' ' 42' ' ' VAL . 49.9 mm-40 -77.88 -38.52 45.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.543 -0.753 . . . . 4.5599999999999996 112.638 -176.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 68.81 143.5 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.636 0 O-C-N 123.658 0.599 . . . . 2.4500000000000002 111.317 -176.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -130.63 142.04 50.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.726 -0.67 . . . . 1.1599999999999999 110.128 176.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -85.81 94.97 9.27 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.963 0.411 . . . . 3.5600000000000001 110.316 -176.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -101.2 113.22 26.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.897 -0.592 . . . . 1.49 110.339 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 91.5 m -108.98 112.1 24.13 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.69 -0.485 . . . . 1.0700000000000001 109.69 175.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -106.56 147.07 29.88 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.171 -0.468 . . . . 2.48 111.187 -173.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 36.0 m -81.29 89.08 6.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.632 -0.713 . . . . 1.73 109.449 176.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -76.03 -18.79 59.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.644 0.259 . . . . 3.4900000000000002 110.743 -177.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . 0.587 ' HB3' ' HB3' ' B' ' 16' ' ' ASP . . . -142.46 86.34 1.95 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.286 -0.416 . . . . 2.5800000000000001 110.517 175.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 16.4 m -79.98 132.24 35.98 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.872 -0.604 . . . . 2.7599999999999998 109.637 177.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 16.7 m120 60.14 67.87 1.57 Allowed Pre-proline 0 N--CA 1.467 0.392 0 O-C-N 123.445 0.466 . . . . 2.5899999999999999 110.44 -174.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -61.51 -32.29 88.09 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.608 2.206 . . . . 2.5699999999999998 112.234 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 24.0 m -98.96 154.6 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.128 -0.487 . . . . 2.5299999999999998 109.887 177.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -81.41 70.17 8.21 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.371 0.605 . . . . 4.2000000000000002 110.283 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 13.8 p -174.18 -70.01 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.055 -0.975 . . . . 3.8999999999999999 109.466 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.87 -91.08 0.08 OUTLIER Glycine 0 N--CA 1.442 -0.965 0 CA-C-N 115.493 -0.776 . . . . 2.6000000000000001 111.68 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 96.6 m -134.64 157.21 47.2 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.742 0.306 . . . . 1.74 110.8 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -61.98 114.09 3.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.591 -0.731 . . . . 3.9500000000000002 111.105 -177.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 99.78 -22.32 40.95 Favored Glycine 0 N--CA 1.454 -0.137 0 C-N-CA 120.671 -0.776 . . . . 1.6000000000000001 113.046 175.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 36.9 mm -77.7 138.1 21.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.721 0.296 . . . . 1.6499999999999999 111.264 -177.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -71.1 95.81 1.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.053 -0.721 . . . . 3.3199999999999998 109.053 171.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 12.4 t -83.54 13.89 4.19 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.166 -0.47 . . . . 4.6299999999999999 110.999 -174.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -96.31 -41.87 8.43 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.87 -0.418 . . . . 3.0600000000000001 109.87 177.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -95.65 -17.88 20.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.925 -0.579 . . . . 3.5099999999999998 110.558 177.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -123.65 144.12 49.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.952 -0.567 . . . . 3.1699999999999999 111.113 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' ASN . . . . . 0.407 ' HB3' ' HB3' ' B' ' 113' ' ' SER . 29.9 t30 -100.06 134.6 42.73 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 107.816 -1.179 . . . . 2.7000000000000002 107.816 169.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.632 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 5.1 m -129.2 134.41 47.99 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 120.846 0.355 . . . . 1.9299999999999999 111.113 -173.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -149.38 147.08 27.87 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 116.071 -0.513 . . . . 3.73 110.252 175.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 32.8 m -88.36 124.17 33.65 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.403 -0.817 . . . . 1.6699999999999999 110.525 -173.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 34.6 m -131.8 135.04 46.45 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.57 -0.741 . . . . 2.25 109.337 -178.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.472 ' HB ' ' HB3' ' B' ' 105' ' ' ASP . 13.9 p -78.48 137.81 38.13 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.845 0.355 . . . . 2.7799999999999998 111.139 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 20.5 p -86.58 122.53 30.63 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 109.766 -0.457 . . . . 2.6899999999999999 109.766 176.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' HIS . . . . . 0.51 ' HA ' ' O ' ' B' ' 104' ' ' ILE . 18.7 p-80 -104.57 121.89 44.45 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.099 -0.501 . . . . 3.71 110.521 -178.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.595 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 7.2 t -112.55 160.88 17.38 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.865 -0.791 . . . . 1.48 108.865 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.406 ' CE1' ' HB3' ' B' ' 103' ' ' ARG . 97.5 m-85 -102.91 117.91 35.65 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.988 0.423 . . . . 1.75 110.477 -175.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 27.6 m -110.02 153.36 11.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.625 -0.716 . . . . 1.0800000000000001 110.287 -177.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -91.63 105.19 17.55 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.401 -0.818 . . . . 3.8199999999999998 109.434 -176.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.33 144.19 51.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.964 0.411 . . . . 1.1299999999999999 111.706 -174.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 27.0 tp -76.91 104.46 7.42 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.313 -0.625 . . . . 1.45 109.313 175.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' THR . . . . . 0.427 HG22 ' HA ' ' B' ' 38' ' ' VAL . 60.1 p -121.21 154.79 35.81 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.854 -0.612 . . . . 1.1499999999999999 109.401 -178.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . 0.457 ' CG2' ' HB ' ' B' ' 37' ' ' THR . 10.8 t -96.03 121.78 38.16 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 119.885 -0.726 . . . . 1.3200000000000001 109.645 179.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.58 -26.54 67.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.784 -1.098 . . . . 2.46 109.941 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -176.35 -64.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 107.894 -1.15 . . . . 3.0899999999999999 107.894 179.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -137.29 30.93 2.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.662 0.744 . . . . 3.2999999999999998 109.243 171.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -144.03 118.12 9.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.077 -0.965 . . . . 2.7400000000000002 109.905 -175.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.94 125.67 30.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.352 -0.385 . . . . 1.4399999999999999 110.633 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.72 149.56 37.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.804 -0.634 . . . . 1.3899999999999999 110.201 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -79.11 100.63 7.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.034 0.445 . . . . 2.3500000000000001 110.387 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -100.42 168.84 9.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.833 -0.621 . . . . 3.48 110.071 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -106.65 101.43 10.88 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.699 -0.852 . . . . 1.98 108.699 178.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 40.4 pt -112.22 142.61 24.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.196 0.522 . . . . 0.85999999999999999 110.845 -172.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . 0.595 ' HA ' ' O ' ' B' ' 85' ' ' THR . 7.5 ppt_? -82.8 131.95 35.18 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.712 -0.676 . . . . 3.7200000000000002 110.866 -177.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' ILE . . . . . 0.51 ' O ' ' HA ' ' B' ' 84' ' ' HIS . 47.8 pt -122.97 145.84 29.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.242 -0.89 . . . . 0.82999999999999996 109.031 172.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . 0.472 ' HB3' ' HB ' ' B' ' 82' ' ' THR . 16.6 m-20 -85.39 97.4 9.97 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.735 -0.839 . . . . 1.6899999999999999 108.735 178.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 10.2 t -91.88 -13.72 30.83 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.781 -0.645 . . . . 2.29 112.104 -167.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -158.17 164.4 36.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.544 0.211 . . . . 1.1499999999999999 110.873 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . 0.522 ' HB3' ' OG ' ' B' ' 17' ' ' SER . 44.4 t -122.74 115.77 22.61 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.278 -0.638 . . . . 1.5600000000000001 109.278 177.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 19.7 m -117.86 153.4 19.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.88 0.371 . . . . 1.0800000000000001 110.928 -174.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.632 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 41.5 t -94.86 114.95 26.87 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.924 -0.769 . . . . 1.45 108.924 173.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 34.7 m -96.24 142.44 13.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.784 -0.45 . . . . 1.52 109.784 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 58.6 mt -102.35 139.5 37.87 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.221 0.534 . . . . 1.6699999999999999 110.697 -177.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.407 ' HB3' ' HB3' ' B' ' 77' ' ' ASN . 8.7 t -125.02 144.42 50.4 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 108.523 -0.917 . . . . 2.6200000000000001 108.523 173.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 . . . . . 0 C--N 1.321 -0.639 0 CA-C-N 116.546 -0.297 . . . . 6.7199999999999998 111.353 -175.123 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 N--CA 1.451 -0.384 0 CA-C-O 121.01 0.434 . . . . 3.6499999999999999 109.844 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.9 p -77.46 144.18 37.98 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.986 -0.552 . . . . 2.4199999999999999 110.329 -178.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.3 m -61.91 -20.32 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-N 115.928 -0.578 . . . . 1.4099999999999999 111.709 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.488 ' HB2' ' SG ' ' A' ' 110' ' ' CYS . 28.7 t -142.78 150.3 39.83 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.9 -0.778 . . . . 1.75 108.9 177.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -82.06 138.97 34.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.146 0.498 . . . . 2.8700000000000001 110.811 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.0 p -138.46 150.91 46.92 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.955 -0.566 . . . . 1.72 111.113 -175.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.522 ' HB ' ' NE ' ' A' ' 59' ' ' ARG . 4.6 p -123.5 118.29 53.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.05 -0.523 . . . . 1.51 110.441 176.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.5 m -93.95 124.34 37.9 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.234 -0.439 . . . . 1.6599999999999999 110.454 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 67.9 t -119.67 137.84 52.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.225 -0.443 . . . . 1.03 110.729 -177.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.428 ' HA ' ' O ' ' A' ' 53' ' ' PHE . 95.3 m95 -96.63 96.63 8.77 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.219 -0.66 . . . . 1.6100000000000001 109.219 173.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.4 t -77.48 121.04 29.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.728 -0.669 . . . . 0.95999999999999996 109.975 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.11 8.03 33.11 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.509 -0.853 . . . . 1.27 112.452 -178.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -148.18 47.18 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 3.02 110.964 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -71.89 131.78 43.48 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.357 -0.608 . . . . 1.3200000000000001 109.357 177.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.6 t -103.77 -34.17 8.66 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.162 0.43 . . . . 1.8200000000000001 112.162 -172.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.0 p -140.66 148.03 40.2 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.009 -0.432 . . . . 1.01 111.587 -177.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -149.16 170.52 18.24 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.827 -0.624 . . . . 0.79000000000000004 110.209 175.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.6 m -108.71 119.34 39.24 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.053 -0.522 . . . . 1.02 110.29 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.484 ' OD1' ' HB3' ' A' ' 100' ' ' ARG . 19.6 t70 -68.59 159.78 31.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.5 -0.773 . . . . 1.8500000000000001 109.677 177.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.0 tt -58.87 -21.39 19.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 122.722 0.409 . . . . 1.3300000000000001 111.566 -178.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -82.9 -9.6 59.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.909 0.385 . . . . 2.2200000000000002 111.032 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.29 16.86 36.17 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.827 -0.701 . . . . 1.25 112.501 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -94.05 140.81 29.26 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.583 0.23 . . . . 2.1400000000000001 110.809 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -85.84 115.27 23.37 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.103 -0.703 . . . . 2.1899999999999999 109.103 173.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -117.9 150.96 19.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 116.076 -0.511 . . . . 1.02 111.125 -175.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.468 ' HB ' ' CG2' ' A' ' 92' ' ' THR . 17.8 m -83.37 118.32 23.62 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 115.539 -0.755 . . . . 1.04 109.493 178.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.468 ' HA ' HG22 ' A' ' 91' ' ' THR . 97.5 t -82.61 135.7 24.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.119 -0.491 . . . . 1.1000000000000001 110.681 -175.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 66.1 mt -104.56 105.67 15.86 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 109.345 -0.613 . . . . 1.9099999999999999 109.345 178.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.54 -28.41 69.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.531 0.681 . . . . 2.1800000000000002 109.825 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.416 ' HG2' ' HG2' ' A' ' 50' ' ' ARG . 37.5 mt-10 -106.64 126.19 51.96 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.886 -1.052 . . . . 3.5899999999999999 108.871 174.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.2 m -88.85 122.7 40.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 121.461 0.648 . . . . 2.3999999999999999 110.363 -176.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -86.88 98.34 11.16 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.295 -0.866 . . . . 3.25 110.131 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.428 ' HB ' ' HB2' ' A' ' 47' ' ' SER . 77.6 mt -117.06 148.31 19.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 108.222 -1.029 . . . . 2.77 108.222 176.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -58.47 108.93 0.69 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.749 0.309 . . . . 3.8399999999999999 110.692 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.19 28.39 3.06 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.198 -0.91 . . . . 4.7599999999999998 110.896 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.428 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 67.7 m -157.76 114.29 2.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.892 0.377 . . . . 3.3300000000000001 110.76 175.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 52.1 t -132.36 115.78 26.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 2.3700000000000001 109.923 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -149.38 157.5 43.37 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.736 0.303 . . . . 4.1299999999999999 111.039 -178.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.416 ' HG2' ' HG2' ' A' ' 41' ' ' GLU . 62.3 mtp180 -84.95 124.94 32.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.802 -0.636 . . . . 4.8399999999999999 111.005 -176.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.496 ' HB3' ' HD2' ' B' ' 88' ' ' LYS . 15.9 mm100 -112.61 100.84 9.04 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.66 -0.7 . . . . 4.5599999999999996 109.887 179.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -67.98 167.7 13.28 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.253 -0.431 . . . . 2.46 111.545 -173.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.428 ' O ' ' HA ' ' A' ' 21' ' ' TRP . 80.0 m-85 -124.76 136.73 54.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.958 -0.564 . . . . 1.1599999999999999 110.806 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -94.11 101.59 13.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.313 -0.403 . . . . 3.5600000000000001 110.101 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -121.04 121.87 38.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.933 0.396 . . . . 1.49 110.536 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.2 m -106.82 127.95 53.84 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.002 -0.545 . . . . 1.0700000000000001 110.516 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -112.24 157.84 20.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.201 -0.454 . . . . 2.48 110.3 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.453 ' SG ' HG23 ' A' ' 82' ' ' THR . 70.6 m -79.39 125.15 29.16 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.239 -0.437 . . . . 1.73 110.363 179.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.522 ' NE ' ' HB ' ' A' ' 18' ' ' VAL . 87.3 mtt180 -81.51 88.68 6.16 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.936 -0.394 . . . . 3.48 109.936 176.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 60.28 86.91 0.09 Allowed 'General case' 0 C--O 1.233 0.201 0 O-C-N 123.87 0.731 . . . . 2.5800000000000001 110.308 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.6 m -52.69 135.79 34.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.662 -0.699 . . . . 2.7599999999999998 111.546 -176.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 70.97 81.46 0.18 Allowed Pre-proline 0 C--O 1.234 0.258 0 CA-C-N 115.375 -0.83 . . . . 2.5899999999999999 110.312 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.51 -27.08 81.63 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.007 2.471 . . . . 2.5699999999999998 112.95 -177.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 36.0 m -117.78 159.49 17.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.829 0.347 . . . . 2.5299999999999998 110.113 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -70.43 -8.93 54.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 4.1900000000000004 111.687 -173.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.42 ' HB3' ' HB3' ' A' ' 73' ' ' SER . 19.7 m -105.26 16.08 26.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.029 0.442 . . . . 3.8999999999999999 110.591 177.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.97 -106.33 2.57 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.837 -0.697 . . . . 2.6000000000000001 111.886 178.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 85.2 m -110.62 145.83 37.22 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.969 0.414 . . . . 1.73 110.387 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 45.2 ttm180 -67.5 119.2 11.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.663 -0.699 . . . . 3.9399999999999999 111.185 -173.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 111.89 -27.18 10.59 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.719 -0.753 . . . . 1.6100000000000001 112.575 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.9 mm -74.67 134.43 29.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.812 0.339 . . . . 1.6499999999999999 111.325 -177.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -70.28 115.03 9.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 3.3199999999999998 109.801 175.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.42 ' HB3' ' HB3' ' A' ' 66' ' ' SER . 4.8 p -85.79 6.46 27.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.102 -0.499 . . . . 4.6299999999999999 112.204 -173.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -96.14 -44.06 7.47 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.777 0.322 . . . . 3.0600000000000001 110.21 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -90.96 -30.34 16.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.983 -0.553 . . . . 3.5099999999999998 110.741 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.466 ' CE3' ' HB3' ' A' ' 112' ' ' LEU . 98.8 m95 -127.85 156.4 42.61 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.916 -0.584 . . . . 3.1699999999999999 110.774 -177.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.539 ' OD1' ' HB3' ' A' ' 113' ' ' SER . 3.0 p-10 -125.28 141.3 52.16 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 107.782 -1.192 . . . . 2.6899999999999999 107.782 165.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.54 ' HA ' ' O ' ' A' ' 111' ' ' VAL . 8.4 t -134.75 144.39 47.68 Favored 'General case' 0 C--N 1.315 -0.904 0 C-N-CA 120.676 -0.41 . . . . 1.9299999999999999 110.639 -174.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -144.39 150.35 37.59 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.775 -0.648 . . . . 3.73 110.19 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.703 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 44.5 m -79.59 121.34 25.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.28 -0.873 . . . . 1.6699999999999999 110.842 -176.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 46.6 m -131.25 131.04 43.62 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.884 -0.598 . . . . 2.2400000000000002 109.793 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.465 ' HB ' ' HB3' ' A' ' 105' ' ' ASP . 6.3 p -73.98 121.24 20.72 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 121.007 0.432 . . . . 2.7799999999999998 110.917 177.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.4 t -79.1 138.97 38.17 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 121.256 0.551 . . . . 2.6899999999999999 110.083 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -103.49 126.65 50.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.562 -0.745 . . . . 3.71 109.969 -173.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.496 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 13.8 t -117.35 158.03 25.12 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.007 -0.738 . . . . 1.48 109.007 177.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.429 ' HB3' ' HB3' ' A' ' 101' ' ' PHE . 86.9 m-85 -104.66 115.98 31.27 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.919 -0.401 . . . . 1.75 109.919 -177.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' A' ' 101' ' ' PHE . 17.3 m -111.17 147.22 15.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.313 0.578 . . . . 1.0800000000000001 111.562 -176.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.492 ' HD2' ' HB3' ' B' ' 51' ' ' GLN . 36.8 pttt -80.55 100.89 8.82 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.726 -1.125 . . . . 3.8199999999999998 110.855 -179.277 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.62 148.27 50.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.715 -0.675 . . . . 1.1299999999999999 110.71 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.6 tp -75.38 112.0 11.25 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.474 -0.565 . . . . 1.45 109.474 176.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.468 HG22 ' HA ' ' A' ' 38' ' ' VAL . 73.7 p -129.06 159.75 34.96 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.165 -0.47 . . . . 1.1399999999999999 109.953 -178.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.468 ' CG2' ' HB ' ' A' ' 37' ' ' THR . 9.6 t -121.13 122.12 39.33 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.231 0.539 . . . . 1.3200000000000001 109.947 176.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -80.18 -22.06 42.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.799 -0.637 . . . . 2.4700000000000002 110.586 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -163.33 -67.15 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.913 -0.585 . . . . 3.0899999999999999 110.225 -178.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -121.03 -54.13 2.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.997 0.427 . . . . 3.29 111.266 -177.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -78.61 151.25 32.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.15 -0.477 . . . . 2.7400000000000002 111.265 -175.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.5 127.95 49.33 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.622 -0.717 . . . . 1.4399999999999999 109.759 176.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -136.48 147.26 47.07 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.783 0.325 . . . . 1.3799999999999999 110.942 -177.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -78.05 94.57 4.68 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.599 -0.519 . . . . 2.3500000000000001 109.599 177.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.484 ' HB3' ' OD1' ' A' ' 30' ' ' ASP . 13.9 mmm180 -104.95 161.57 14.09 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.322 -0.854 . . . . 3.48 110.298 -174.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.49 ' HA ' ' O ' ' A' ' 87' ' ' VAL . 90.4 m-85 -98.85 110.2 22.84 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.635 -0.505 . . . . 1.98 109.635 176.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 28.7 pt -113.33 147.1 17.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.06 -0.518 . . . . 0.85999999999999999 110.904 -174.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.496 ' HA ' ' O ' ' A' ' 85' ' ' THR . 1.3 ptm180 -78.39 115.31 18.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.439 0.638 . . . . 3.71 111.617 -178.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 45.0 pt -116.06 150.1 18.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 109.163 -0.68 . . . . 0.82999999999999996 109.163 170.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.465 ' HB3' ' HB ' ' A' ' 82' ' ' THR . 5.5 m-20 -84.28 107.33 16.52 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.917 -0.771 . . . . 1.6899999999999999 108.917 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.7 t -94.16 -25.05 17.28 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.539 0.57 . . . . 2.29 112.539 -168.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.43 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -158.76 160.54 36.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.636 0.255 . . . . 1.1399999999999999 110.957 -176.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.703 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 51.0 t -107.73 115.14 29.6 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.108 -0.701 . . . . 1.5600000000000001 109.108 178.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 24.6 m -116.01 146.42 20.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.893 0.378 . . . . 1.0700000000000001 111.033 -174.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.488 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 69.5 m -89.3 112.4 23.46 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.15 -0.477 . . . . 1.45 109.978 175.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.54 ' O ' ' HA ' ' A' ' 78' ' ' SER . 27.0 m -89.59 144.76 8.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.106 -0.497 . . . . 1.52 110.308 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.466 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . 84.3 mt -106.49 139.18 41.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.944 0.402 . . . . 1.6699999999999999 111.256 -178.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.539 ' HB3' ' OD1' ' A' ' 77' ' ' ASN . 20.3 t -132.22 146.59 52.11 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.875 -0.602 . . . . 2.6200000000000001 109.387 173.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.441 ' O ' ' HG3' ' A' ' 114' ' ' ARG . 20.6 tpp180 . . . . . 0 CA--C 1.537 0.457 0 CA-C-N 116.08 -0.509 . . . . 6.7300000000000004 111.523 -174.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 109.747 -0.464 . . . . 3.6499999999999999 109.747 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 41.7 p -77.54 144.04 37.93 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.039 -0.528 . . . . 2.4199999999999999 110.305 -178.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.5 m -61.75 -20.06 22.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 115.911 -0.586 . . . . 1.4099999999999999 111.897 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.486 ' HB2' ' SG ' ' B' ' 110' ' ' CYS . 28.1 t -142.94 150.48 39.8 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.874 -0.787 . . . . 1.75 108.874 177.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -82.61 138.96 34.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.143 0.497 . . . . 2.8700000000000001 110.789 -179.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 28.4 p -138.61 150.75 46.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.902 -0.59 . . . . 1.72 111.11 -175.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.514 ' HB ' ' NE ' ' B' ' 59' ' ' ARG . 4.4 p -123.42 117.99 53.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.046 -0.525 . . . . 1.51 110.456 176.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 50.5 m -93.57 124.37 37.52 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.236 -0.438 . . . . 1.6599999999999999 110.519 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 69.4 t -119.54 137.92 51.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.269 -0.423 . . . . 1.03 110.682 -177.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . 0.443 ' HA ' ' O ' ' B' ' 53' ' ' PHE . 95.3 m95 -96.78 96.46 8.59 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.279 -0.637 . . . . 1.6100000000000001 109.279 173.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 48.0 t -77.1 121.31 29.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.578 -0.737 . . . . 0.95999999999999996 110.048 -178.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.53 8.02 32.26 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.525 -0.845 . . . . 1.27 112.444 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -147.98 46.67 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 3.0099999999999998 111.065 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -71.31 132.06 44.34 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.275 -0.639 . . . . 1.3200000000000001 109.275 177.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 14.1 t -104.1 -33.79 8.63 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.173 0.435 . . . . 1.8200000000000001 112.173 -172.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.7 p -141.07 148.49 40.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.922 0.391 . . . . 1.0 111.45 -178.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -149.52 170.17 19.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.788 -0.642 . . . . 0.79000000000000004 110.273 175.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 31.2 m -108.05 119.43 39.45 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.171 -0.468 . . . . 1.01 110.336 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . 0.483 ' OD1' ' HB3' ' B' ' 100' ' ' ARG . 19.1 t70 -68.65 159.71 31.57 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.483 -0.78 . . . . 1.8400000000000001 109.659 177.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 16.0 tt -58.94 -21.14 18.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-N 116.335 -0.393 . . . . 1.3300000000000001 111.679 -178.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -83.14 -9.35 59.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.401 -0.363 . . . . 2.2200000000000002 110.978 178.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.99 16.96 36.6 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.798 -0.715 . . . . 1.25 112.478 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -94.22 140.23 30.03 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.509 0.195 . . . . 2.1400000000000001 110.856 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -85.17 115.45 22.97 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.012 -0.736 . . . . 2.1899999999999999 109.012 173.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -118.09 150.97 20.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 116.14 -0.482 . . . . 1.01 111.08 -175.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . 0.468 ' HB ' HG23 ' B' ' 92' ' ' THR . 16.1 m -82.8 118.36 23.34 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.391 -0.822 . . . . 1.04 109.533 178.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.467 ' HA ' HG22 ' B' ' 91' ' ' THR . 98.3 t -82.66 135.99 23.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 116.098 -0.501 . . . . 1.1000000000000001 110.563 -176.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 65.5 mt -104.77 105.75 15.96 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.38 -0.6 . . . . 1.9099999999999999 109.38 177.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.49 -28.46 69.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.452 0.644 . . . . 2.1800000000000002 109.819 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.421 ' HG2' ' HG2' ' B' ' 50' ' ' ARG . 37.8 mt-10 -106.58 126.41 52.23 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.998 -1.001 . . . . 3.5899999999999999 108.674 174.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 28.0 m -88.97 122.44 40.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-O 121.45 0.643 . . . . 2.3900000000000001 110.453 -176.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -86.74 98.29 11.07 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.297 -0.865 . . . . 3.25 110.136 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.426 ' HB ' ' HB2' ' B' ' 47' ' ' SER . 77.4 mt -116.82 148.67 19.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 108.249 -1.019 . . . . 2.77 108.249 176.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -58.53 109.35 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.666 0.27 . . . . 3.8399999999999999 110.609 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 70.49 28.35 3.69 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.221 -0.9 . . . . 4.7599999999999998 110.994 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . 0.426 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 71.6 m -157.65 114.36 2.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.789 0.328 . . . . 3.3300000000000001 110.837 175.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 54.2 t -132.43 116.05 27.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.832 -0.433 . . . . 2.3799999999999999 109.832 176.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -149.66 157.22 43.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.797 0.332 . . . . 4.1299999999999999 110.945 -178.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.421 ' HG2' ' HG2' ' B' ' 41' ' ' GLU . 62.2 mtp180 -84.35 125.24 32.11 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.777 -0.647 . . . . 4.8399999999999999 111.122 -176.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.492 ' HB3' ' HD2' ' A' ' 88' ' ' LYS . 15.9 mm100 -112.85 100.59 8.78 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.687 -0.688 . . . . 4.5599999999999996 109.96 179.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -67.53 167.92 11.96 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 120.971 0.415 . . . . 2.4500000000000002 111.698 -173.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . 0.443 ' O ' ' HA ' ' B' ' 21' ' ' TRP . 79.9 m-85 -124.88 136.77 54.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.9 -0.591 . . . . 1.1599999999999999 110.749 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -94.28 101.75 13.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.311 -0.404 . . . . 3.5600000000000001 110.012 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -121.2 121.73 38.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.89 0.376 . . . . 1.49 110.534 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 61.4 m -106.61 128.15 53.92 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.982 -0.554 . . . . 1.0700000000000001 110.501 -178.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -112.34 157.69 20.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.232 -0.44 . . . . 2.48 110.35 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' CYS . . . . . 0.469 ' SG ' HG23 ' B' ' 82' ' ' THR . 68.9 m -79.25 125.42 29.45 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.3 -0.409 . . . . 1.73 110.33 179.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . 0.514 ' NE ' ' HB ' ' B' ' 18' ' ' VAL . 87.3 mtt180 -81.95 88.91 6.35 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.87 -0.419 . . . . 3.4900000000000002 109.87 176.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . 59.92 87.15 0.09 Allowed 'General case' 0 C--O 1.233 0.206 0 O-C-N 123.76 0.662 . . . . 2.5800000000000001 110.238 -176.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 39.8 m -52.38 135.99 32.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.46 -0.791 . . . . 2.7599999999999998 111.353 -176.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 70.52 81.5 0.19 Allowed Pre-proline 0 C--O 1.232 0.182 0 CA-C-N 115.357 -0.838 . . . . 2.5899999999999999 110.233 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -61.26 -27.3 83.21 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 122.866 2.377 . . . . 2.5699999999999998 112.99 -177.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 35.4 m -117.69 159.75 17.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.992 -0.373 . . . . 2.5299999999999998 109.992 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -70.83 -8.76 54.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.119 -0.491 . . . . 4.2000000000000002 111.663 -173.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . 0.417 ' HB3' ' HB3' ' B' ' 73' ' ' SER . 19.5 m -105.53 16.51 25.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.096 0.474 . . . . 3.8999999999999999 110.583 177.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.51 -106.19 2.6 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.879 -0.677 . . . . 2.6000000000000001 112.077 178.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 85.0 m -110.73 145.71 37.57 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.789 0.328 . . . . 1.74 110.452 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 45.2 ttm180 -67.15 119.25 11.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.696 -0.683 . . . . 3.9500000000000002 111.26 -173.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 111.8 -27.22 10.61 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.671 -0.776 . . . . 1.6000000000000001 112.632 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 48.6 mm -74.78 134.17 30.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.672 0.272 . . . . 1.6499999999999999 111.219 -177.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -70.0 115.25 8.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 3.3199999999999998 109.866 175.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' B' ' 76' ' ' TRP . 5.2 p -86.14 6.95 26.87 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.116 -0.493 . . . . 4.6299999999999999 112.134 -173.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -96.82 -43.4 7.52 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.813 0.339 . . . . 3.0600000000000001 110.362 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 -91.29 -30.57 16.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.95 -0.568 . . . . 3.5099999999999998 110.753 179.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' TRP . . . . . 0.458 ' CE3' ' HB3' ' B' ' 112' ' ' LEU . 98.7 m95 -127.88 156.23 42.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.955 -0.566 . . . . 3.1699999999999999 110.79 -177.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' ASN . . . . . 0.529 ' OD1' ' HB3' ' B' ' 113' ' ' SER . 3.0 p-10 -125.32 141.15 52.24 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 107.682 -1.229 . . . . 2.7000000000000002 107.682 165.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.561 ' HA ' ' O ' ' B' ' 111' ' ' VAL . 8.4 t -134.57 144.45 47.96 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.757 -0.377 . . . . 1.9299999999999999 110.564 -174.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -144.4 150.59 37.97 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.778 -0.646 . . . . 3.73 110.082 175.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.704 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 45.2 m -79.72 121.45 25.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.282 -0.872 . . . . 1.6699999999999999 110.71 -176.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 47.4 m -131.32 130.71 43.07 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.879 -0.601 . . . . 2.25 109.864 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.472 ' HB ' ' HB3' ' B' ' 105' ' ' ASP . 6.6 p -73.71 120.89 19.94 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-O 120.99 0.424 . . . . 2.7799999999999998 110.957 177.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 9.7 t -79.03 139.14 38.23 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-O 121.275 0.559 . . . . 2.6899999999999999 109.934 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 27.7 m-70 -103.61 126.68 50.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.459 -0.791 . . . . 3.71 110.012 -173.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.496 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 13.9 t -117.39 157.79 25.58 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.085 -0.709 . . . . 1.48 109.085 176.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.448 ' HB3' ' HB3' ' B' ' 101' ' ' PHE . 86.9 m-85 -104.5 116.01 31.35 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.022 0.439 . . . . 1.75 109.977 -177.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . 0.492 ' O ' ' HA ' ' B' ' 101' ' ' PHE . 17.4 m -111.12 146.96 15.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.384 0.611 . . . . 1.0800000000000001 111.672 -176.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . 0.496 ' HD2' ' HB3' ' A' ' 51' ' ' GLN . 36.9 pttt -80.22 100.89 8.54 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.724 -1.126 . . . . 3.8199999999999998 111.038 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.63 148.34 50.79 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.701 -0.681 . . . . 1.1299999999999999 110.69 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 21.7 tp -75.6 112.0 11.5 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.431 -0.581 . . . . 1.45 109.431 176.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' THR . . . . . 0.467 HG22 ' HA ' ' B' ' 38' ' ' VAL . 72.1 p -128.98 159.62 35.3 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.012 -0.54 . . . . 1.1499999999999999 109.921 -178.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . 0.468 HG23 ' HB ' ' B' ' 37' ' ' THR . 10.1 t -121.1 122.26 39.66 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.334 0.588 . . . . 1.3200000000000001 109.993 176.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -80.46 -21.67 41.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.799 -0.637 . . . . 2.46 110.49 -178.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -163.63 -67.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.163 -0.472 . . . . 3.0899999999999999 110.216 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -120.99 -53.68 2.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.314 -0.403 . . . . 3.2999999999999998 111.588 -178.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -79.02 151.69 31.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.14 -0.482 . . . . 2.7400000000000002 111.267 -175.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.95 127.7 50.06 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.897 -0.592 . . . . 1.4399999999999999 109.715 176.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -136.1 147.09 47.65 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.918 0.39 . . . . 1.3899999999999999 110.988 -177.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -77.71 95.06 4.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.304 0.573 . . . . 2.3500000000000001 109.57 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 100' ' ' ARG . . . . . 0.483 ' HB3' ' OD1' ' B' ' 30' ' ' ASP . 13.8 mmm180 -105.4 161.54 14.23 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.286 -0.87 . . . . 3.48 110.321 -174.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.492 ' HA ' ' O ' ' B' ' 87' ' ' VAL . 90.2 m-85 -98.71 110.18 22.82 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.698 -0.482 . . . . 1.98 109.698 175.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 28.9 pt -113.39 147.04 17.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.961 -0.563 . . . . 0.85999999999999999 111.008 -174.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . 0.496 ' HA ' ' O ' ' B' ' 85' ' ' THR . 1.2 ptm180 -78.33 115.22 17.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.445 0.641 . . . . 3.7200000000000002 111.564 -177.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 44.8 pt -116.02 150.1 18.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 N-CA-C 109.152 -0.684 . . . . 0.82999999999999996 109.152 170.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . 0.472 ' HB3' ' HB ' ' B' ' 82' ' ' THR . 6.0 m-20 -84.33 107.26 16.51 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 109.016 -0.735 . . . . 1.6899999999999999 109.016 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 9.8 t -94.08 -24.99 17.36 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.525 0.565 . . . . 2.29 112.525 -168.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . 0.433 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -158.77 160.5 36.38 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 121.054 -0.258 . . . . 1.1499999999999999 110.934 -177.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . 0.704 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 50.2 t -107.63 115.16 29.65 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.21 -0.663 . . . . 1.5600000000000001 109.21 177.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 24.5 m -115.99 146.15 20.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.839 0.352 . . . . 1.0800000000000001 111.067 -174.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.486 ' SG ' ' HB2' ' B' ' 15' ' ' CYS . 69.5 m -88.97 112.51 23.44 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.291 -0.413 . . . . 1.45 109.997 175.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.561 ' O ' ' HA ' ' B' ' 78' ' ' SER . 27.1 m -89.78 144.76 8.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.162 -0.472 . . . . 1.52 110.344 -179.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.458 ' HB3' ' CE3' ' B' ' 76' ' ' TRP . 83.8 mt -106.3 139.11 41.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.911 0.386 . . . . 1.6699999999999999 111.264 -178.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.529 ' HB3' ' OD1' ' B' ' 77' ' ' ASN . 20.1 t -132.16 146.44 52.03 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.922 -0.581 . . . . 2.6200000000000001 109.459 173.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' ARG . . . . . 0.438 ' O ' ' HG3' ' B' ' 114' ' ' ARG . 20.3 tpp180 . . . . . 0 CA--C 1.537 0.479 0 CA-C-N 116.24 -0.437 . . . . 6.7199999999999998 111.397 -174.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 CA--C 1.518 -0.258 0 CA-C-O 121.052 0.453 . . . . 3.6499999999999999 110.145 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.4 t -90.21 156.49 18.28 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.593 -0.731 . . . . 2.4199999999999999 110.31 -178.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.4 m -75.47 -17.78 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.593 -0.731 . . . . 1.4099999999999999 111.031 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.645 ' HB2' ' SG ' ' A' ' 110' ' ' CYS . 42.0 t -133.27 152.37 51.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.954 -0.566 . . . . 1.75 109.936 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -94.89 115.65 27.73 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.762 -0.459 . . . . 2.8700000000000001 109.762 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.481 ' OG ' ' HB3' ' A' ' 108' ' ' CYS . 17.9 m -122.65 160.63 25.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.041 -0.527 . . . . 1.72 111.246 -173.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.436 ' HB ' ' HD2' ' A' ' 59' ' ' ARG . 3.5 p -126.05 116.12 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.939 0.4 . . . . 1.51 110.698 175.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.421 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 49.5 m -94.85 121.14 36.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.364 -0.38 . . . . 1.6599999999999999 110.184 177.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.3 t -119.29 138.1 51.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.042 -0.526 . . . . 1.03 110.446 -177.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -95.37 95.81 8.71 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.873 -0.788 . . . . 1.6100000000000001 108.873 173.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.444 HG21 ' OE2' ' A' ' 55' ' ' GLU . 85.2 t -88.76 122.7 40.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.13 -0.941 . . . . 0.95999999999999996 111.355 -173.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.87 24.68 7.83 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 110.844 -0.902 . . . . 1.27 110.844 173.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -130.44 15.65 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 3.02 111.35 -178.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -70.43 127.31 32.28 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.674 -0.491 . . . . 1.3200000000000001 109.674 179.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.5 t -103.07 -30.71 10.58 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.834 0.309 . . . . 1.8200000000000001 111.834 -175.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.5 p -138.98 142.26 38.36 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.956 0.407 . . . . 1.01 111.778 -178.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.95 167.62 22.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.715 -0.675 . . . . 0.79000000000000004 110.096 177.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.3 m -108.79 118.94 38.09 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.889 0.376 . . . . 1.02 110.776 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -66.86 165.68 14.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.616 -0.72 . . . . 1.8500000000000001 110.547 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.475 ' HA ' ' CE1' ' A' ' 86' ' ' PHE . 14.5 tt -59.22 -29.84 42.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.805 0.336 . . . . 1.3300000000000001 111.297 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -76.96 -11.48 59.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.843 0.354 . . . . 2.2200000000000002 110.844 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.33 17.78 30.57 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.984 -0.626 . . . . 1.25 112.397 178.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -95.16 138.82 32.35 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.627 0.251 . . . . 2.1400000000000001 110.647 -178.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -82.53 115.41 21.5 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.539 -0.541 . . . . 2.1899999999999999 109.539 175.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.0 m -115.94 152.27 17.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.098 -0.501 . . . . 1.02 110.897 -177.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.553 ' HB ' HG23 ' A' ' 92' ' ' THR . 30.9 m -88.63 121.82 31.41 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 115.592 -0.731 . . . . 1.04 109.333 177.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.533 ' HA ' HG22 ' A' ' 91' ' ' THR . 98.7 t -81.24 130.35 36.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.807 -0.633 . . . . 1.1000000000000001 110.869 -175.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 75.9 mt -100.01 94.42 6.26 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.997 -0.547 . . . . 1.9099999999999999 109.527 177.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.521 ' O ' ' HA ' ' A' ' 50' ' ' ARG . . . -60.54 -35.45 76.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.362 0.601 . . . . 2.1800000000000002 109.619 178.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.486 ' HG2' ' HG2' ' A' ' 50' ' ' ARG . 23.9 mt-10 -106.66 115.27 29.9 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.06 -0.973 . . . . 3.5899999999999999 108.725 175.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.528 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 22.5 m -99.65 140.48 18.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.896 0.379 . . . . 2.3999999999999999 110.977 -175.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -112.45 99.3 7.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.995 -0.548 . . . . 3.25 110.016 178.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 54.4 mt -105.29 86.92 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.801 -0.444 . . . . 2.77 109.801 178.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.401 HD22 ' N ' ' A' ' 45' ' ' ASN . 0.9 OUTLIER 66.99 -77.78 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.543 -0.753 . . . . 3.8399999999999999 110.933 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -133.72 2.13 3.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.482 -0.326 . . . . 4.7599999999999998 110.516 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.1 m -107.94 115.32 29.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.85 0.357 . . . . 3.3300000000000001 110.366 -178.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.528 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 38.7 t -116.0 125.6 73.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.897 -0.592 . . . . 2.3700000000000001 110.148 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -145.7 165.48 28.63 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.205 -0.294 . . . . 4.1299999999999999 110.205 176.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.521 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 95.5 mtt180 -106.24 136.54 45.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.229 -0.442 . . . . 4.8399999999999999 111.284 -177.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -110.66 145.17 38.41 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.715 -0.675 . . . . 4.5599999999999996 109.8 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -119.0 154.44 33.07 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.251 -0.277 . . . . 2.46 110.251 -178.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -121.41 127.52 51.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.207 -0.452 . . . . 1.1599999999999999 110.711 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -84.86 103.27 13.78 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.228 0.537 . . . . 3.5600000000000001 110.327 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.444 ' OE2' HG21 ' A' ' 22' ' ' VAL . 27.0 mt-10 -107.92 113.45 26.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.259 -0.428 . . . . 1.49 110.31 179.086 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.421 ' HA ' ' HA ' ' A' ' 19' ' ' SER . 36.5 m -97.22 103.42 15.35 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.071 -0.513 . . . . 1.0700000000000001 109.624 176.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -103.05 154.27 19.43 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.677 -0.692 . . . . 2.48 110.828 -174.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.483 ' SG ' HG23 ' A' ' 82' ' ' THR . 79.5 m -80.96 110.49 16.55 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.643 -0.708 . . . . 1.73 110.9 -179.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.436 ' HD2' ' HB ' ' A' ' 18' ' ' VAL . 17.1 ptm180 -99.32 17.13 20.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.518 0.675 . . . . 3.48 109.371 174.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -167.21 173.2 9.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.653 -1.158 . . . . 2.5800000000000001 108.81 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.611 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 29.7 t -148.74 -31.5 0.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.135 0.493 . . . . 2.7599999999999998 110.618 177.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -140.27 76.85 25.61 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 108.818 -0.808 . . . . 2.5899999999999999 108.818 176.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.15 -42.57 52.89 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.485 2.79 . . . . 2.5699999999999998 113.682 -171.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.1 m -84.08 -55.37 7.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 112.142 0.423 . . . . 2.5299999999999998 112.142 -176.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.57 ' HG3' ' H ' ' A' ' 66' ' ' SER . 7.2 pt-20 -168.8 -68.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.79 -0.187 . . . . 4.1900000000000004 111.418 -177.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.57 ' H ' ' HG3' ' A' ' 65' ' ' GLU . 15.6 m -123.26 -9.7 8.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.832 0.349 . . . . 3.8999999999999999 111.451 -176.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -136.67 -170.37 11.93 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.765 -0.731 . . . . 2.6000000000000001 111.901 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 85.0 m -101.85 71.47 1.3 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.933 0.397 . . . . 1.73 111.394 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 70.93 -72.78 0.11 Allowed 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.182 -0.917 . . . . 3.9399999999999999 112.254 171.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.24 -17.31 32.2 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.514 -0.85 . . . . 1.6100000000000001 112.83 -176.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.53 HG21 ' OG ' ' A' ' 78' ' ' SER . 44.5 mm -65.52 124.83 21.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.894 0.347 . . . . 1.6499999999999999 111.215 -176.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -68.53 106.13 2.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.005 -0.543 . . . . 3.3199999999999998 109.86 174.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.3 p -70.26 -12.53 61.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.882 -0.599 . . . . 4.6299999999999999 112.024 -174.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -80.74 -32.4 35.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.896 0.379 . . . . 3.0600000000000001 110.628 -178.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -99.16 -30.43 12.29 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.377 -0.374 . . . . 3.5099999999999998 110.928 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -126.96 140.04 52.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.228 0.537 . . . . 3.1699999999999999 111.896 -176.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.508 ' HB3' ' HB3' ' A' ' 113' ' ' SER . 4.3 t-20 -93.89 134.47 36.22 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.938 -1.134 . . . . 2.6899999999999999 107.938 169.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.53 ' OG ' HG21 ' A' ' 71' ' ' ILE . 16.6 m -127.09 138.94 53.29 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.104 0.478 . . . . 1.9299999999999999 111.588 -176.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -153.43 141.95 20.79 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.364 -0.835 . . . . 3.73 109.648 172.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.799 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 79.9 m -81.84 123.05 28.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.599 -0.728 . . . . 1.6699999999999999 110.783 -176.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.3 m -128.74 137.94 51.84 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.781 -0.645 . . . . 2.2400000000000002 109.55 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.483 HG23 ' SG ' ' A' ' 58' ' ' CYS . 12.4 p -84.19 122.34 28.72 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 121.025 0.441 . . . . 2.7799999999999998 111.45 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.0 m -76.52 134.37 39.48 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 108.96 -0.756 . . . . 2.6899999999999999 108.96 174.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.49 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 72.6 m80 -106.27 122.15 45.65 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.763 0.316 . . . . 3.71 110.602 -176.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.716 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 3.3 t -109.09 162.16 14.51 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.598 -0.519 . . . . 1.48 109.598 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.475 ' CE1' ' HA ' ' A' ' 31' ' ' ILE . 77.5 m-85 -103.76 117.28 34.0 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.061 -0.348 . . . . 1.75 110.061 -178.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 20.6 m -109.22 138.62 35.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.315 0.578 . . . . 1.0800000000000001 111.484 -176.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 17.2 pttp -69.41 103.01 1.9 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.992 -1.004 . . . . 3.8199999999999998 110.914 178.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.32 138.98 50.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.331 -0.849 . . . . 1.1299999999999999 111.213 -178.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.8 tp -73.8 107.48 6.07 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.992 -0.744 . . . . 1.45 108.992 173.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.533 HG22 ' HA ' ' A' ' 38' ' ' VAL . 77.0 p -131.14 162.8 29.1 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.121 -0.49 . . . . 1.1399999999999999 109.781 -177.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.553 HG23 ' HB ' ' A' ' 37' ' ' THR . 4.6 t -117.33 120.5 38.38 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.232 0.539 . . . . 1.3200000000000001 110.383 179.086 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -77.84 -9.73 59.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.837 -0.619 . . . . 2.4700000000000002 110.639 178.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -162.26 -78.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.08 -0.509 . . . . 3.0899999999999999 109.882 177.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -143.05 26.79 1.66 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.084 0.469 . . . . 3.29 110.326 178.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -133.02 117.56 17.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.705 -0.68 . . . . 2.7400000000000002 109.733 -178.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.72 113.5 15.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.905 0.383 . . . . 1.4399999999999999 110.865 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -130.82 146.58 52.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.124 -0.489 . . . . 1.3799999999999999 110.353 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -76.49 101.81 5.77 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.097 0.475 . . . . 2.3500000000000001 109.864 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.43 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 39.2 mmt180 -105.41 177.57 4.81 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.554 -0.748 . . . . 3.48 110.05 -177.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.47 ' HB3' ' HB3' ' A' ' 86' ' ' PHE . 74.6 m-85 -119.5 107.67 13.59 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.687 -0.857 . . . . 1.98 108.687 174.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 35.3 pt -111.56 143.37 21.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.983 0.421 . . . . 0.85999999999999999 111.246 -171.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.716 ' HA ' ' O ' ' A' ' 85' ' ' THR . 20.4 ptp180 -82.81 125.02 30.84 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.723 -0.671 . . . . 3.71 111.229 -174.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.49 ' O ' ' HA ' ' A' ' 84' ' ' HIS . 46.2 pt -126.96 154.97 37.66 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 CA-C-N 115.698 -0.683 . . . . 0.82999999999999996 110.663 177.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -67.18 105.14 1.62 Allowed 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.615 -0.72 . . . . 1.6899999999999999 109.263 175.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.2 m -90.97 -48.44 6.99 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.164 -0.471 . . . . 2.29 111.446 -171.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.436 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -148.13 147.56 29.63 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.075 -0.511 . . . . 1.1399999999999999 110.38 -178.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.799 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 40.4 t -102.14 109.62 21.36 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.131 -0.692 . . . . 1.5600000000000001 109.131 177.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.3 m -113.84 143.7 22.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.146 -0.479 . . . . 1.0700000000000001 111.545 -172.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.645 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 88.5 m -80.03 104.45 10.61 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.894 -0.593 . . . . 1.45 109.492 172.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 32.0 m -89.33 147.29 5.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.533 -0.543 . . . . 1.52 109.533 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.7 mt -102.02 138.94 38.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.428 0.632 . . . . 1.6699999999999999 110.911 -175.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.508 ' HB3' ' HB3' ' A' ' 77' ' ' ASN . 15.1 t -128.32 153.5 46.94 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.262 -0.881 . . . . 2.6200000000000001 109.641 177.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.5 . . . . 6.7300000000000004 111.831 -175.139 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 120.998 0.428 . . . . 3.6499999999999999 110.167 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 34.5 t -90.31 156.58 18.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.502 -0.772 . . . . 2.4199999999999999 110.255 -178.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 29.3 m -75.59 -17.55 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.486 -0.779 . . . . 1.4099999999999999 111.126 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.653 ' HB2' ' SG ' ' B' ' 110' ' ' CYS . 42.0 t -133.57 152.13 51.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.928 -0.578 . . . . 1.75 109.92 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -94.73 115.7 27.84 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.735 -0.469 . . . . 2.8700000000000001 109.735 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . 0.484 ' OG ' ' HB3' ' B' ' 108' ' ' CYS . 17.6 m -122.31 161.3 23.62 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.091 -0.504 . . . . 1.72 111.164 -173.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.425 ' HB ' ' HD2' ' B' ' 59' ' ' ARG . 3.4 p -126.62 116.09 43.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.308 -0.405 . . . . 1.51 110.693 175.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.433 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 51.1 m -94.73 121.18 36.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.115 0.483 . . . . 1.6599999999999999 110.328 177.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 48.2 t -119.28 138.01 51.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.994 -0.548 . . . . 1.03 110.408 -177.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -95.22 95.93 8.85 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.892 -0.781 . . . . 1.6100000000000001 108.892 173.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.433 HG21 ' OE2' ' B' ' 55' ' ' GLU . 90.2 t -88.81 122.64 40.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.168 -0.924 . . . . 0.95999999999999996 111.354 -173.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.83 24.55 7.89 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 110.926 -0.87 . . . . 1.27 110.926 173.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -129.86 14.8 5.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.783 -0.208 . . . . 3.0099999999999998 111.551 -178.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -69.53 127.42 32.94 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.761 -0.459 . . . . 1.3200000000000001 109.761 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 10.8 t -103.17 -30.69 10.54 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.803 0.297 . . . . 1.8200000000000001 111.803 -175.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.4 p -139.12 142.57 38.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.039 0.447 . . . . 1.0 111.568 -178.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -145.29 167.69 22.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.743 -0.662 . . . . 0.79000000000000004 110.058 177.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 18.7 m -108.84 118.7 37.46 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.818 0.342 . . . . 1.01 110.749 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -66.74 165.51 14.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.593 -0.73 . . . . 1.8400000000000001 110.72 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.471 ' HA ' ' CE1' ' B' ' 86' ' ' PHE . 14.3 tt -59.07 -29.68 41.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.875 0.369 . . . . 1.3300000000000001 111.408 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -77.15 -11.52 59.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.096 0.474 . . . . 2.2200000000000002 110.823 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.13 18.37 29.29 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.886 -0.673 . . . . 1.25 112.233 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -95.57 138.69 32.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.682 0.277 . . . . 2.1400000000000001 110.674 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -82.2 115.61 21.37 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.612 -0.514 . . . . 2.1899999999999999 109.612 175.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 35.0 m -116.01 152.5 17.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 121.041 0.448 . . . . 1.01 110.804 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . 0.558 ' HB ' HG23 ' B' ' 92' ' ' THR . 31.1 m -88.71 121.78 31.44 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.62 -0.718 . . . . 1.04 109.306 176.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.553 ' HA ' HG22 ' B' ' 91' ' ' THR . 99.0 t -81.31 130.15 36.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 115.79 -0.641 . . . . 1.1000000000000001 110.984 -175.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 77.3 mt -99.88 94.49 6.34 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.45 -0.574 . . . . 1.9099999999999999 109.45 178.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.525 ' O ' ' HA ' ' B' ' 50' ' ' ARG . . . -60.7 -35.3 75.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.323 0.583 . . . . 2.1800000000000002 109.637 178.165 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.474 ' HG2' ' HG2' ' B' ' 50' ' ' ARG . 24.0 mt-10 -106.46 115.45 30.23 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.0 -1.0 . . . . 3.5899999999999999 108.792 175.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.523 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 22.6 m -99.79 140.4 19.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.834 0.349 . . . . 2.3900000000000001 110.972 -175.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -112.46 99.29 7.87 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.092 -0.504 . . . . 3.25 109.971 178.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 55.3 mt -105.25 87.21 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.671 -0.492 . . . . 2.77 109.671 178.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . 0.4 HD22 ' N ' ' B' ' 45' ' ' ASN . 0.9 OUTLIER 66.82 -78.01 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.654 -0.703 . . . . 3.8399999999999999 110.956 -179.861 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -133.36 1.26 3.44 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.429 -0.351 . . . . 4.7599999999999998 110.641 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 16.0 m -107.44 115.35 30.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.953 0.406 . . . . 3.3300000000000001 110.331 -177.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.523 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 38.4 t -116.23 125.35 73.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.889 -0.596 . . . . 2.3799999999999999 110.137 -179.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -145.62 165.19 29.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.709 0.29 . . . . 4.1299999999999999 110.238 176.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.525 ' HA ' ' O ' ' B' ' 40' ' ' ALA . 95.4 mtt180 -105.84 136.73 44.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.103 -0.499 . . . . 4.8399999999999999 111.237 -177.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -110.7 145.25 38.34 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.804 -0.634 . . . . 4.5599999999999996 109.799 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -119.19 154.26 33.63 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.356 -0.239 . . . . 2.4500000000000002 110.356 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -121.27 127.59 51.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.281 -0.418 . . . . 1.1599999999999999 110.804 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -84.89 103.23 13.76 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.216 0.531 . . . . 3.5600000000000001 110.348 178.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . 0.433 ' OE2' HG21 ' B' ' 22' ' ' VAL . 26.8 mt-10 -108.02 113.35 26.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.179 -0.464 . . . . 1.49 110.301 179.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' B' ' 19' ' ' SER . 37.9 m -97.07 103.49 15.43 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.554 -0.536 . . . . 1.0700000000000001 109.554 176.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -103.21 154.13 19.65 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.849 -0.614 . . . . 2.48 110.791 -174.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' CYS . . . . . 0.485 ' SG ' HG23 ' B' ' 82' ' ' THR . 79.8 m -80.7 110.81 16.56 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.684 -0.689 . . . . 1.73 110.828 -179.18 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . 0.425 ' HD2' ' HB ' ' B' ' 18' ' ' VAL . 17.2 ptm180 -99.77 17.2 21.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.535 0.684 . . . . 3.4900000000000002 109.168 174.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -167.14 173.36 9.17 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.722 -1.126 . . . . 2.5800000000000001 108.766 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . 0.612 ' HA ' ' SG ' ' B' ' 80' ' ' CYS . 29.1 t -149.08 -31.44 0.24 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.011 0.434 . . . . 2.7599999999999998 110.468 178.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -140.66 76.71 23.65 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 108.857 -0.794 . . . . 2.5899999999999999 108.857 177.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -51.48 -42.21 56.48 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.48 2.786 . . . . 2.5699999999999998 113.685 -171.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 5.1 m -83.88 -56.29 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 C-N-CA 120.707 -0.397 . . . . 2.5299999999999998 111.842 -176.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . 0.552 ' HG3' ' H ' ' B' ' 66' ' ' SER . 7.3 pt-20 -168.4 -67.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.72 0.267 . . . . 4.2000000000000002 111.72 -177.228 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . 0.552 ' H ' ' HG3' ' B' ' 65' ' ' GLU . 16.7 m -123.96 -9.61 7.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.749 0.309 . . . . 3.8999999999999999 111.431 -177.079 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -137.05 -170.34 11.88 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.697 -0.763 . . . . 2.6000000000000001 111.865 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 85.2 m -101.72 71.59 1.32 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.948 0.404 . . . . 1.74 111.385 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 70.79 -72.89 0.1 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.246 -0.888 . . . . 3.9500000000000002 112.303 171.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.13 -17.35 32.34 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.519 -0.848 . . . . 1.6000000000000001 112.797 -176.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . 0.53 HG21 ' OG ' ' B' ' 78' ' ' SER . 44.3 mm -65.52 124.98 21.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.788 0.294 . . . . 1.6499999999999999 111.263 -176.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -68.62 106.26 2.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.866 -0.606 . . . . 3.3199999999999998 109.913 174.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 18.3 p -70.25 -12.51 61.64 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.843 -0.617 . . . . 4.6299999999999999 112.085 -174.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -81.05 -32.39 34.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.953 0.406 . . . . 3.0600000000000001 110.538 -178.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -99.18 -30.51 12.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.332 -0.395 . . . . 3.5099999999999998 110.836 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' TRP . . . . . 0.409 ' CE3' ' HB3' ' B' ' 112' ' ' LEU . 79.5 m95 -127.03 139.95 52.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.271 0.558 . . . . 3.1699999999999999 111.941 -176.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' ASN . . . . . 0.502 ' HB3' ' HB3' ' B' ' 113' ' ' SER . 4.2 t-20 -93.74 134.6 35.9 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 107.968 -1.123 . . . . 2.7000000000000002 107.968 169.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.53 ' OG ' HG21 ' B' ' 71' ' ' ILE . 16.1 m -127.23 138.87 53.2 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.147 0.499 . . . . 1.9299999999999999 111.439 -176.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -153.35 141.95 20.86 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.364 -0.835 . . . . 3.73 109.61 172.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.806 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 79.3 m -81.81 123.11 28.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.673 -0.694 . . . . 1.6699999999999999 110.613 -176.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 31.4 m -129.01 137.99 51.67 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.716 -0.674 . . . . 2.25 109.591 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.485 HG23 ' SG ' ' B' ' 58' ' ' CYS . 12.4 p -84.29 122.13 28.47 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.204 0.525 . . . . 2.7799999999999998 111.425 -179.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 22.4 m -76.46 134.54 39.51 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 108.892 -0.781 . . . . 2.6899999999999999 108.892 174.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' HIS . . . . . 0.461 ' HA ' ' O ' ' B' ' 104' ' ' ILE . 72.7 m80 -106.35 121.95 45.26 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.684 0.278 . . . . 3.71 110.712 -176.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.716 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 3.5 t -109.24 162.17 14.55 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.543 -0.54 . . . . 1.48 109.543 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.479 ' HB3' ' HB3' ' B' ' 101' ' ' PHE . 78.2 m-85 -103.93 117.49 34.45 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.865 -0.42 . . . . 1.75 109.865 -178.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 20.2 m -109.3 138.46 36.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.237 0.541 . . . . 1.0800000000000001 111.473 -176.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 17.2 pttp -69.22 103.22 1.88 Allowed 'General case' 0 C--O 1.238 0.479 0 CA-C-N 114.946 -1.025 . . . . 3.8199999999999998 110.937 178.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.56 138.91 50.4 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.376 -0.829 . . . . 1.1299999999999999 111.128 -178.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 24.4 tp -73.81 107.64 6.17 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.045 -0.724 . . . . 1.45 109.045 173.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' THR . . . . . 0.553 HG22 ' HA ' ' B' ' 38' ' ' VAL . 76.8 p -131.33 162.94 28.95 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.154 -0.476 . . . . 1.1499999999999999 109.834 -177.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . 0.558 HG23 ' HB ' ' B' ' 37' ' ' THR . 4.9 t -117.52 120.59 38.56 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.267 0.556 . . . . 1.3200000000000001 110.441 179.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -77.48 -10.44 59.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.79 -0.641 . . . . 2.46 110.595 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -162.06 -78.68 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.959 -0.564 . . . . 3.0899999999999999 109.928 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -142.89 27.19 1.66 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.241 0.543 . . . . 3.2999999999999998 110.235 178.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -133.38 116.9 16.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.757 -0.656 . . . . 2.7400000000000002 109.702 -178.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.29 113.89 15.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.999 0.428 . . . . 1.4399999999999999 110.751 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -131.21 146.23 52.24 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.99 -0.55 . . . . 1.3899999999999999 110.506 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -76.06 102.53 5.72 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.188 0.518 . . . . 2.3500000000000001 109.792 178.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 100' ' ' ARG . . . . . 0.432 ' O ' ' HA ' ' B' ' 88' ' ' LYS . 39.2 mmt180 -106.15 177.39 4.87 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.597 -0.728 . . . . 3.48 109.902 -177.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.479 ' HB3' ' HB3' ' B' ' 86' ' ' PHE . 74.6 m-85 -119.45 107.72 13.67 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.637 -0.875 . . . . 1.98 108.637 174.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 35.7 pt -111.7 143.24 21.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.048 0.452 . . . . 0.85999999999999999 111.244 -171.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . 0.716 ' HA ' ' O ' ' B' ' 85' ' ' THR . 20.5 ptp180 -82.69 125.33 31.11 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.574 -0.739 . . . . 3.7200000000000002 111.233 -174.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 104' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' B' ' 84' ' ' HIS . 45.9 pt -127.3 154.94 38.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 CA-C-N 115.596 -0.729 . . . . 0.82999999999999996 110.565 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -67.22 105.07 1.61 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.6 -0.727 . . . . 1.6899999999999999 109.242 175.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 1.1 m -90.91 -48.33 7.07 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.213 -0.449 . . . . 2.29 111.515 -171.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . 0.428 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -148.25 147.44 29.36 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.066 -0.515 . . . . 1.1499999999999999 110.48 -178.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . 0.806 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 40.4 t -101.98 109.56 21.32 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.166 -0.679 . . . . 1.5600000000000001 109.166 177.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 33.2 m -113.7 143.58 23.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.209 -0.45 . . . . 1.0800000000000001 111.566 -172.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.653 ' SG ' ' HB2' ' B' ' 15' ' ' CYS . 88.5 m -79.98 104.44 10.55 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.95 -0.568 . . . . 1.45 109.527 172.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 32.5 m -89.32 147.19 5.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.622 -0.51 . . . . 1.52 109.622 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.409 ' HB3' ' CE3' ' B' ' 76' ' ' TRP . 87.7 mt -101.85 138.96 38.13 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.398 0.618 . . . . 1.6699999999999999 111.043 -175.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.502 ' HB3' ' HB3' ' B' ' 77' ' ' ASN . 13.8 t -128.3 153.6 46.82 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.268 -0.878 . . . . 2.6200000000000001 109.638 177.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.169 -0.469 . . . . 6.7199999999999998 111.882 -175.296 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.479 ' HB2' ' HB ' ' B' ' 111' ' ' VAL . 63.6 m-85 . . . . . 0 CA--C 1.52 -0.2 0 N-CA-C 109.352 -0.61 . . . . 3.6499999999999999 109.352 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.4 m -139.49 129.86 25.5 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.773 0.32 . . . . 2.4199999999999999 111.174 -176.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.3 m -74.71 -18.23 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-O 121.143 0.497 . . . . 1.4099999999999999 110.618 174.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 68.5 m -127.21 133.09 50.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.342 -0.845 . . . . 1.75 109.585 177.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -67.13 115.63 7.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.763 0.316 . . . . 2.8700000000000001 110.18 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.5 p -125.49 154.33 42.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.147 0.498 . . . . 1.72 111.778 -174.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.512 ' HB ' ' NE ' ' A' ' 59' ' ' ARG . 3.7 p -122.25 115.69 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.485 -0.78 . . . . 1.51 110.212 179.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 11.2 t -103.04 117.14 33.92 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.668 -0.493 . . . . 1.6599999999999999 109.668 179.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.2 t -119.46 138.41 50.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.423 -0.353 . . . . 1.03 110.925 -176.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 85.3 m95 -101.77 95.5 6.45 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.36 -0.978 . . . . 1.6100000000000001 108.36 171.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.433 HG12 ' H ' ' A' ' 24' ' ' ASP . 43.6 t -80.4 111.32 16.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.363 -0.835 . . . . 0.95999999999999996 110.811 -173.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.99 11.7 71.52 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.629 -0.796 . . . . 1.27 112.241 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.433 ' H ' HG12 ' A' ' 22' ' ' VAL . 37.8 t70 -156.88 59.68 0.53 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.192 0.52 . . . . 3.02 110.883 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -80.69 130.33 35.03 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.891 -0.781 . . . . 1.3200000000000001 108.891 175.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 t -101.45 -30.78 11.24 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.563 0.579 . . . . 1.8200000000000001 112.563 -170.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.79 145.79 30.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.827 0.346 . . . . 1.01 111.588 -179.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.81 167.81 27.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.909 -0.587 . . . . 0.79000000000000004 110.481 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 34' ' ' LYS . 25.5 m -100.05 119.74 38.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.812 -0.631 . . . . 1.02 110.527 178.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.447 ' CG ' HH21 ' A' ' 100' ' ' ARG . 17.8 t70 -69.18 158.64 34.52 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.348 -0.842 . . . . 1.8500000000000001 110.023 177.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.9 tt -61.17 -21.32 24.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-N 116.053 -0.521 . . . . 1.3300000000000001 111.828 -176.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.47 ' HD2' ' NH2' ' A' ' 100' ' ' ARG . 96.9 mttt -84.79 -5.3 59.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.893 0.377 . . . . 2.2200000000000002 110.655 178.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.44 27.4 13.24 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.84 -0.695 . . . . 1.25 112.24 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 29' ' ' THR . 75.2 mmtt -102.12 155.35 18.25 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.739 0.304 . . . . 2.1400000000000001 110.549 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -102.44 115.62 30.93 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.925 -0.769 . . . . 2.1899999999999999 108.925 174.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.2 m -124.98 151.34 30.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.132 0.492 . . . . 1.02 111.65 -174.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.415 ' HB ' ' CG2' ' A' ' 92' ' ' THR . 46.4 m -81.61 119.79 24.25 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.239 -0.891 . . . . 1.04 109.704 177.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.499 ' HA ' HG22 ' A' ' 91' ' ' THR . 54.3 t -86.24 136.19 23.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 116.223 -0.444 . . . . 1.1000000000000001 110.772 -175.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.1 mt -109.12 107.82 18.26 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.135 -0.691 . . . . 1.9099999999999999 109.135 175.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.6 -25.83 65.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.493 0.663 . . . . 2.1800000000000002 110.123 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.477 ' HG2' ' HB3' ' A' ' 50' ' ' ARG . 30.5 mt-10 -106.81 114.69 28.94 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 114.993 -1.003 . . . . 3.5899999999999999 108.424 174.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 49' ' ' PHE . 19.5 m -90.68 123.3 42.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.225 0.536 . . . . 2.3999999999999999 110.395 -176.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -93.55 107.09 18.99 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.576 0.703 . . . . 3.25 109.793 178.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 59.5 mt -103.42 76.59 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.283 -0.636 . . . . 2.77 109.283 177.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.413 HD22 ' N ' ' A' ' 45' ' ' ASN . 0.9 OUTLIER 65.28 -81.86 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.044 -0.98 . . . . 3.8399999999999999 111.293 -179.74 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -125.27 29.54 6.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.821 0.344 . . . . 4.7599999999999998 110.836 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.7 m -147.04 115.34 6.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.801 0.334 . . . . 3.3300000000000001 110.434 178.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.1 t -102.03 121.39 52.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.239 -0.437 . . . . 2.3700000000000001 110.765 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.42 ' O ' HG22 ' A' ' 42' ' ' VAL . 78.2 m-85 -120.28 126.88 51.68 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.009 -0.542 . . . . 4.1299999999999999 110.001 178.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.477 ' HB3' ' HG2' ' A' ' 41' ' ' GLU . 8.4 ptp180 -104.13 141.51 36.1 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.885 0.374 . . . . 4.8399999999999999 110.821 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -133.66 174.35 10.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.98 -0.554 . . . . 4.5599999999999996 109.817 177.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -121.04 136.23 55.03 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.132 -0.692 . . . . 2.46 109.132 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -94.82 121.58 36.56 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.781 0.324 . . . . 1.1599999999999999 110.6 -177.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -83.93 107.07 16.08 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.473 0.654 . . . . 3.5600000000000001 110.934 -177.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -115.26 112.24 22.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.724 -0.671 . . . . 1.49 109.683 177.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 19' ' ' SER . 24.6 m -105.66 104.61 14.37 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.228 0.537 . . . . 1.0700000000000001 110.079 178.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -102.52 169.84 8.41 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.66 -0.7 . . . . 2.48 109.565 -176.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.416 ' HB2' HG23 ' A' ' 82' ' ' THR . 1.7 t -108.52 112.35 24.68 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.982 0.42 . . . . 1.73 110.264 -178.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.512 ' NE ' ' HB ' ' A' ' 18' ' ' VAL . 88.5 mtt180 -68.35 -38.55 81.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.687 -0.688 . . . . 3.48 110.396 -179.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -121.54 105.5 10.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.924 -0.58 . . . . 2.5800000000000001 110.521 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.447 ' HA ' ' HB2' ' A' ' 80' ' ' CYS . 6.1 p -71.8 -28.39 63.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.969 -0.56 . . . . 2.7599999999999998 110.23 178.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -139.0 74.39 37.12 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.434 -0.803 . . . . 2.5899999999999999 109.754 176.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -55.9 -36.13 95.14 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.486 2.124 . . . . 2.5699999999999998 112.489 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.4 m -119.09 162.02 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.538 -0.542 . . . . 2.5299999999999998 109.538 176.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -76.6 51.43 0.74 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.309 0.576 . . . . 4.1900000000000004 111.147 -177.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.9 m -161.11 -26.56 0.06 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.19 -0.914 . . . . 3.8999999999999999 109.165 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.471 ' HA3' ' HB3' ' A' ' 78' ' ' SER . . . 138.42 -115.23 1.14 Allowed Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 110.875 -0.89 . . . . 2.6000000000000001 110.875 -177.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.43 ' SG ' HG12 ' A' ' 71' ' ' ILE . 13.9 p -90.56 149.29 22.21 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.294 -0.632 . . . . 1.73 109.294 176.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -66.86 118.37 10.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.409 -0.36 . . . . 3.9399999999999999 111.647 -173.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.33 -28.19 4.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.639 -0.791 . . . . 1.6100000000000001 112.613 176.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.43 HG12 ' SG ' ' A' ' 68' ' ' CYS . 48.5 mm -70.53 143.02 15.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.852 0.358 . . . . 1.6499999999999999 111.623 -176.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -74.59 122.29 22.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.073 -0.512 . . . . 3.3199999999999998 110.344 176.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.1 m -70.25 -19.72 63.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.728 -0.669 . . . . 4.6299999999999999 112.547 -173.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -89.25 -43.32 11.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.629 0.252 . . . . 3.0600000000000001 111.398 -174.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -89.15 -26.95 21.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.534 -0.303 . . . . 3.5099999999999998 111.782 -176.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -133.19 154.93 50.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.485 0.66 . . . . 3.1699999999999999 111.528 -175.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -122.1 134.32 54.76 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 107.843 -1.169 . . . . 2.6899999999999999 107.843 168.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.471 ' HB3' ' HA3' ' A' ' 67' ' ' GLY . 16.1 t -121.04 158.63 27.39 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.139 0.495 . . . . 1.9299999999999999 111.656 -170.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.549 ' O ' HG22 ' A' ' 111' ' ' VAL . 74.9 t80 -155.35 136.62 13.97 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.981 -0.748 . . . . 3.73 108.981 177.334 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.828 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 61.4 m -91.18 111.39 22.85 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.972 0.415 . . . . 1.6699999999999999 110.073 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.512 ' HG1' ' HD1' ' A' ' 79' ' ' TYR . 24.6 m -114.08 134.83 54.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.934 -0.576 . . . . 2.2400000000000002 111.037 -173.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.416 HG23 ' HB2' ' A' ' 58' ' ' CYS . 0.7 OUTLIER -81.62 122.05 27.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.014 0.435 . . . . 2.7799999999999998 111.638 176.629 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.3 p -78.59 157.27 28.78 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.945 -0.571 . . . . 2.6899999999999999 109.711 173.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -131.16 134.3 46.39 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.943 0.402 . . . . 3.71 110.767 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.679 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 13.7 t -121.78 168.23 12.07 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.686 -0.487 . . . . 1.48 109.686 -179.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.462 ' CE1' ' HB3' ' A' ' 103' ' ' ARG . 95.7 m-85 -115.16 117.63 31.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.891 0.377 . . . . 1.75 110.633 -175.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.2 m -111.88 145.34 18.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.003 -0.544 . . . . 1.0800000000000001 110.902 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 88' ' ' LYS . 11.4 pttm -79.12 111.82 15.71 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.489 0.661 . . . . 3.8199999999999998 110.677 177.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.96 149.53 50.77 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.537 -0.756 . . . . 1.1299999999999999 110.197 177.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.9 tp -76.49 108.38 9.43 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.391 -0.966 . . . . 1.45 108.391 174.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.499 HG22 ' HA ' ' A' ' 38' ' ' VAL . 61.5 p -125.55 159.29 32.44 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.506 -0.316 . . . . 1.1399999999999999 110.211 -175.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.415 ' CG2' ' HB ' ' A' ' 37' ' ' THR . 9.8 t -125.87 126.31 44.24 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.181 0.515 . . . . 1.3200000000000001 110.305 177.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -79.6 -17.85 52.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.865 -0.607 . . . . 2.4700000000000002 110.757 179.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -164.91 -57.94 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.518 -0.31 . . . . 3.0899999999999999 111.587 173.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -127.99 -51.9 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 122.155 -0.34 . . . . 3.29 111.747 -176.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -77.67 134.9 38.05 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.458 -0.337 . . . . 2.7400000000000002 110.908 -177.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -92.32 129.88 38.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.499 -0.319 . . . . 1.4399999999999999 110.177 176.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.08 153.25 42.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.818 0.342 . . . . 1.3799999999999999 110.994 -177.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -75.32 110.12 9.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.171 -0.468 . . . . 2.3500000000000001 110.289 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.47 ' NH2' ' HD2' ' A' ' 32' ' ' LYS . 11.7 mmm180 -123.74 156.57 35.76 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.055 -0.52 . . . . 3.48 110.257 -177.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.417 ' HB3' ' HB3' ' A' ' 86' ' ' PHE . 92.9 m-85 -94.53 114.29 26.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.011 -0.54 . . . . 1.98 109.717 176.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 36.7 pt -113.6 147.2 17.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.79 0.329 . . . . 0.85999999999999999 110.769 -176.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.679 ' HA ' ' O ' ' A' ' 85' ' ' THR . 39.8 ptt180 -87.77 129.95 35.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.334 0.587 . . . . 3.71 111.264 -176.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 30.0 pt -129.68 154.71 40.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.339 -0.846 . . . . 0.82999999999999996 109.991 176.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -65.88 123.7 20.5 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 121.102 0.477 . . . . 1.6899999999999999 110.049 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.429 HG22 HG22 ' B' ' 106' ' ' THR . 2.0 m -94.16 -56.48 2.83 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.624 -0.717 . . . . 2.29 111.154 -172.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -163.38 157.94 20.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.234 -0.439 . . . . 1.1399999999999999 110.485 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.828 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 50.8 t -96.3 119.31 34.55 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.763 -0.458 . . . . 1.5600000000000001 109.763 177.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' A' ' 80' ' ' CYS . 19.2 m -108.08 152.07 10.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.024 -0.535 . . . . 1.0700000000000001 110.889 -175.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 36.6 t -95.04 110.4 22.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.068 -0.515 . . . . 1.45 109.643 176.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 79' ' ' TYR . 15.8 m -93.94 153.49 3.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.553 -0.294 . . . . 1.52 110.218 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.7 mt -127.61 139.21 52.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.314 0.578 . . . . 1.6699999999999999 111.614 -178.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.1 p -127.03 142.78 51.46 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.12 -0.946 . . . . 2.6200000000000001 108.467 172.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 7.9 ppt_? . . . . . 0 C--N 1.327 -0.388 0 N-CA-C 111.946 0.351 . . . . 6.7300000000000004 111.946 -172.916 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . 0.467 ' HB2' ' HB ' ' A' ' 111' ' ' VAL . 63.4 m-85 . . . . . 0 CA--C 1.52 -0.18 0 N-CA-C 109.393 -0.595 . . . . 3.6499999999999999 109.393 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 44.1 m -139.89 129.7 24.63 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.762 0.315 . . . . 2.4199999999999999 111.048 -176.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.1 m -74.64 -18.23 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 121.152 0.501 . . . . 1.4099999999999999 110.545 174.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 68.7 m -127.24 132.98 50.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.406 -0.816 . . . . 1.75 109.626 177.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -66.98 115.69 6.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.858 0.361 . . . . 2.8700000000000001 110.182 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.6 p -125.43 154.5 41.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.123 0.487 . . . . 1.72 111.742 -174.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.504 ' HB ' ' NE ' ' B' ' 59' ' ' ARG . 3.7 p -122.41 115.86 47.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.518 -0.765 . . . . 1.51 110.174 179.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 11.7 t -103.33 116.69 32.92 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.715 -0.476 . . . . 1.6599999999999999 109.715 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 58.3 t -119.24 138.33 50.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.293 -0.412 . . . . 1.03 110.912 -176.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -101.79 95.18 6.24 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.569 -0.9 . . . . 1.6100000000000001 108.569 171.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.416 HG12 ' H ' ' B' ' 24' ' ' ASP . 44.1 t -80.13 111.14 16.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.271 -0.877 . . . . 0.95999999999999996 110.678 -173.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.31 10.64 73.87 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.693 -0.765 . . . . 1.27 112.346 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.416 ' H ' HG12 ' B' ' 22' ' ' VAL . 37.3 t70 -156.19 59.79 0.58 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.191 0.519 . . . . 3.0099999999999998 110.727 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -81.02 129.99 34.8 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.888 -0.782 . . . . 1.3200000000000001 108.888 175.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -100.97 -30.67 11.51 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.674 0.62 . . . . 1.8200000000000001 112.674 -170.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -146.12 145.8 30.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.836 0.35 . . . . 1.0 111.503 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.76 167.52 27.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.896 -0.593 . . . . 0.79000000000000004 110.611 177.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' B' ' 34' ' ' LYS . 27.3 m -99.68 119.72 38.56 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.974 -0.557 . . . . 1.01 110.606 178.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . 0.44 ' CG ' HH21 ' B' ' 100' ' ' ARG . 17.7 t70 -69.06 158.81 34.07 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.375 -0.829 . . . . 1.8400000000000001 110.038 177.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.8 tt -61.44 -20.89 23.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 116.089 -0.505 . . . . 1.3300000000000001 111.946 -176.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.469 ' HD2' ' NH2' ' B' ' 100' ' ' ARG . 97.0 mttt -85.09 -5.28 59.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.922 0.391 . . . . 2.2200000000000002 110.795 178.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.38 27.66 12.89 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.95 -0.643 . . . . 1.25 112.198 178.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' B' ' 29' ' ' THR . 75.3 mmtt -102.57 154.76 18.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.666 0.269 . . . . 2.1400000000000001 110.568 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -101.62 116.31 32.46 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.845 -0.798 . . . . 2.1899999999999999 108.845 174.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 24.8 m -125.39 151.48 31.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.198 0.523 . . . . 1.01 111.512 -174.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . 0.433 ' HB ' ' CG2' ' B' ' 92' ' ' THR . 41.7 m -81.87 119.79 24.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.221 -0.899 . . . . 1.04 109.636 176.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.506 ' HA ' HG22 ' B' ' 91' ' ' THR . 54.5 t -86.22 136.55 22.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 116.224 -0.444 . . . . 1.1000000000000001 110.689 -175.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 56.9 mt -109.39 108.09 18.5 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.225 -0.657 . . . . 1.9099999999999999 109.225 175.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.95 -25.94 65.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.36 0.6 . . . . 2.1800000000000002 110.056 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.459 ' HG2' ' HB3' ' B' ' 50' ' ' ARG . 30.4 mt-10 -106.74 114.59 28.78 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 114.909 -1.041 . . . . 3.5899999999999999 108.685 173.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.415 HG22 ' O ' ' B' ' 49' ' ' PHE . 19.4 m -90.63 123.29 42.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.334 0.588 . . . . 2.3900000000000001 110.304 -176.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -93.59 107.41 19.27 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.481 0.658 . . . . 3.25 109.81 178.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 59.7 mt -103.62 76.59 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.437 -0.579 . . . . 2.77 109.437 177.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 65.4 -82.23 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 114.941 -1.027 . . . . 3.8399999999999999 111.084 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -124.82 29.57 6.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.707 0.289 . . . . 4.7599999999999998 110.993 -178.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 22.0 m -147.06 115.38 6.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.796 0.332 . . . . 3.3300000000000001 110.36 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 61.3 t -101.99 121.71 53.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.979 0.419 . . . . 2.3799999999999999 110.75 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . 0.415 ' O ' HG22 ' B' ' 42' ' ' VAL . 78.4 m-85 -120.45 126.72 51.14 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.985 -0.552 . . . . 4.1299999999999999 110.048 178.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.459 ' HB3' ' HG2' ' B' ' 41' ' ' GLU . 8.5 ptp180 -104.13 141.0 37.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.912 0.387 . . . . 4.8399999999999999 110.918 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 -133.09 174.36 10.45 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.975 -0.557 . . . . 4.5599999999999996 109.784 177.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -120.98 136.26 55.02 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.22 -0.659 . . . . 2.4500000000000002 109.22 178.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -94.9 121.59 36.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.724 0.297 . . . . 1.1599999999999999 110.573 -177.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . 0.401 ' O ' HD12 ' B' ' 104' ' ' ILE . 13.6 p90 -83.97 107.1 16.14 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.392 0.615 . . . . 3.5600000000000001 110.985 -177.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -115.35 112.33 22.2 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.775 -0.648 . . . . 1.49 109.621 177.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.424 ' HA ' ' HA ' ' B' ' 19' ' ' SER . 24.5 m -105.59 104.59 14.34 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.262 0.554 . . . . 1.0700000000000001 110.097 178.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -102.54 169.99 8.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.657 -0.702 . . . . 2.48 109.657 -176.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' CYS . . . . . 0.417 ' HB2' HG23 ' B' ' 82' ' ' THR . 1.8 t -108.86 111.97 23.98 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.061 0.458 . . . . 1.73 110.249 -178.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . 0.504 ' NE ' ' HB ' ' B' ' 18' ' ' VAL . 88.7 mtt180 -68.05 -38.76 82.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.591 -0.732 . . . . 3.4900000000000002 110.408 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -121.42 105.37 10.44 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.047 -0.524 . . . . 2.5800000000000001 110.524 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . 0.44 ' HA ' ' HB2' ' B' ' 80' ' ' CYS . 5.4 p -71.67 -28.25 63.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.024 -0.534 . . . . 2.7599999999999998 110.352 178.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -139.15 74.7 35.72 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.517 -0.765 . . . . 2.5899999999999999 109.526 176.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -55.94 -36.41 95.71 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.623 2.216 . . . . 2.5699999999999998 112.338 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 35.7 m -119.02 162.2 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.688 -0.486 . . . . 2.5299999999999998 109.688 176.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -76.93 51.25 0.78 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.351 0.596 . . . . 4.2000000000000002 110.99 -177.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 19.6 m -160.88 -26.43 0.06 Allowed 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.191 -0.913 . . . . 3.8999999999999999 109.183 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.466 ' HA3' ' HB3' ' B' ' 78' ' ' SER . . . 138.17 -115.36 1.17 Allowed Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.892 -0.883 . . . . 2.6000000000000001 110.892 -177.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.443 ' SG ' HG12 ' B' ' 71' ' ' ILE . 14.1 p -90.66 149.59 22.02 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.158 -0.682 . . . . 1.74 109.158 176.081 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -67.14 118.42 10.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.286 -0.415 . . . . 3.9500000000000002 111.539 -173.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.17 -28.23 4.12 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 1.6000000000000001 112.619 176.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . 0.443 HG12 ' SG ' ' B' ' 68' ' ' CYS . 48.3 mm -70.47 142.53 15.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.752 0.31 . . . . 1.6499999999999999 111.673 -176.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -74.18 122.33 22.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.067 -0.515 . . . . 3.3199999999999998 110.399 176.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 3.1 m -70.12 -20.16 63.19 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.71 -0.677 . . . . 4.6299999999999999 112.37 -173.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -89.16 -43.11 11.27 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 121.141 -0.224 . . . . 3.0600000000000001 111.378 -174.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -89.21 -27.15 20.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.55 -0.296 . . . . 3.5099999999999998 111.615 -176.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -133.17 154.78 50.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.462 0.649 . . . . 3.1699999999999999 111.47 -174.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -121.93 134.32 54.84 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.92 -1.141 . . . . 2.7000000000000002 107.92 168.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.466 ' HB3' ' HA3' ' B' ' 67' ' ' GLY . 16.5 t -121.11 158.74 27.24 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.277 0.561 . . . . 1.9299999999999999 111.623 -170.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . 0.54 ' O ' HG22 ' B' ' 111' ' ' VAL . 73.7 t80 -155.47 136.52 13.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.343 -0.844 . . . . 3.73 109.153 177.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.83 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 61.4 m -91.29 110.93 22.23 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.014 0.435 . . . . 1.6699999999999999 110.11 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.438 ' HG1' ' HD1' ' B' ' 79' ' ' TYR . 24.2 m -113.56 135.16 54.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.873 -0.603 . . . . 2.25 111.065 -173.217 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.417 HG23 ' HB2' ' B' ' 58' ' ' CYS . 0.8 OUTLIER -81.63 122.06 27.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.022 0.439 . . . . 2.7799999999999998 111.834 176.34 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 11.3 p -78.51 157.36 28.88 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.913 -0.585 . . . . 2.6899999999999999 109.727 173.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -131.48 134.47 46.19 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.892 0.377 . . . . 3.71 110.737 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.675 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 13.5 t -121.94 168.2 12.17 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.999 -0.546 . . . . 1.48 109.746 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.464 ' CE1' ' HB3' ' B' ' 103' ' ' ARG . 95.7 m-85 -115.16 117.62 31.03 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.878 0.371 . . . . 1.75 110.732 -175.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 19.2 m -111.83 145.22 18.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.977 -0.556 . . . . 1.0800000000000001 110.964 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . 0.415 ' O ' ' HG3' ' B' ' 88' ' ' LYS . 11.4 pttm -79.03 111.76 15.56 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.552 0.691 . . . . 3.8199999999999998 110.706 177.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.03 149.53 50.81 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.523 -0.762 . . . . 1.1299999999999999 110.053 177.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 18.8 tp -76.49 108.45 9.47 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.362 -0.977 . . . . 1.45 108.362 174.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' THR . . . . . 0.506 HG22 ' HA ' ' B' ' 38' ' ' VAL . 60.3 p -125.57 159.16 32.79 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 116.399 -0.364 . . . . 1.1499999999999999 110.189 -175.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . 0.433 ' CG2' ' HB ' ' B' ' 37' ' ' THR . 10.1 t -125.85 125.99 43.75 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-O 121.379 0.609 . . . . 1.3200000000000001 110.341 177.271 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -79.3 -17.97 53.56 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.871 -0.604 . . . . 2.46 110.865 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -164.57 -58.54 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.592 -0.276 . . . . 3.0899999999999999 111.499 173.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -127.59 -51.57 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 122.184 -0.322 . . . . 3.2999999999999998 111.748 -176.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -77.81 135.18 37.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.62 -0.264 . . . . 2.7400000000000002 110.763 -177.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -92.71 129.78 38.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.439 -0.346 . . . . 1.4399999999999999 110.069 176.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.17 152.99 42.4 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.438 -0.346 . . . . 1.3899999999999999 110.976 -176.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -75.07 109.85 8.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.196 -0.457 . . . . 2.3500000000000001 110.422 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 100' ' ' ARG . . . . . 0.469 ' NH2' ' HD2' ' B' ' 32' ' ' LYS . 11.6 mmm180 -123.62 156.29 36.09 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.913 -0.585 . . . . 3.48 110.307 -177.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.438 ' HB3' ' HB3' ' B' ' 86' ' ' PHE . 93.0 m-85 -94.23 114.28 26.35 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.997 -0.547 . . . . 1.98 109.76 176.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 102' ' ' ILE . . . . . 0.438 ' O ' ' HA ' ' B' ' 86' ' ' PHE . 36.3 pt -113.57 147.32 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.745 0.307 . . . . 0.85999999999999999 110.826 -176.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . 0.675 ' HA ' ' O ' ' B' ' 85' ' ' THR . 39.8 ptt180 -87.99 129.46 35.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.426 0.632 . . . . 3.7200000000000002 111.449 -176.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 104' ' ' ILE . . . . . 0.401 HD12 ' O ' ' B' ' 54' ' ' PHE . 30.5 pt -129.13 154.71 40.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.271 -0.877 . . . . 0.82999999999999996 110.035 176.534 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -66.01 123.69 20.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.18 0.514 . . . . 1.6899999999999999 110.083 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 106' ' ' THR . . . . . 0.429 HG22 HG22 ' A' ' 106' ' ' THR . 2.1 m -94.26 -56.4 2.85 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.695 -0.684 . . . . 2.29 111.138 -172.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -163.27 158.15 21.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.32 -0.4 . . . . 1.1499999999999999 110.507 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . 0.83 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 51.0 t -96.46 119.26 34.62 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.804 -0.443 . . . . 1.5600000000000001 109.804 177.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' B' ' 80' ' ' CYS . 19.0 m -108.08 151.96 10.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.988 -0.551 . . . . 1.0800000000000001 110.9 -175.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 36.3 t -94.98 110.31 22.23 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.96 -0.563 . . . . 1.45 109.613 176.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.54 HG22 ' O ' ' B' ' 79' ' ' TYR . 15.6 m -93.96 153.44 3.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 110.187 -0.301 . . . . 1.52 110.187 179.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 61.3 mt -127.59 139.21 52.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.272 0.558 . . . . 1.6699999999999999 111.666 -178.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 13.2 p -127.1 142.96 51.39 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.183 -0.917 . . . . 2.6200000000000001 108.543 171.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 7.8 ppt_? . . . . . 0 C--N 1.328 -0.349 0 N-CA-C 112.133 0.42 . . . . 6.7199999999999998 112.133 -173.113 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 . . . . . 0 CA--C 1.52 -0.209 0 CA-C-O 120.969 0.414 . . . . 3.6499999999999999 111.269 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.2 t -150.58 144.1 25.07 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.753 -0.832 . . . . 2.4199999999999999 108.753 173.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.676 HG23 ' SG ' ' A' ' 110' ' ' CYS . 15.9 m -88.72 5.83 4.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.112 0.482 . . . . 1.4099999999999999 111.093 -178.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.538 ' HB2' ' SG ' ' A' ' 110' ' ' CYS . 34.3 t -143.94 152.2 40.78 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.57 -0.741 . . . . 1.75 109.46 176.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.61 114.48 3.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.992 0.425 . . . . 2.8700000000000001 110.733 -178.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.0 m -126.44 152.03 46.95 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.004 -0.544 . . . . 1.72 110.39 -176.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.503 ' HB ' ' NE ' ' A' ' 59' ' ' ARG . 7.4 p -129.19 120.3 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.427 -0.351 . . . . 1.51 110.43 174.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.414 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 50.0 m -97.82 111.72 23.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.959 0.409 . . . . 1.6599999999999999 110.286 179.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.3 t -119.45 138.1 51.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.133 -0.485 . . . . 1.03 110.849 -177.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -95.88 95.23 8.11 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.592 -0.892 . . . . 1.6100000000000001 108.592 171.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.9 t -80.29 120.41 31.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.639 -0.709 . . . . 0.95999999999999996 110.301 -175.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.504 ' HA2' ' O ' ' A' ' 51' ' ' GLN . . . -115.08 17.74 16.88 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.815 -0.707 . . . . 1.27 111.925 179.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -140.31 36.6 1.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 3.02 111.091 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.4 tttp -73.95 129.64 38.28 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.227 -0.657 . . . . 1.3200000000000001 109.227 178.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.6 p -101.03 -38.19 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.547 0.573 . . . . 1.8200000000000001 112.547 -172.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.97 139.31 30.6 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.776 0.322 . . . . 1.01 111.136 -178.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.22 163.84 35.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.011 -0.54 . . . . 0.79000000000000004 110.866 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.3 m -96.49 122.64 39.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.063 -0.517 . . . . 1.02 110.621 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -72.45 165.51 24.45 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.879 -0.6 . . . . 1.8500000000000001 110.022 176.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.1 tt -59.77 -26.93 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.81 0.338 . . . . 1.3300000000000001 111.119 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -80.48 -3.59 50.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.426 -0.352 . . . . 2.2200000000000002 111.025 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.72 10.49 60.18 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.99 -0.624 . . . . 1.25 112.385 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -86.54 137.07 32.81 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.741 0.305 . . . . 2.1400000000000001 111.283 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -85.04 114.16 21.99 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.742 -0.836 . . . . 2.1899999999999999 108.742 172.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.0 m -120.6 152.94 23.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 116.199 -0.455 . . . . 1.02 111.156 -176.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.481 ' HB ' ' CG2' ' A' ' 92' ' ' THR . 18.7 m -87.53 114.9 24.57 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.399 -0.819 . . . . 1.04 110.228 -178.129 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.492 ' HA ' HG22 ' A' ' 91' ' ' THR . 53.8 t -81.1 137.23 21.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 116.015 -0.539 . . . . 1.1000000000000001 110.209 -177.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.5 mt -99.2 113.1 25.18 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.362 -0.607 . . . . 1.9099999999999999 109.362 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.544 ' O ' ' HA ' ' A' ' 50' ' ' ARG . . . -65.61 -36.36 83.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.307 0.575 . . . . 2.1800000000000002 109.742 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -114.68 114.59 25.86 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.989 -1.005 . . . . 3.5899999999999999 108.702 176.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.618 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 34.3 m -104.1 132.11 51.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.988 0.423 . . . . 2.3999999999999999 111.394 -175.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -95.7 99.17 11.05 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.969 -0.559 . . . . 3.25 109.708 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.6 mt -115.45 100.13 9.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.284 -0.417 . . . . 2.77 110.076 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 57.71 50.32 10.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.419 0.628 . . . . 3.8399999999999999 110.021 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 63.8 20.77 12.38 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.197 -0.91 . . . . 4.7599999999999998 111.855 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.4 t -119.11 121.47 39.86 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.801 -0.814 . . . . 3.3300000000000001 108.801 175.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.618 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 46.8 t -103.48 109.9 28.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.092 0.472 . . . . 2.3700000000000001 111.313 -175.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.443 ' O ' HG22 ' A' ' 42' ' ' VAL . 63.9 m-85 -109.85 149.57 29.66 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.944 -0.571 . . . . 4.1299999999999999 109.902 175.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.544 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 20.4 ttm180 -97.78 136.81 37.58 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.944 0.402 . . . . 4.8399999999999999 110.148 177.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.504 ' O ' ' HA2' ' A' ' 23' ' ' GLY . 85.8 mm-40 -85.94 108.75 18.33 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.675 -0.693 . . . . 4.5599999999999996 111.329 -176.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -93.65 123.49 37.01 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.557 -0.534 . . . . 2.46 109.557 175.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -114.07 124.48 52.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.72 0.295 . . . . 1.1599999999999999 110.576 178.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.414 ' CE2' ' HB3' ' A' ' 19' ' ' SER . 84.4 t80 -84.57 97.05 9.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.101 -0.5 . . . . 3.5600000000000001 110.245 -178.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.501 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 39.8 mt-10 -106.31 110.0 22.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.076 -0.511 . . . . 1.49 110.608 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 52.5 m -96.43 98.45 10.26 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.941 -0.763 . . . . 1.0700000000000001 108.941 172.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.427 ' HA ' HG21 ' A' ' 82' ' ' THR . 23.4 mtpp -103.43 153.64 20.28 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.423 -0.808 . . . . 2.48 110.659 -169.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.644 ' SG ' HG23 ' A' ' 82' ' ' THR . 75.6 m -74.8 109.82 8.58 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.091 -0.504 . . . . 1.73 110.573 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.503 ' NE ' ' HB ' ' A' ' 18' ' ' VAL . 66.1 mtt180 -67.75 -50.6 56.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.179 -0.464 . . . . 3.48 110.372 176.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -148.02 96.5 2.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.701 -0.681 . . . . 2.5800000000000001 110.394 -178.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.1 p -66.48 140.64 58.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.979 -0.555 . . . . 2.7599999999999998 110.569 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.692 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 14.9 m120 68.31 70.94 0.41 Allowed Pre-proline 0 N--CA 1.465 0.311 0 O-C-N 123.609 0.568 . . . . 2.5899999999999999 110.905 -178.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -62.55 -27.44 76.63 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.388 2.059 . . . . 2.5699999999999998 111.692 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.7 m -112.32 163.59 9.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.893 -0.594 . . . . 2.5299999999999998 109.495 176.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -80.45 58.37 3.14 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.954 0.407 . . . . 4.1900000000000004 111.357 -175.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.5 p -170.12 -66.56 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.67 -0.695 . . . . 3.8999999999999999 109.98 179.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.692 ' O ' ' HA ' ' A' ' 62' ' ' ASN . . . -151.78 -84.43 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.859 -0.609 . . . . 2.6000000000000001 112.138 179.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 74.1 m -140.44 173.4 11.54 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.676 0.274 . . . . 1.73 111.045 -178.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 69' ' ' ARG . 44.2 mtt180 -72.92 136.26 45.19 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.848 -0.427 . . . . 3.9399999999999999 109.848 -178.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.49 -46.2 3.46 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.822 -0.704 . . . . 1.6100000000000001 112.028 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.675 HG22 ' H ' ' A' ' 72' ' ' ASP . 9.8 mm -76.14 178.9 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.574 -0.528 . . . . 1.6499999999999999 109.574 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.675 ' H ' HG22 ' A' ' 71' ' ' ILE . 15.1 m-20 69.26 70.11 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.341 0.591 . . . . 3.3199999999999998 111.055 173.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.3 m -117.56 -66.85 1.04 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.66 -0.7 . . . . 4.6299999999999999 110.471 178.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -126.61 -60.99 1.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.076 0.398 . . . . 3.0600000000000001 112.076 -175.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -113.14 5.58 17.13 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.489 0.552 . . . . 3.5099999999999998 112.489 -172.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.509 ' O ' ' HA ' ' A' ' 72' ' ' ASP . 74.6 m95 -123.21 137.66 54.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.162 0.506 . . . . 3.1699999999999999 111.411 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.437 ' HA ' ' OD1' ' A' ' 72' ' ' ASP . 6.4 t30 -124.79 134.89 52.61 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.015 -0.993 . . . . 2.6899999999999999 108.324 174.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.484 ' OG ' ' HB3' ' A' ' 110' ' ' CYS . 5.9 t -115.84 173.18 6.7 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.227 0.537 . . . . 1.9299999999999999 111.975 -173.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -170.94 140.16 1.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.315 -0.857 . . . . 3.73 109.484 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.532 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 7.2 m -86.09 119.15 26.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.813 0.339 . . . . 1.6699999999999999 110.759 -177.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.3 m -133.45 133.33 42.16 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.124 -0.489 . . . . 2.2400000000000002 109.784 178.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.644 HG23 ' SG ' ' A' ' 58' ' ' CYS . 5.8 p -79.91 120.58 24.32 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.842 0.353 . . . . 2.7799999999999998 110.613 177.276 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.0 t -76.09 153.49 36.29 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.299 -1.0 . . . . 2.6899999999999999 108.299 173.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -122.13 130.21 53.03 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.906 0.384 . . . . 3.71 111.161 -172.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.624 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 10.2 t -114.26 158.84 20.86 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.375 -0.602 . . . . 1.48 109.375 177.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -106.63 115.83 30.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.018 0.437 . . . . 1.75 110.054 -178.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.3 m -110.23 139.29 34.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.975 -0.557 . . . . 1.0800000000000001 111.067 -177.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.513 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 20.6 pttm -68.19 114.44 6.69 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.418 0.628 . . . . 3.8199999999999998 110.702 178.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.4 142.74 50.73 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.697 -0.683 . . . . 1.1299999999999999 110.341 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.2 tp -79.93 104.43 10.5 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 108.571 -0.9 . . . . 1.45 108.571 174.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.492 HG22 ' HA ' ' A' ' 38' ' ' VAL . 72.1 p -117.65 152.47 35.13 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.879 -0.6 . . . . 1.1399999999999999 109.948 -175.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.481 ' CG2' ' HB ' ' A' ' 37' ' ' THR . 10.2 t -96.4 114.21 25.87 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.657 0.742 . . . . 1.3200000000000001 109.225 177.165 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -63.66 -33.81 76.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 114.871 -1.059 . . . . 2.4700000000000002 109.878 -177.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -157.4 -63.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.035 -0.984 . . . . 3.0899999999999999 108.709 173.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -139.8 27.59 2.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.806 -0.634 . . . . 3.29 109.667 173.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -136.72 118.81 15.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.448 -0.797 . . . . 2.7400000000000002 109.862 -177.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.45 122.34 21.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.84 -0.618 . . . . 1.4399999999999999 110.363 177.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.02 145.71 33.17 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.227 -0.442 . . . . 1.3799999999999999 110.459 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -74.88 114.48 13.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.09 0.471 . . . . 2.3500000000000001 110.881 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.513 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 33.4 mmt180 -114.07 173.29 6.51 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.457 -0.792 . . . . 3.48 109.578 176.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -119.48 107.96 13.96 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.324 -0.991 . . . . 1.98 108.324 176.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 39.7 pt -111.53 143.45 21.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.281 0.562 . . . . 0.85999999999999999 111.45 -169.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.624 ' HA ' ' O ' ' A' ' 85' ' ' THR . 26.5 ptt180 -77.9 126.24 30.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.142 -0.936 . . . . 3.71 111.247 -176.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 46.3 pt -125.26 148.9 29.68 Favored 'Isoleucine or valine' 0 C--O 1.243 0.758 0 CA-C-N 115.521 -0.763 . . . . 0.82999999999999996 110.015 173.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.501 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 30.5 m-20 -66.25 110.19 2.94 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.747 -0.66 . . . . 1.6899999999999999 109.26 176.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -90.98 -42.64 10.44 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.932 -0.576 . . . . 2.29 111.395 -170.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.492 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -158.08 140.25 14.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.262 -0.427 . . . . 1.1399999999999999 110.86 -178.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.532 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 41.9 t -90.46 98.91 12.06 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.668 -0.864 . . . . 1.5600000000000001 108.668 176.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 m -101.06 151.72 5.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.124 -0.489 . . . . 1.0700000000000001 110.96 -172.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.676 ' SG ' HG23 ' A' ' 14' ' ' VAL . 67.1 m -96.46 109.0 21.64 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.755 -0.461 . . . . 1.45 109.755 175.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.6 m -71.78 165.06 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.434 -0.803 . . . . 1.52 110.705 -177.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.5 mt -119.64 136.77 54.25 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.079 0.466 . . . . 1.6699999999999999 109.888 174.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.1 t -131.45 141.34 49.78 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.678 -0.86 . . . . 2.6200000000000001 108.678 173.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 116.603 -0.271 . . . . 6.7300000000000004 110.546 -177.823 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 . . . . . 0 CA--C 1.52 -0.202 0 CA-C-O 120.994 0.426 . . . . 3.6499999999999999 111.237 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 23.6 t -150.34 144.44 25.51 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.776 -0.824 . . . . 2.4199999999999999 108.776 173.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.666 HG23 ' SG ' ' B' ' 110' ' ' CYS . 15.9 m -88.87 6.03 4.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.085 0.469 . . . . 1.4099999999999999 111.148 -178.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.546 ' HB2' ' SG ' ' B' ' 110' ' ' CYS . 34.7 t -144.14 152.2 40.58 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.559 -0.746 . . . . 1.75 109.41 176.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.64 114.56 3.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.0 0.428 . . . . 2.8700000000000001 110.717 -178.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 15.9 m -126.71 151.76 47.71 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.874 -0.603 . . . . 1.72 110.607 -176.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.502 ' HB ' ' NE ' ' B' ' 59' ' ' ARG . 7.3 p -129.15 120.16 50.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.879 0.371 . . . . 1.51 110.401 175.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.41 ' HB3' ' CE2' ' B' ' 54' ' ' PHE . 50.7 m -97.38 111.74 23.87 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.937 0.399 . . . . 1.6599999999999999 110.26 179.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 55.3 t -119.56 137.79 52.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.158 -0.473 . . . . 1.03 110.779 -177.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -95.62 95.28 8.25 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.773 -0.825 . . . . 1.6100000000000001 108.773 170.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 48.7 t -80.3 120.5 31.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.551 -0.75 . . . . 0.95999999999999996 110.267 -175.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.49 ' HA2' ' O ' ' B' ' 51' ' ' GLN . . . -115.04 17.84 16.89 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.755 -0.736 . . . . 1.27 111.996 179.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -140.56 37.26 1.84 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.921 0.391 . . . . 3.0099999999999998 111.036 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -74.39 129.45 37.79 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.159 -0.682 . . . . 1.3200000000000001 109.159 178.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 40.0 p -100.74 -38.07 8.45 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.46 0.541 . . . . 1.8200000000000001 112.46 -172.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.96 139.5 30.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.797 0.332 . . . . 1.0 111.213 -178.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.3 164.09 34.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.115 -0.493 . . . . 0.79000000000000004 110.951 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 2.4 m -96.82 122.68 40.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.089 -0.505 . . . . 1.01 110.572 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -72.62 165.14 25.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.795 -0.639 . . . . 1.8400000000000001 109.94 176.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.1 tt -59.68 -26.47 35.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-O 121.001 0.429 . . . . 1.3300000000000001 111.214 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -80.69 -3.8 52.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.344 -0.389 . . . . 2.2200000000000002 110.935 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.55 10.72 60.17 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.87 -0.681 . . . . 1.25 112.334 177.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -86.62 137.14 32.72 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.754 0.312 . . . . 2.1400000000000001 111.221 -178.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -85.15 114.02 21.96 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.901 -0.777 . . . . 2.1899999999999999 108.901 172.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 16.7 m -120.41 152.6 23.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 120.989 0.423 . . . . 1.01 111.181 -176.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . 0.47 ' HB ' ' CG2' ' B' ' 92' ' ' THR . 19.3 m -87.0 114.76 23.88 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.409 -0.814 . . . . 1.04 110.182 -178.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.481 ' HA ' HG22 ' B' ' 91' ' ' THR . 54.4 t -80.7 137.71 20.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.922 -0.581 . . . . 1.1000000000000001 110.122 -177.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 69.3 mt -99.51 113.56 26.03 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.273 -0.64 . . . . 1.9099999999999999 109.273 177.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.545 ' O ' ' HA ' ' B' ' 50' ' ' ARG . . . -65.71 -36.38 83.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.293 0.568 . . . . 2.1800000000000002 109.865 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -114.59 114.91 26.34 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.921 -1.036 . . . . 3.5899999999999999 108.755 176.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.623 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 34.5 m -104.56 132.45 51.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.068 0.461 . . . . 2.3900000000000001 111.237 -175.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -96.04 99.05 10.85 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.737 -0.665 . . . . 3.25 109.827 177.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 65.7 mt -115.42 100.1 9.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.143 -0.481 . . . . 2.77 110.063 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 57.73 50.46 10.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.798 -0.637 . . . . 3.8399999999999999 110.033 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 63.89 20.14 12.07 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.106 -0.952 . . . . 4.7599999999999998 111.939 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 32.2 t -118.73 121.72 40.78 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.986 -0.746 . . . . 3.3300000000000001 108.986 175.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.623 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 47.2 t -103.61 109.39 26.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.957 0.408 . . . . 2.3799999999999999 111.4 -175.07 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . 0.446 ' O ' HG22 ' B' ' 42' ' ' VAL . 64.0 m-85 -109.5 149.43 29.61 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.009 -0.542 . . . . 4.1299999999999999 109.95 175.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.545 ' HA ' ' O ' ' B' ' 40' ' ' ALA . 20.5 ttm180 -97.5 137.0 37.12 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.86 0.362 . . . . 4.8399999999999999 110.169 177.219 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.49 ' O ' ' HA2' ' B' ' 23' ' ' GLY . 85.9 mm-40 -86.06 108.51 18.3 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.642 -0.708 . . . . 4.5599999999999996 111.375 -176.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -93.61 123.53 37.0 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.649 -0.5 . . . . 2.4500000000000002 109.649 175.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -114.03 124.66 52.67 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.668 0.27 . . . . 1.1599999999999999 110.664 178.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . 0.41 ' CE2' ' HB3' ' B' ' 19' ' ' SER . 84.4 t80 -84.67 97.08 9.44 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.16 -0.473 . . . . 3.5600000000000001 110.201 -178.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . 0.503 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 39.4 mt-10 -106.45 109.91 21.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.95 -0.568 . . . . 1.49 110.523 179.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 53.4 m -96.48 98.54 10.31 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.846 -0.798 . . . . 1.0700000000000001 108.846 173.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . 0.437 ' HA ' HG21 ' B' ' 82' ' ' THR . 23.5 mtpp -103.56 153.89 20.09 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.423 -0.808 . . . . 2.48 110.614 -169.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' CYS . . . . . 0.647 ' SG ' HG23 ' B' ' 82' ' ' THR . 75.4 m -75.12 109.84 8.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.085 -0.507 . . . . 1.73 110.609 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . 0.502 ' NE ' ' HB ' ' B' ' 18' ' ' VAL . 65.9 mtt180 -67.85 -50.2 57.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.021 -0.536 . . . . 3.4900000000000002 110.477 176.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -148.25 96.82 2.68 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.737 -0.665 . . . . 2.5800000000000001 110.277 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 16.7 p -67.0 140.36 57.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.033 -0.531 . . . . 2.7599999999999998 110.533 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . 0.696 ' HA ' ' O ' ' B' ' 67' ' ' GLY . 14.8 m120 68.6 70.72 0.4 Allowed Pre-proline 0 N--CA 1.466 0.33 0 O-C-N 123.657 0.598 . . . . 2.5899999999999999 110.849 -178.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -62.09 -27.97 79.57 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.498 2.132 . . . . 2.5699999999999998 111.642 177.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 34.6 m -111.83 163.88 8.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.67 -0.696 . . . . 2.5299999999999998 109.437 176.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -80.77 57.05 2.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.02 0.438 . . . . 4.2000000000000002 111.346 -175.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 10.1 p -169.21 -66.31 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.868 -0.606 . . . . 3.8999999999999999 109.754 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.696 ' O ' ' HA ' ' B' ' 62' ' ' ASN . . . -151.76 -84.2 0.04 OUTLIER Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.891 -0.671 . . . . 2.6000000000000001 112.113 179.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 77.2 m -140.56 173.11 11.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.799 0.333 . . . . 1.74 111.104 -178.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -72.63 135.96 45.6 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.848 -0.427 . . . . 3.9500000000000002 109.848 -178.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.84 -46.4 3.43 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.727 -0.749 . . . . 1.6000000000000001 111.969 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . 0.678 HG22 ' H ' ' B' ' 72' ' ' ASP . 9.6 mm -76.36 178.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.618 -0.512 . . . . 1.6499999999999999 109.618 179.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . 0.678 ' H ' HG22 ' B' ' 71' ' ' ILE . 14.8 m-20 69.93 69.74 0.23 Allowed 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.353 0.597 . . . . 3.3199999999999998 111.111 173.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 15.4 m -117.07 -67.01 1.02 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.608 -0.724 . . . . 4.6299999999999999 110.493 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -126.7 -60.89 1.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.935 0.346 . . . . 3.0600000000000001 111.935 -175.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -113.48 5.92 16.89 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.534 0.568 . . . . 3.5099999999999998 112.534 -172.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' TRP . . . . . 0.518 ' O ' ' HA ' ' B' ' 72' ' ' ASP . 75.0 m95 -123.38 137.58 54.79 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.234 0.54 . . . . 3.1699999999999999 111.386 179.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' ASN . . . . . 0.437 ' HA ' ' OD1' ' B' ' 72' ' ' ASP . 6.6 t30 -124.76 135.05 52.64 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.021 -0.99 . . . . 2.7000000000000002 108.425 174.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.489 ' OG ' ' HB3' ' B' ' 110' ' ' CYS . 5.8 t -115.67 173.53 6.49 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.29 0.567 . . . . 1.9299999999999999 112.188 -173.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -171.31 140.09 1.4 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.28 -0.873 . . . . 3.73 109.478 178.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.539 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 7.1 m -86.02 119.16 26.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.897 0.379 . . . . 1.6699999999999999 110.781 -177.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 26.9 m -133.53 133.29 41.96 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.087 -0.506 . . . . 2.25 109.752 178.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.647 HG23 ' SG ' ' B' ' 58' ' ' CYS . 6.8 p -80.05 120.45 24.24 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-O 120.789 0.328 . . . . 2.7799999999999998 110.692 177.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 14.9 t -76.03 153.33 36.52 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.131 -1.063 . . . . 2.6899999999999999 108.131 174.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -121.89 130.11 53.1 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 120.967 0.413 . . . . 3.71 111.308 -172.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.632 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 10.3 t -114.0 158.89 20.58 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.366 -0.605 . . . . 1.48 109.366 177.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.411 ' HB3' ' HB3' ' B' ' 101' ' ' PHE . 95.6 m-85 -106.53 115.94 31.07 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.956 0.408 . . . . 1.75 109.983 -178.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 16.2 m -110.39 139.5 33.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.937 -0.574 . . . . 1.0800000000000001 110.955 -177.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . 0.52 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 20.7 pttm -68.38 114.43 6.82 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.835 -0.62 . . . . 3.8199999999999998 110.719 178.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.53 142.83 50.68 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.687 -0.688 . . . . 1.1299999999999999 110.195 178.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 23.3 tp -79.86 104.32 10.36 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.598 -0.89 . . . . 1.45 108.598 174.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' THR . . . . . 0.481 HG22 ' HA ' ' B' ' 38' ' ' VAL . 71.1 p -117.65 152.49 35.08 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.033 -0.53 . . . . 1.1499999999999999 110.004 -175.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . 0.47 ' CG2' ' HB ' ' B' ' 37' ' ' THR . 10.0 t -96.36 114.15 25.8 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.531 0.682 . . . . 1.3200000000000001 109.314 177.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -63.85 -32.89 74.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.024 -0.989 . . . . 2.46 110.072 -177.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -158.19 -64.29 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.004 -0.998 . . . . 3.0899999999999999 108.536 173.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -139.54 27.89 2.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.865 -0.607 . . . . 3.2999999999999998 109.56 173.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -137.09 118.74 14.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.376 -0.829 . . . . 2.7400000000000002 109.918 -177.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.82 122.15 21.1 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.103 -0.499 . . . . 1.4399999999999999 110.431 177.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.91 145.73 33.35 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.073 -0.512 . . . . 1.3899999999999999 110.493 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -74.79 114.22 12.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.14 -0.482 . . . . 2.3500000000000001 111.05 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 100' ' ' ARG . . . . . 0.52 ' O ' ' HA ' ' B' ' 88' ' ' LYS . 33.5 mmt180 -114.0 173.38 6.46 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.509 -0.769 . . . . 3.48 109.498 176.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.411 ' HB3' ' HB3' ' B' ' 86' ' ' PHE . 95.4 m-85 -119.63 108.0 13.93 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.373 -0.973 . . . . 1.98 108.373 176.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 39.8 pt -111.53 143.32 21.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.291 0.567 . . . . 0.85999999999999999 111.457 -169.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . 0.632 ' HA ' ' O ' ' B' ' 85' ' ' THR . 26.2 ptt180 -77.77 126.49 30.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.15 -0.932 . . . . 3.7200000000000002 111.222 -176.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 46.4 pt -125.54 148.84 30.02 Favored 'Isoleucine or valine' 0 C--O 1.244 0.805 0 CA-C-N 115.647 -0.706 . . . . 0.82999999999999996 110.033 173.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . 0.503 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 32.5 m-20 -66.09 110.05 2.82 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.18 -0.674 . . . . 1.6899999999999999 109.18 176.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -91.03 -42.71 10.37 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.97 -0.559 . . . . 2.29 111.377 -170.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . 0.503 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -157.83 140.56 14.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.319 -0.4 . . . . 1.1499999999999999 110.704 -178.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . 0.539 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 42.0 t -90.69 98.97 12.09 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.694 -0.854 . . . . 1.5600000000000001 108.694 176.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 m -101.0 151.69 5.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.011 -0.541 . . . . 1.0800000000000001 110.955 -173.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.666 ' SG ' HG23 ' B' ' 14' ' ' VAL . 66.7 m -96.44 109.09 21.71 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.11 -0.496 . . . . 1.45 109.761 175.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 12.6 m -72.0 164.88 3.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.458 -0.792 . . . . 1.52 110.712 -177.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 69.2 mt -119.38 136.9 54.06 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.026 0.441 . . . . 1.6699999999999999 109.986 174.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 43.3 t -131.58 141.15 49.61 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 108.603 -0.888 . . . . 2.6200000000000001 108.603 173.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 116.468 -0.333 . . . . 6.7199999999999998 110.549 -177.831 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 . . . . . 0 CA--C 1.519 -0.215 0 CA-C-O 121.195 0.522 . . . . 3.6499999999999999 110.648 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 m -61.36 118.72 7.29 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.439 -0.8 . . . . 2.4199999999999999 110.041 177.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.8 m -57.87 -30.31 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.134 0 CA-C-O 120.952 0.406 . . . . 1.4099999999999999 110.933 177.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.463 ' SG ' ' HB3' ' A' ' 60' ' ' ALA . 43.4 t -109.58 129.45 55.58 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.964 -0.562 . . . . 1.75 109.998 177.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -67.36 116.37 8.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.141 -0.481 . . . . 2.8700000000000001 110.151 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.8 p -132.01 155.57 47.78 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.923 -0.581 . . . . 1.72 110.587 -177.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 56' ' ' THR . 7.1 p -122.83 115.89 47.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.082 0.468 . . . . 1.51 110.893 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.0 m -89.46 119.71 30.15 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.576 -0.527 . . . . 1.6599999999999999 109.576 175.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 54' ' ' PHE . 53.7 t -118.31 137.48 52.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.092 -0.504 . . . . 1.03 110.973 -174.176 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.422 ' HA ' ' O ' ' A' ' 53' ' ' PHE . 97.6 m95 -95.08 96.91 9.55 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.826 -0.805 . . . . 1.6100000000000001 108.826 173.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.4 t -78.79 136.11 24.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.238 -0.892 . . . . 0.95999999999999996 110.288 -174.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.12 65.37 2.66 Favored Glycine 0 N--CA 1.45 -0.376 0 O-C-N 123.721 0.638 . . . . 1.27 112.616 -178.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 73.74 0.18 3.55 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.52 0.728 . . . . 3.02 112.018 172.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.3 tttt 51.85 -139.63 0.96 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.159 -0.473 . . . . 1.3200000000000001 110.72 176.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.2 m -147.05 -51.07 0.2 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.123 -0.361 . . . . 1.8200000000000001 110.822 176.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.0 p -133.06 146.3 51.55 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.486 -0.325 . . . . 1.01 110.596 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.39 164.56 29.9 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.327 -0.397 . . . . 0.79000000000000004 110.719 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.9 m -103.95 118.91 37.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.407 -0.361 . . . . 1.02 110.693 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -69.42 162.41 27.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.693 -0.685 . . . . 1.8500000000000001 110.204 177.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.0 tt -59.64 -25.83 32.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.889 0.376 . . . . 1.3300000000000001 111.419 -178.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -79.54 -6.29 56.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.783 0.325 . . . . 2.2200000000000002 111.116 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.94 20.58 39.01 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.867 -0.682 . . . . 1.25 111.926 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -95.19 131.78 40.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.565 0.221 . . . . 2.1400000000000001 110.653 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -84.05 115.09 22.18 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.863 -0.791 . . . . 2.1899999999999999 108.863 174.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.9 m -117.55 154.99 19.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 116.096 -0.502 . . . . 1.02 110.867 -175.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.2 m -91.75 128.36 37.56 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.726 -0.67 . . . . 1.04 110.043 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.512 ' HA ' HG22 ' A' ' 91' ' ' THR . 36.5 t -90.55 141.48 14.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.296 -0.411 . . . . 1.1000000000000001 110.017 -179.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.2 mt -86.34 126.76 34.57 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.979 -0.555 . . . . 1.9099999999999999 109.804 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.3 -25.78 67.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.451 0.643 . . . . 2.1800000000000002 109.89 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -137.13 125.28 23.01 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.868 -1.06 . . . . 3.5899999999999999 108.674 172.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 49' ' ' PHE . 31.6 m -89.61 126.74 42.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.285 0.564 . . . . 2.3999999999999999 110.396 -176.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -83.53 98.43 9.55 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.896 0.855 . . . . 3.25 110.624 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.8 mm -106.17 152.6 7.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 N-CA-C 107.702 -1.222 . . . . 2.77 107.702 175.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -54.89 108.51 0.4 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.778 0.323 . . . . 3.8399999999999999 111.097 -175.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 66.37 29.16 9.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.196 -0.911 . . . . 4.7599999999999998 111.685 178.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.4 t -161.83 115.3 1.86 Allowed 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 121.038 0.446 . . . . 3.3300000000000001 110.937 176.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.7 t -116.44 114.66 46.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 110.005 -0.369 . . . . 2.3700000000000001 110.005 177.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.444 ' O ' HG22 ' A' ' 42' ' ' VAL . 47.4 p90 -144.59 164.59 30.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.801 0.334 . . . . 4.1299999999999999 111.079 -175.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -84.23 146.01 28.03 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.017 -0.735 . . . . 4.8399999999999999 109.017 175.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.428 ' HB2' ' CE ' ' B' ' 88' ' ' LYS . 1.5 pp0? -109.65 -15.3 14.19 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.288 -0.565 . . . . 4.5599999999999996 112.513 -173.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 61.17 166.81 0.09 Allowed 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.255 0.835 . . . . 2.46 113.255 171.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.422 ' O ' ' HA ' ' A' ' 21' ' ' TRP . 40.8 m-85 -140.75 160.62 39.65 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.488 -0.778 . . . . 1.1599999999999999 110.085 172.188 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.416 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 14.1 p90 -126.43 112.99 16.27 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.103 0.477 . . . . 3.5600000000000001 109.817 176.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 32.3 mt-10 -121.89 124.12 43.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.267 -0.424 . . . . 1.49 110.385 -178.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 66.3 m -100.78 113.23 25.96 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.123 -0.489 . . . . 1.0700000000000001 109.766 177.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -103.47 140.83 36.96 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.977 -0.556 . . . . 2.48 110.419 -175.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 77.3 m -76.89 106.69 8.72 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.182 -0.463 . . . . 1.73 110.511 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -75.85 -32.32 59.7 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.217 -0.66 . . . . 3.48 109.217 175.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.476 ' HB1' ' O ' ' A' ' 66' ' ' SER . . . -92.84 140.74 29.19 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.021 -0.99 . . . . 2.5800000000000001 109.249 173.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.4 m -149.12 11.53 0.82 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.593 0.235 . . . . 2.7599999999999998 111.577 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.401 ' O ' ' HA3' ' A' ' 67' ' ' GLY . 6.9 t30 -109.0 134.48 20.37 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 109.178 -0.675 . . . . 2.5899999999999999 109.178 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' A' ' 78' ' ' SER . 2.8 Cg_exo -34.9 -62.56 0.2 Allowed 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 124.225 3.283 . . . . 2.5699999999999998 114.615 -173.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.406 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 58.5 t -123.27 -55.29 2.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 121.036 -0.266 . . . . 2.5299999999999998 111.559 -176.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -45.31 -42.81 10.15 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 123.855 0.722 . . . . 4.1900000000000004 112.141 -175.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.476 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 21.6 t -138.68 62.76 1.54 Allowed 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.774 -0.825 . . . . 3.8999999999999999 108.774 176.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 62' ' ' ASN . . . -175.27 -118.05 0.51 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.849 -0.691 . . . . 2.6000000000000001 112.59 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 86.0 m -84.94 74.76 10.46 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.552 0.691 . . . . 1.73 111.42 -172.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 64' ' ' VAL . 10.8 mtm180 -67.2 126.21 28.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.34 -0.846 . . . . 3.9399999999999999 109.931 175.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.38 -32.92 3.12 Favored Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 111.213 -0.755 . . . . 1.6100000000000001 111.213 -174.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.0 mm -75.67 122.93 30.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 1.6499999999999999 110.11 177.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -142.9 86.84 1.95 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.014 0.435 . . . . 3.3199999999999998 110.662 -177.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.4 t -157.24 150.77 24.11 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.867 -0.606 . . . . 4.6299999999999999 109.813 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -93.87 3.15 55.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.256 0.55 . . . . 3.0600000000000001 109.895 177.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -102.66 -8.33 21.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.542 -0.754 . . . . 3.5099999999999998 110.415 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.492 ' CE3' ' HB3' ' A' ' 112' ' ' LEU . 83.8 m95 -122.93 140.89 52.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.037 -0.529 . . . . 3.1699999999999999 111.551 -174.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -118.93 135.05 54.79 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.967 -1.123 . . . . 2.6899999999999999 107.967 167.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 63' ' ' PRO . 11.0 t -125.28 153.97 42.43 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.696 -0.402 . . . . 1.9299999999999999 111.117 -172.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -173.82 174.38 3.09 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.466 -0.788 . . . . 3.73 109.305 175.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.514 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 35.5 m -103.38 138.92 39.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.196 -0.456 . . . . 1.6699999999999999 110.732 -176.039 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 61.9 m -131.66 133.6 45.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.435 -0.348 . . . . 2.2400000000000002 110.666 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.455 ' HB ' ' HB3' ' A' ' 105' ' ' ASP . 23.3 p -83.71 126.09 32.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.01 0.433 . . . . 2.7799999999999998 110.7 177.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.8 p -90.15 128.9 36.46 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.225 -0.443 . . . . 2.6899999999999999 110.57 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.439 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 10.8 p-80 -99.84 131.07 46.04 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.152 0.501 . . . . 3.71 110.86 -178.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.57 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 12.4 t -117.16 162.66 17.5 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.962 -0.755 . . . . 1.48 108.962 178.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.4 ' HA ' ' O ' ' A' ' 102' ' ' ILE . 85.0 m-85 -103.36 116.19 31.96 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.954 0.406 . . . . 1.75 110.084 -177.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.5 m -110.27 146.58 15.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.879 -0.6 . . . . 1.0800000000000001 111.306 -176.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.463 ' CE ' ' HB2' ' B' ' 51' ' ' GLN . 15.4 pttm -75.76 106.68 7.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.28 -0.873 . . . . 3.8199999999999998 110.871 177.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.16 137.67 51.31 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.952 -0.567 . . . . 1.1299999999999999 110.722 178.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.414 ' HG ' ' HB1' ' A' ' 97' ' ' ALA . 20.0 tp -75.03 104.17 5.5 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.231 -0.655 . . . . 1.45 109.231 177.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.512 HG22 ' HA ' ' A' ' 38' ' ' VAL . 48.9 p -127.1 163.48 23.7 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.956 -0.565 . . . . 1.1399999999999999 110.202 -175.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.2 t -110.4 111.07 22.11 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.394 0.616 . . . . 1.3200000000000001 110.603 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -91.74 3.18 55.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.487 -0.779 . . . . 2.4700000000000002 110.95 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -161.74 -75.78 0.05 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.175 -0.466 . . . . 3.0899999999999999 109.907 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -140.26 -56.98 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.726 -0.472 . . . . 3.29 109.726 174.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -65.66 160.18 23.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.06 -0.518 . . . . 2.7400000000000002 110.016 176.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.414 ' HB1' ' HG ' ' A' ' 90' ' ' LEU . . . -107.06 138.05 43.98 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.238 -0.437 . . . . 1.4399999999999999 110.619 -178.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.73 150.79 40.57 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.224 -0.444 . . . . 1.3799999999999999 110.61 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -74.31 99.31 3.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.133 -0.485 . . . . 2.3500000000000001 110.101 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -99.73 164.29 12.11 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.631 -0.713 . . . . 3.48 109.68 -178.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -105.52 104.1 13.75 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.232 -0.655 . . . . 1.98 109.232 177.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 23.9 pt -112.74 145.82 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.058 -0.519 . . . . 0.85999999999999999 111.384 -171.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.57 ' HA ' ' O ' ' A' ' 85' ' ' THR . 7.0 ptm180 -79.68 119.32 22.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.616 -0.72 . . . . 3.71 111.804 -176.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.439 ' O ' ' HA ' ' A' ' 84' ' ' HIS . 47.9 pt -121.01 143.24 33.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.8 -0.637 . . . . 0.82999999999999996 109.504 170.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.455 ' HB3' ' HB ' ' A' ' 82' ' ' THR . 2.7 m-20 -76.24 98.14 4.37 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.253 -0.647 . . . . 1.6899999999999999 109.253 178.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.9 t -93.9 -20.86 19.63 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.368 0.507 . . . . 2.29 112.368 -167.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.447 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -147.5 161.39 41.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.922 0.392 . . . . 1.1399999999999999 111.516 -176.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.514 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 40.4 t -123.1 110.68 15.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.59 -0.732 . . . . 1.5600000000000001 109.039 177.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.0 m -103.77 151.38 6.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.134 -0.485 . . . . 1.0700000000000001 111.305 -173.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 36.7 t -94.21 121.27 35.54 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.465 -0.789 . . . . 1.45 108.873 174.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.7 m -114.07 156.25 15.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.89 0.376 . . . . 1.52 111.559 -176.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.492 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . 81.5 mt -122.68 137.63 54.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.865 -0.607 . . . . 1.6699999999999999 109.816 173.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 48.1 t -122.89 141.83 51.46 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.815 -0.439 . . . . 2.6200000000000001 109.815 178.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 115.656 -0.702 . . . . 6.7300000000000004 110.126 -179.162 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 . . . . . 0 CA--C 1.521 -0.172 0 CA-C-O 121.215 0.531 . . . . 3.6499999999999999 110.644 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 5.0 m -61.19 118.41 6.8 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.409 -0.814 . . . . 2.4199999999999999 110.07 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.2 m -57.73 -30.44 37.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-O 120.996 0.427 . . . . 1.4099999999999999 110.862 177.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.458 ' SG ' ' HB3' ' B' ' 60' ' ' ALA . 44.2 t -109.25 129.26 55.51 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.889 -0.596 . . . . 1.75 109.921 177.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -67.38 117.28 9.15 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.145 -0.48 . . . . 2.8700000000000001 110.196 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 12.3 p -132.76 155.79 48.25 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.938 -0.573 . . . . 1.72 110.537 -177.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' B' ' 56' ' ' THR . 7.1 p -123.11 116.03 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-O 121.221 0.534 . . . . 1.51 110.774 179.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 48.8 m -89.66 119.64 30.25 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.667 -0.494 . . . . 1.6599999999999999 109.667 175.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' B' ' 54' ' ' PHE . 57.3 t -118.34 137.77 51.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.256 -0.429 . . . . 1.03 110.762 -173.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . 0.428 ' HA ' ' O ' ' B' ' 53' ' ' PHE . 97.9 m95 -95.42 96.71 9.29 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.84 -0.8 . . . . 1.6100000000000001 108.84 173.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 54.7 t -78.57 136.0 24.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-N 115.267 -0.879 . . . . 0.95999999999999996 110.214 -174.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.08 65.31 2.65 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.825 -0.625 . . . . 1.27 112.493 -178.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 73.55 0.57 3.69 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.566 0.746 . . . . 3.0099999999999998 112.0 172.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 50.6 tttt 51.91 -139.09 1.01 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 122.854 0.462 . . . . 1.3200000000000001 110.728 176.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 25.4 m -147.21 -51.31 0.2 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.915 0.388 . . . . 1.8200000000000001 110.837 175.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 7.4 p -133.18 146.11 51.22 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.396 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.22 165.09 28.48 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.258 -0.428 . . . . 0.79000000000000004 110.585 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 15.2 m -104.38 118.71 37.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.372 -0.377 . . . . 1.01 110.773 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -69.21 162.81 26.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.923 -0.58 . . . . 1.8400000000000001 110.163 177.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 17.0 tt -59.99 -25.53 33.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.982 0.42 . . . . 1.3300000000000001 111.377 -178.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -79.92 -6.43 57.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.388 -0.369 . . . . 2.2200000000000002 110.925 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.34 19.78 40.67 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.869 -0.681 . . . . 1.25 112.027 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -94.59 131.9 39.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.6 0.238 . . . . 2.1400000000000001 110.719 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -84.24 114.79 22.08 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.941 -0.762 . . . . 2.1899999999999999 108.941 174.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 35.6 m -117.37 155.02 19.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 116.007 -0.542 . . . . 1.01 110.955 -175.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . 0.421 ' HB ' HG23 ' B' ' 92' ' ' THR . 20.0 m -91.82 128.27 37.59 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.739 -0.664 . . . . 1.04 110.07 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.489 ' HA ' HG22 ' B' ' 91' ' ' THR . 36.4 t -90.59 141.49 14.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.32 -0.4 . . . . 1.1000000000000001 110.089 -179.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 62.6 mt -86.5 126.72 34.64 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.031 -0.531 . . . . 1.9099999999999999 109.794 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.46 -25.58 67.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.393 0.616 . . . . 2.1800000000000002 110.031 178.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -137.13 125.22 22.93 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.969 -1.014 . . . . 3.5899999999999999 108.657 172.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.425 HG22 ' O ' ' B' ' 49' ' ' PHE . 31.4 m -89.52 126.53 42.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 121.329 0.585 . . . . 2.3900000000000001 110.306 -176.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -83.55 98.6 9.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.905 0.86 . . . . 3.25 110.58 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.0 mm -106.17 152.58 7.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 107.666 -1.235 . . . . 2.77 107.666 175.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -55.26 108.82 0.46 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.94 0.4 . . . . 3.8399999999999999 110.958 -175.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 66.29 29.16 9.68 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 114.988 -1.006 . . . . 4.7599999999999998 111.779 178.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 29.0 t -162.07 115.39 1.8 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.95 0.405 . . . . 3.3300000000000001 110.939 176.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 57.6 t -116.51 115.09 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.898 -0.408 . . . . 2.3799999999999999 109.898 177.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . 0.425 ' O ' HG22 ' B' ' 42' ' ' VAL . 47.7 p90 -144.64 165.26 28.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.576 -0.284 . . . . 4.1299999999999999 111.095 -175.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -85.06 146.08 27.35 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.919 -0.771 . . . . 4.8399999999999999 108.919 176.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.463 ' HB2' ' CE ' ' A' ' 88' ' ' LYS . 1.5 pp0? -109.65 -15.14 14.23 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.32 -0.552 . . . . 4.5599999999999996 112.463 -173.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 60.99 166.97 0.09 Allowed 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.335 0.865 . . . . 2.4500000000000002 113.335 171.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . 0.428 ' O ' ' HA ' ' B' ' 21' ' ' TRP . 40.4 m-85 -140.84 160.57 39.77 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.582 -0.735 . . . . 1.1599999999999999 110.03 172.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . 0.415 ' HA ' ' O ' ' B' ' 20' ' ' VAL . 13.8 p90 -126.41 112.92 16.2 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.032 0.444 . . . . 3.5600000000000001 109.906 175.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -121.68 124.16 43.62 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.298 -0.41 . . . . 1.49 110.508 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 71.1 m -101.07 113.32 26.22 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.659 -0.497 . . . . 1.0700000000000001 109.659 177.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -103.38 140.31 37.62 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.934 -0.576 . . . . 2.48 110.465 -176.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 75.0 m -76.43 107.03 8.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.079 -0.509 . . . . 1.73 110.464 178.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -76.03 -32.37 59.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.517 0.675 . . . . 3.4900000000000002 109.281 175.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . 0.496 ' HB1' ' O ' ' B' ' 66' ' ' SER . . . -92.77 140.64 29.31 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.192 -0.913 . . . . 2.5800000000000001 109.273 173.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 50.4 m -149.2 12.32 0.83 Allowed 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.978 -0.289 . . . . 2.7599999999999998 111.51 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -109.42 134.42 20.52 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 109.26 -0.644 . . . . 2.5899999999999999 109.26 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' PRO . . . . . 0.423 ' HA ' ' O ' ' B' ' 78' ' ' SER . 2.7 Cg_exo -34.57 -62.75 0.19 Allowed 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 124.37 3.38 . . . . 2.5699999999999998 114.602 -173.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 58.0 t -123.05 -55.26 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.959 -0.296 . . . . 2.5299999999999998 111.66 -176.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -45.58 -42.36 11.02 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.822 0.701 . . . . 4.2000000000000002 112.135 -175.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . 0.496 ' O ' ' HB1' ' B' ' 60' ' ' ALA . 22.3 t -138.9 62.85 1.53 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.801 -0.815 . . . . 3.8999999999999999 108.801 176.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -175.38 -118.15 0.51 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.764 -0.731 . . . . 2.6000000000000001 112.534 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 86.4 m -85.03 75.0 10.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.528 0.68 . . . . 1.74 111.42 -172.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -67.14 126.56 29.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.251 -0.886 . . . . 3.9500000000000002 109.96 175.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.03 -32.8 3.2 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.689 -0.767 . . . . 1.6000000000000001 111.301 -175.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 48.9 mm -75.57 123.53 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.97 -0.382 . . . . 1.6499999999999999 109.97 177.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -143.55 86.35 1.88 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.105 0.478 . . . . 3.3199999999999998 110.681 -177.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 42.5 t -157.04 150.61 24.34 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.818 -0.628 . . . . 4.6299999999999999 109.847 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -93.92 3.37 55.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.139 0.495 . . . . 3.0600000000000001 109.769 177.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -102.82 -8.33 20.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.686 -0.688 . . . . 3.5099999999999998 110.428 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' TRP . . . . . 0.481 ' CE3' ' HB3' ' B' ' 112' ' ' LEU . 83.8 m95 -122.94 140.67 52.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.248 0.546 . . . . 3.1699999999999999 111.613 -174.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -118.83 134.98 54.78 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.091 -1.078 . . . . 2.7000000000000002 108.091 167.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 10.8 t -125.5 153.76 43.09 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.749 -0.38 . . . . 1.9299999999999999 111.039 -172.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -173.64 174.46 3.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.457 -0.792 . . . . 3.73 109.357 175.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.512 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 35.4 m -103.51 138.98 39.47 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.142 -0.481 . . . . 1.6699999999999999 110.724 -176.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 62.3 m -131.66 133.61 45.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.487 -0.324 . . . . 2.25 110.482 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.456 ' HB ' ' HB3' ' B' ' 105' ' ' ASP . 23.8 p -83.6 126.39 32.78 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 120.888 0.375 . . . . 2.7799999999999998 110.791 177.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 14.3 p -90.22 128.68 36.45 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.244 -0.435 . . . . 2.6899999999999999 110.718 179.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' HIS . . . . . 0.445 ' HA ' ' O ' ' B' ' 104' ' ' ILE . 11.0 p-80 -99.61 131.28 45.71 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.099 0.476 . . . . 3.71 110.746 -179.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.573 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 12.7 t -117.38 162.63 17.62 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.817 -0.808 . . . . 1.48 108.817 178.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.4 ' HB3' ' HB3' ' B' ' 101' ' ' PHE . 85.3 m-85 -103.46 116.37 32.28 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.052 0.453 . . . . 1.75 110.03 -177.48 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 26.0 m -110.44 146.61 15.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.838 -0.619 . . . . 1.0800000000000001 111.222 -176.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . 0.428 ' CE ' ' HB2' ' A' ' 51' ' ' GLN . 15.4 pttm -75.83 106.92 7.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.309 -0.859 . . . . 3.8199999999999998 110.774 177.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.22 137.6 51.21 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.816 -0.629 . . . . 1.1299999999999999 110.708 178.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 20.0 tp -74.99 104.24 5.5 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.201 -0.666 . . . . 1.45 109.201 177.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' THR . . . . . 0.489 HG22 ' HA ' ' B' ' 38' ' ' VAL . 51.2 p -127.12 163.44 23.81 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.868 -0.605 . . . . 1.1499999999999999 110.294 -175.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . 0.421 HG23 ' HB ' ' B' ' 37' ' ' THR . 4.0 t -110.62 110.73 21.54 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.496 0.665 . . . . 1.3200000000000001 110.55 178.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -91.31 3.38 55.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.405 -0.816 . . . . 2.46 110.885 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -161.84 -76.33 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.223 -0.444 . . . . 3.0899999999999999 109.867 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -139.96 -56.87 0.56 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.795 -0.446 . . . . 3.2999999999999998 109.795 175.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -65.7 159.98 23.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.122 -0.49 . . . . 2.7400000000000002 110.024 176.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -107.23 137.84 44.53 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.291 -0.413 . . . . 1.4399999999999999 110.705 -178.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.52 150.71 40.81 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.391 -0.368 . . . . 1.3899999999999999 110.569 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -74.14 99.43 3.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.164 -0.471 . . . . 2.3500000000000001 110.064 177.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -99.76 164.75 11.91 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.61 -0.723 . . . . 3.48 109.767 -179.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.4 ' HB3' ' HB3' ' B' ' 86' ' ' PHE . 97.1 m-85 -106.05 104.11 13.75 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.2 -0.667 . . . . 1.98 109.2 177.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 24.0 pt -112.9 145.65 18.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.074 -0.512 . . . . 0.85999999999999999 111.424 -171.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . 0.573 ' HA ' ' O ' ' B' ' 85' ' ' THR . 6.9 ptm180 -79.4 119.1 21.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.6 -0.727 . . . . 3.7200000000000002 111.822 -176.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 104' ' ' ILE . . . . . 0.445 ' O ' ' HA ' ' B' ' 84' ' ' HIS . 47.9 pt -120.95 143.18 33.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.848 -0.615 . . . . 0.82999999999999996 109.583 170.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . 0.456 ' HB3' ' HB ' ' B' ' 82' ' ' THR . 2.5 m-20 -76.28 98.18 4.4 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.347 -0.612 . . . . 1.6899999999999999 109.347 178.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 8.9 t -93.94 -20.94 19.54 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.311 0.486 . . . . 2.29 112.311 -167.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . 0.44 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -147.53 161.36 41.26 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.698 -0.401 . . . . 1.1499999999999999 111.554 -176.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . 0.512 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 41.3 t -122.98 110.72 15.73 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.583 -0.735 . . . . 1.5600000000000001 109.037 177.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 20.7 m -103.83 151.35 6.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.089 0.471 . . . . 1.0800000000000001 111.409 -173.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 36.6 t -94.1 121.32 35.48 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.794 -0.817 . . . . 1.45 108.794 174.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 21.7 m -114.0 156.53 14.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.916 0.389 . . . . 1.52 111.62 -176.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.481 ' HB3' ' CE3' ' B' ' 76' ' ' TRP . 81.6 mt -122.94 137.82 54.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.893 -0.594 . . . . 1.6699999999999999 109.674 173.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 47.5 t -123.08 141.81 51.56 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.824 -0.436 . . . . 2.6200000000000001 109.824 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 115.62 -0.718 . . . . 6.7199999999999998 110.248 -179.183 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.415 ' HB3' ' H ' ' B' ' 112' ' ' LEU . 36.5 m-85 . . . . . 0 CA--C 1.519 -0.226 0 CA-C-O 121.117 0.484 . . . . 3.6499999999999999 110.565 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.7 t -77.74 134.1 38.15 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.677 -0.692 . . . . 2.4199999999999999 109.66 177.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.441 ' O ' ' HB3' ' A' ' 68' ' ' CYS . 35.4 m -65.29 -21.75 29.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.008 -0.542 . . . . 1.4099999999999999 110.844 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.3 t -121.46 134.27 55.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.834 -0.621 . . . . 1.75 110.407 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.424 ' CG ' HH21 ' A' ' 69' ' ' ARG . 1.1 m-20 -64.58 115.59 5.35 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.935 -0.575 . . . . 2.8700000000000001 110.883 179.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.2 p -140.64 159.03 43.08 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.761 -0.654 . . . . 1.72 110.958 -176.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.5 p -125.24 121.03 59.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.005 -0.543 . . . . 1.51 110.631 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.445 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 49.3 m -92.07 121.69 33.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.378 -0.374 . . . . 1.6599999999999999 110.118 177.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.4 t -118.75 137.87 51.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.477 -0.329 . . . . 1.03 110.902 -176.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -100.69 95.59 6.77 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.937 -0.764 . . . . 1.6100000000000001 108.937 172.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.2 t -78.28 113.62 17.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.976 -0.556 . . . . 0.95999999999999996 110.579 -176.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.61 -6.46 64.02 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.872 -0.68 . . . . 1.27 112.296 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -144.4 67.45 1.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.358 0.599 . . . . 3.02 110.124 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.747 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 57.1 tttp -85.16 95.69 9.23 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.758 -0.83 . . . . 1.3200000000000001 108.758 175.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 37' ' ' THR . 13.1 t -69.47 -29.02 66.59 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.105 0.409 . . . . 1.8200000000000001 112.105 -170.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 4.0 p -141.61 146.06 35.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.002 0.429 . . . . 1.01 111.345 -179.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -145.09 166.38 25.53 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.768 -0.651 . . . . 0.79000000000000004 110.23 176.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.5 m -94.69 121.13 35.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.131 -0.486 . . . . 1.02 110.584 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -71.51 156.79 39.03 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.255 -0.884 . . . . 1.8500000000000001 110.077 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.0 tt -64.51 -18.0 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.068 -0.515 . . . . 1.3300000000000001 110.753 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -87.66 -4.5 58.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 2.2200000000000002 111.13 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.67 24.22 28.69 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.779 -0.724 . . . . 1.25 111.964 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -99.49 165.48 11.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.94 0.4 . . . . 2.1400000000000001 110.423 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -108.32 114.5 28.42 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.363 -0.977 . . . . 2.1899999999999999 108.363 172.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 27' ' ' THR . 17.3 m -115.73 147.38 19.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.147 -0.479 . . . . 1.02 111.75 -173.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 26' ' ' THR . 24.6 m -87.82 110.82 20.78 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.392 -0.822 . . . . 1.04 110.004 179.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.747 ' HB ' ' O ' ' A' ' 25' ' ' LYS . 29.8 t -87.21 132.43 32.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.112 -0.494 . . . . 1.1000000000000001 110.121 -176.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.47 ' C ' ' H ' ' A' ' 41' ' ' GLU . 82.9 mt -86.9 -19.93 28.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.274 -0.421 . . . . 1.9099999999999999 111.286 -176.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.42 ' H ' HG12 ' A' ' 38' ' ' VAL . . . 72.53 -30.75 0.21 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.713 0.805 . . . . 2.1800000000000002 111.459 -178.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.512 ' HG2' ' HG2' ' A' ' 50' ' ' ARG . 43.7 mt-10 -105.52 155.03 19.57 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.876 -0.787 . . . . 3.5899999999999999 108.876 176.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 26.0 m -116.86 117.0 53.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.462 0.649 . . . . 2.3999999999999999 110.856 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.461 ' H ' ' CD2' ' A' ' 90' ' ' LEU . 48.0 m-80 -96.35 99.77 11.43 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.481 -0.781 . . . . 3.25 109.252 177.225 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.0 mt -93.22 -84.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 C-N-CA 120.989 -0.284 . . . . 2.77 110.329 -178.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -125.52 -67.92 0.86 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.565 -0.532 . . . . 3.8399999999999999 109.565 177.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -133.19 46.73 2.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.855 -0.611 . . . . 4.7599999999999998 109.746 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.2 t -162.27 125.81 3.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.897 -0.592 . . . . 3.3300000000000001 109.837 -177.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.533 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 36.9 t -127.15 96.61 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 2.3700000000000001 110.212 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.507 ' O ' HG22 ' A' ' 42' ' ' VAL . 11.6 p90 -120.51 142.49 49.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.391 0.615 . . . . 4.1299999999999999 111.48 -178.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.512 ' HG2' ' HG2' ' A' ' 41' ' ' GLU . 70.2 mtm180 -83.69 -164.81 0.97 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.244 -0.889 . . . . 4.8399999999999999 111.38 -177.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.493 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 41.9 tp60 -150.39 -46.75 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.776 -0.647 . . . . 4.5599999999999996 110.426 -178.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.493 ' HB2' ' O ' ' A' ' 51' ' ' GLN . 49.3 m-85 72.33 123.42 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.988 0.805 . . . . 2.46 110.005 -172.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -95.86 117.34 30.39 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.743 -0.662 . . . . 1.1599999999999999 110.865 -174.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -83.73 107.68 16.31 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.315 -0.857 . . . . 3.5600000000000001 110.53 -177.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.581 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 34.5 mt-10 -120.86 116.01 24.35 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.744 -0.662 . . . . 1.49 110.347 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' A' ' 19' ' ' SER . 57.9 m -95.63 114.42 26.17 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.812 -0.44 . . . . 1.0700000000000001 109.812 175.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -107.64 140.63 40.36 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.998 -0.546 . . . . 2.48 110.604 -175.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 39.0 m -73.42 107.76 5.89 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.419 -0.586 . . . . 1.73 109.419 176.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -83.9 -0.57 51.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.222 0.534 . . . . 3.48 109.92 -179.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -156.16 134.71 11.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.238 -0.892 . . . . 2.5800000000000001 109.207 175.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.6 p -83.7 -30.78 26.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.236 0.541 . . . . 2.7599999999999998 109.875 177.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -141.15 86.94 11.02 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.116 -0.947 . . . . 2.5899999999999999 109.081 175.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -54.44 -33.98 79.63 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.728 2.285 . . . . 2.5699999999999998 112.575 -178.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.9 m -118.33 155.4 20.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.574 -0.528 . . . . 2.5299999999999998 109.574 176.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -79.33 64.16 4.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.452 0.644 . . . . 4.1900000000000004 110.653 -175.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.8 p -177.65 -22.57 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.883 -1.053 . . . . 3.8999999999999999 109.748 -178.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.411 ' CA ' ' HB2' ' A' ' 78' ' ' SER . . . 153.58 -115.56 0.68 Allowed Glycine 0 N--CA 1.445 -0.76 0 CA-C-N 115.638 -0.71 . . . . 2.6000000000000001 111.37 179.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.441 ' HB3' ' O ' ' A' ' 14' ' ' VAL . 72.0 m -111.28 172.74 6.71 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.126 -0.324 . . . . 1.73 110.126 177.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.424 HH21 ' CG ' ' A' ' 16' ' ' ASP . 90.8 mtt180 -65.3 122.08 16.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.576 -0.284 . . . . 3.9399999999999999 110.828 -175.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 85.61 -0.3 88.15 Favored Glycine 0 N--CA 1.454 -0.131 0 C-N-CA 120.874 -0.679 . . . . 1.6100000000000001 113.644 172.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.543 HG22 ' H ' ' A' ' 73' ' ' SER . 50.4 mm -78.76 137.96 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.062 0.458 . . . . 1.6499999999999999 110.378 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -54.68 -37.44 65.78 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.259 -0.882 . . . . 3.3199999999999998 112.22 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.543 ' H ' HG22 ' A' ' 71' ' ' ILE . 31.3 t 77.04 -40.54 0.36 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.506 0.723 . . . . 4.6299999999999999 112.154 175.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -73.84 -40.47 63.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.253 0.549 . . . . 3.0600000000000001 110.518 -177.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -93.52 -15.35 25.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.737 -0.665 . . . . 3.5099999999999998 111.031 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.462 ' O ' ' HA ' ' A' ' 73' ' ' SER . 90.4 m95 -142.25 115.4 8.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.441 -0.345 . . . . 3.1699999999999999 111.502 -175.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.519 ' HB3' ' O ' ' A' ' 113' ' ' SER . 28.3 t-20 -86.19 137.15 32.86 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 107.904 -1.147 . . . . 2.6899999999999999 107.904 170.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.755 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 3.1 m -111.07 143.92 41.02 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.943 0.401 . . . . 1.9299999999999999 111.789 -170.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.439 ' O ' HG22 ' A' ' 111' ' ' VAL . 76.9 t80 -148.13 135.13 20.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.692 -0.686 . . . . 3.73 109.539 174.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.612 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 71.7 m -88.2 130.06 35.17 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.009 0.433 . . . . 1.6699999999999999 111.102 -178.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.464 ' O ' HG22 ' A' ' 109' ' ' VAL . 60.1 m -137.73 133.92 34.71 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.914 -0.585 . . . . 2.2400000000000002 109.884 178.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.3 p -81.4 129.76 34.76 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.857 0.361 . . . . 2.7799999999999998 111.136 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.5 t -86.34 140.44 30.05 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 108.793 -0.818 . . . . 2.6899999999999999 108.793 174.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -123.5 146.55 47.98 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.017 0.436 . . . . 3.71 111.485 -170.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.594 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 11.5 t -128.98 173.62 10.27 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.63 -0.714 . . . . 1.48 109.352 178.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -117.49 116.81 27.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.019 0.437 . . . . 1.75 110.93 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.3 m -114.39 139.75 38.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.813 -0.631 . . . . 1.0800000000000001 110.029 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 62.4 pttt -87.42 116.08 25.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.581 0.705 . . . . 3.8199999999999998 110.677 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -126.98 153.36 45.98 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.347 -0.842 . . . . 1.1299999999999999 110.002 -178.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.461 ' CD2' ' H ' ' A' ' 43' ' ' ASN . 21.2 tp -73.66 112.84 10.14 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.303 0.573 . . . . 1.45 109.93 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 47.6 p -114.82 159.71 20.31 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.342 -0.844 . . . . 1.1399999999999999 109.695 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.498 ' HA ' ' O ' ' A' ' 96' ' ' GLN . 9.9 t -111.62 123.61 50.6 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 121.622 0.725 . . . . 1.3200000000000001 111.295 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -106.17 98.32 8.02 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.018 -0.992 . . . . 2.4700000000000002 108.7 176.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 68.05 -80.63 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.363 -0.835 . . . . 3.0899999999999999 110.606 -175.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -128.17 -13.26 5.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.801 0.334 . . . . 3.29 110.819 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.498 ' O ' ' HA ' ' A' ' 92' ' ' THR . 2.4 mp0 -85.36 156.31 20.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.41 -0.359 . . . . 2.7400000000000002 110.532 -175.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -122.61 116.88 24.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.227 -0.442 . . . . 1.4399999999999999 109.937 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.78 144.95 47.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.828 0.347 . . . . 1.3799999999999999 111.313 -175.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 51.6 m95 -76.98 102.21 6.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.869 -0.605 . . . . 2.3500000000000001 110.031 178.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 22.9 mmm180 -109.39 145.98 35.2 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.949 0.404 . . . . 3.48 111.14 -177.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -83.41 111.47 19.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.491 -0.777 . . . . 1.98 110.072 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 36.4 pt -114.23 148.86 16.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.751 -0.659 . . . . 0.85999999999999999 110.441 -178.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.594 ' HA ' ' O ' ' A' ' 85' ' ' THR . 32.7 ptt180 -86.45 133.67 33.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.085 -0.507 . . . . 3.71 110.944 -177.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 40.4 pt -132.21 151.28 34.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.835 -0.621 . . . . 0.82999999999999996 110.047 174.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.581 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 37.8 m-20 -86.82 119.83 27.45 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.821 -0.437 . . . . 1.6899999999999999 109.821 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 18.5 p -90.69 -39.33 12.51 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.721 0.296 . . . . 2.29 111.603 -174.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -153.28 157.71 40.55 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.929 0.395 . . . . 1.1399999999999999 111.095 -177.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.612 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 41.0 t -104.65 110.68 23.1 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.24 -0.652 . . . . 1.5600000000000001 109.24 176.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 81' ' ' THR . 16.7 m -98.05 152.98 4.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.147 -0.478 . . . . 1.0700000000000001 110.154 -176.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.755 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 53.0 t -107.71 104.7 14.28 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.423 -0.584 . . . . 1.45 109.423 177.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 79' ' ' TYR . 28.6 m -78.18 135.45 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.829 -0.434 . . . . 1.52 109.829 -179.283 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.451 ' HB3' ' HB3' ' A' ' 76' ' ' TRP . 72.7 mt -112.78 136.8 51.98 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.473 -0.331 . . . . 1.6699999999999999 111.051 -177.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.519 ' O ' ' HB3' ' A' ' 77' ' ' ASN . 33.7 p 179.72 113.9 0.04 OUTLIER 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.728 -0.669 . . . . 2.6200000000000001 110.161 173.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.435 ' O ' ' HD2' ' A' ' 114' ' ' ARG . 1.6 tmm_? . . . . . 0 C--N 1.321 -0.644 0 N-CA-C 108.146 -1.057 . . . . 6.7300000000000004 108.146 167.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . 0.447 ' HB3' ' H ' ' A' ' 112' ' ' LEU . 36.8 m-85 . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 121.079 0.466 . . . . 3.6499999999999999 110.42 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 45.6 t -77.78 134.09 38.11 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.806 -0.634 . . . . 2.4199999999999999 109.741 177.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.433 ' O ' ' HB3' ' B' ' 68' ' ' CYS . 35.4 m -65.14 -21.52 29.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.08 -0.509 . . . . 1.4099999999999999 110.901 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 38.8 t -121.81 134.17 54.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.823 -0.626 . . . . 1.75 110.304 176.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . 0.425 ' CG ' HH21 ' B' ' 69' ' ' ARG . 1.0 OUTLIER -64.82 115.86 5.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.929 -0.578 . . . . 2.8700000000000001 110.774 179.297 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 3.2 p -140.7 159.28 42.54 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.735 -0.666 . . . . 1.72 110.854 -176.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.7 p -125.29 121.29 60.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.14 -0.482 . . . . 1.51 110.736 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.442 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 48.1 m -92.56 121.59 34.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.389 -0.369 . . . . 1.6599999999999999 110.154 177.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 68.7 t -118.77 137.91 51.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.313 -0.403 . . . . 1.03 111.0 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -100.84 95.97 6.98 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.907 -0.775 . . . . 1.6100000000000001 108.907 172.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 23.6 t -78.61 113.64 18.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.94 -0.573 . . . . 0.95999999999999996 110.53 -175.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.85 -5.94 64.01 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.833 -0.699 . . . . 1.27 112.269 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -144.68 67.12 1.25 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.386 0.612 . . . . 3.0099999999999998 110.054 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.742 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 57.1 tttp -84.63 95.73 8.98 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.725 -0.842 . . . . 1.3200000000000001 108.725 175.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 12.9 t -69.85 -29.02 66.17 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.04 0.385 . . . . 1.8200000000000001 112.04 -170.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' B' ' 36' ' ' VAL . 4.3 p -141.52 145.95 35.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.051 0.453 . . . . 1.0 111.217 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.98 166.61 24.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.672 -0.695 . . . . 0.79000000000000004 110.241 176.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 12.1 m -94.97 121.05 36.19 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.161 -0.472 . . . . 1.01 110.554 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -71.83 156.44 39.3 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.213 -0.903 . . . . 1.8400000000000001 110.003 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.0 tt -64.08 -18.03 21.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.35 0.595 . . . . 1.3300000000000001 110.845 179.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -87.54 -4.91 58.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.08 -0.509 . . . . 2.2200000000000002 111.045 177.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.05 24.5 26.99 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.923 -0.656 . . . . 1.25 111.917 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -99.79 165.2 11.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.932 0.396 . . . . 2.1400000000000001 110.452 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -107.54 114.9 29.2 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.517 -0.92 . . . . 2.1899999999999999 108.517 172.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' B' ' 27' ' ' THR . 17.6 m -115.99 147.38 19.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.13 0.491 . . . . 1.01 111.754 -173.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 25.2 m -88.09 110.45 20.66 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.249 -0.887 . . . . 1.04 109.829 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.742 ' HB ' ' O ' ' B' ' 25' ' ' LYS . 31.0 t -87.11 132.45 32.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.179 -0.464 . . . . 1.1000000000000001 110.025 -176.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . 0.473 ' C ' ' H ' ' B' ' 41' ' ' GLU . 83.2 mt -87.09 -19.47 28.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.256 -0.429 . . . . 1.9099999999999999 111.217 -175.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.423 ' H ' HG12 ' B' ' 38' ' ' VAL . . . 71.99 -30.61 0.21 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.63 0.772 . . . . 2.1800000000000002 111.488 -178.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.504 ' HG2' ' HG2' ' B' ' 50' ' ' ARG . 43.8 mt-10 -105.37 155.22 19.32 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.871 -0.788 . . . . 3.5899999999999999 108.871 176.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 26.0 m -117.13 117.31 54.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 121.426 0.632 . . . . 2.3900000000000001 110.69 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.469 ' H ' ' CD2' ' B' ' 90' ' ' LEU . 48.1 m-80 -96.42 99.9 11.53 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.326 -0.852 . . . . 3.25 109.29 176.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 68.5 mt -93.25 -85.0 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.561 -0.29 . . . . 2.77 110.284 -179.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -124.94 -67.93 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.538 -0.542 . . . . 3.8399999999999999 109.538 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -132.89 46.4 2.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.917 -0.583 . . . . 4.7599999999999998 109.829 178.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 17.7 t -161.94 125.6 3.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.968 -0.56 . . . . 3.3300000000000001 109.849 -177.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.529 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 36.0 t -126.81 96.83 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 2.3799999999999999 110.101 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . 0.508 ' O ' HG22 ' B' ' 42' ' ' VAL . 12.0 p90 -120.61 142.43 49.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.349 0.595 . . . . 4.1299999999999999 111.512 -178.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.504 ' HG2' ' HG2' ' B' ' 41' ' ' GLU . 69.7 mtm180 -83.63 -164.49 0.92 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.278 -0.874 . . . . 4.8399999999999999 111.379 -177.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.485 ' O ' ' HB2' ' B' ' 52' ' ' TYR . 42.0 tp60 -150.89 -46.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.717 -0.674 . . . . 4.5599999999999996 110.521 -178.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' TYR . . . . . 0.485 ' HB2' ' O ' ' B' ' 51' ' ' GLN . 49.0 m-85 71.92 123.43 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.847 0.717 . . . . 2.4500000000000002 109.982 -172.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -96.02 117.41 30.61 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.697 -0.683 . . . . 1.1599999999999999 110.761 -174.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -83.74 107.58 16.26 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.371 -0.831 . . . . 3.5600000000000001 110.559 -177.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . 0.584 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 34.9 mt-10 -120.66 116.24 24.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.761 -0.654 . . . . 1.49 110.316 179.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' B' ' 19' ' ' SER . 59.4 m -95.77 114.2 25.91 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.184 -0.462 . . . . 1.0700000000000001 109.806 175.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -107.3 140.69 39.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.964 -0.562 . . . . 2.48 110.6 -175.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' CYS . . . . . 0.404 ' SG ' HG23 ' B' ' 82' ' ' THR . 38.4 m -73.59 107.52 5.9 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.566 -0.531 . . . . 1.73 109.566 176.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -83.75 -0.26 50.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.337 0.589 . . . . 3.4900000000000002 109.954 -179.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -156.39 134.75 11.45 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.272 -0.876 . . . . 2.5800000000000001 109.221 175.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 16.0 p -83.85 -30.55 26.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.145 0.498 . . . . 2.7599999999999998 109.814 177.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . 0.407 HD22 ' HA ' ' B' ' 62' ' ' ASN . 9.3 m120 -141.45 87.21 10.53 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.06 -0.973 . . . . 2.5899999999999999 108.988 175.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -54.68 -34.1 82.42 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.806 2.338 . . . . 2.5699999999999998 112.457 -178.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 35.9 m -118.23 155.28 20.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.114 -0.493 . . . . 2.5299999999999998 109.696 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -79.17 64.27 4.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.524 0.678 . . . . 4.2000000000000002 110.56 -175.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 24.4 p -177.79 -22.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.912 -1.04 . . . . 3.8999999999999999 109.704 -178.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.415 ' CA ' ' HB2' ' B' ' 78' ' ' SER . . . 153.46 -115.49 0.68 Allowed Glycine 0 N--CA 1.443 -0.881 0 CA-C-N 115.651 -0.704 . . . . 2.6000000000000001 111.461 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.433 ' HB3' ' O ' ' B' ' 14' ' ' VAL . 71.5 m -111.42 172.84 6.65 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 110.035 -0.358 . . . . 1.74 110.035 177.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . 0.425 HH21 ' CG ' ' B' ' 16' ' ' ASP . 91.0 mtt180 -65.41 122.05 16.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.611 -0.268 . . . . 3.9500000000000002 110.796 -175.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 85.89 -0.54 87.83 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 1.6000000000000001 113.6 171.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . 0.524 HG22 ' H ' ' B' ' 73' ' ' SER . 50.4 mm -78.6 138.01 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.161 0.505 . . . . 1.6499999999999999 110.335 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -54.64 -37.47 65.71 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.233 -0.894 . . . . 3.3199999999999998 112.203 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.524 ' H ' HG22 ' B' ' 71' ' ' ILE . 31.9 t 76.97 -40.24 0.36 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.652 0.781 . . . . 4.6299999999999999 112.239 175.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -73.77 -40.72 63.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.204 0.526 . . . . 3.0600000000000001 110.442 -177.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -93.69 -15.11 25.61 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.751 -0.658 . . . . 3.5099999999999998 111.059 178.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' TRP . . . . . 0.458 ' HB3' ' HB3' ' B' ' 112' ' ' LEU . 90.6 m95 -142.47 115.54 8.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.515 -0.311 . . . . 3.1699999999999999 111.483 -175.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' ASN . . . . . 0.524 ' HB3' ' O ' ' B' ' 113' ' ' SER . 28.4 t-20 -86.21 136.97 32.98 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.082 -1.081 . . . . 2.7000000000000002 108.082 170.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.743 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 2.9 m -110.64 144.06 40.13 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.963 0.411 . . . . 1.9299999999999999 111.99 -170.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . 0.438 ' O ' HG22 ' B' ' 111' ' ' VAL . 78.1 t80 -148.16 134.96 20.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.781 -0.645 . . . . 3.73 109.588 174.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.61 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 72.4 m -88.19 129.82 35.23 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.046 0.451 . . . . 1.6699999999999999 111.109 -178.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.459 ' O ' HG22 ' B' ' 109' ' ' VAL . 63.0 m -137.57 133.81 34.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.871 -0.604 . . . . 2.25 109.792 178.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.404 HG23 ' SG ' ' B' ' 58' ' ' CYS . 24.4 p -81.35 129.57 34.68 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.911 0.386 . . . . 2.7799999999999998 111.158 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 6.9 t -86.34 140.43 30.06 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.872 -0.788 . . . . 2.6899999999999999 108.872 174.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -123.81 145.73 48.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.024 0.44 . . . . 3.71 111.534 -170.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.605 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 11.5 t -128.19 174.0 9.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.515 -0.766 . . . . 1.48 109.455 178.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -117.82 116.89 27.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.012 0.435 . . . . 1.75 110.848 -179.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 21.0 m -114.52 139.76 38.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.642 -0.708 . . . . 1.0800000000000001 109.968 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 62.4 pttt -87.57 116.03 25.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.505 0.669 . . . . 3.8199999999999998 110.683 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -126.9 153.45 45.73 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.296 -0.865 . . . . 1.1299999999999999 109.989 -178.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . 0.469 ' CD2' ' H ' ' B' ' 43' ' ' ASN . 21.2 tp -73.78 112.75 10.19 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.29 0.567 . . . . 1.45 110.019 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 49.1 p -114.59 159.94 19.86 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.298 -0.864 . . . . 1.1499999999999999 109.748 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . 0.506 ' HA ' ' O ' ' B' ' 96' ' ' GLN . 11.3 t -111.79 124.01 51.44 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.547 0.689 . . . . 1.3200000000000001 111.108 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -106.59 98.03 7.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.275 -0.875 . . . . 2.46 108.714 176.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 68.6 -80.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.432 -0.804 . . . . 3.0899999999999999 110.424 -176.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -127.99 -13.17 5.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.754 0.312 . . . . 3.2999999999999998 110.833 177.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 96' ' ' GLN . . . . . 0.506 ' O ' ' HA ' ' B' ' 92' ' ' THR . 2.4 mp0 -85.51 156.06 20.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.398 -0.365 . . . . 2.7400000000000002 110.587 -175.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -122.23 117.33 25.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.298 -0.41 . . . . 1.4399999999999999 109.938 176.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.98 144.95 47.68 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.74 0.305 . . . . 1.3899999999999999 111.325 -175.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -77.12 102.1 6.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.925 -0.58 . . . . 2.3500000000000001 110.044 178.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 100' ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' B' ' 88' ' ' LYS . 23.1 mmm180 -109.15 146.07 34.71 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.908 0.385 . . . . 3.48 111.138 -177.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -83.53 111.46 19.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.522 -0.763 . . . . 1.98 110.073 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 36.2 pt -114.26 149.17 16.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.937 -0.574 . . . . 0.85999999999999999 110.347 -178.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . 0.605 ' HA ' ' O ' ' B' ' 85' ' ' THR . 33.1 ptt180 -86.66 133.59 33.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.124 -0.489 . . . . 3.7200000000000002 111.008 -177.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 40.7 pt -131.94 151.52 35.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.973 -0.558 . . . . 0.82999999999999996 110.091 174.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . 0.584 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 35.6 m-20 -86.86 119.66 27.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.218 -0.447 . . . . 1.6899999999999999 109.834 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 18.3 p -90.7 -39.15 12.6 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.629 -0.26 . . . . 2.29 111.67 -174.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -153.31 157.81 40.65 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.869 0.366 . . . . 1.1499999999999999 111.094 -177.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . 0.61 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 41.2 t -104.73 110.56 22.94 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.227 -0.657 . . . . 1.5600000000000001 109.227 176.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.459 HG22 ' O ' ' B' ' 81' ' ' THR . 16.5 m -97.94 153.05 4.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.302 -0.408 . . . . 1.0800000000000001 110.268 -176.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.743 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 52.7 t -107.77 104.55 14.08 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.517 -0.549 . . . . 1.45 109.517 177.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.438 HG22 ' O ' ' B' ' 79' ' ' TYR . 28.6 m -78.22 134.93 27.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.923 -0.399 . . . . 1.52 109.923 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.458 ' HB3' ' HB3' ' B' ' 76' ' ' TRP . 72.9 mt -112.32 136.96 51.13 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.396 -0.365 . . . . 1.6699999999999999 111.094 -177.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.524 ' O ' ' HB3' ' B' ' 77' ' ' ASN . 30.0 p 179.44 114.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.638 -0.71 . . . . 2.6200000000000001 110.2 173.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 114' ' ' ARG . . . . . 0.422 ' HD2' ' O ' ' B' ' 114' ' ' ARG . 1.6 tmm_? . . . . . 0 C--N 1.321 -0.665 0 N-CA-C 108.188 -1.042 . . . . 6.7199999999999998 108.188 167.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.965 0.412 . . . . 3.6499999999999999 110.559 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.2 t -143.09 158.1 43.92 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.851 -0.613 . . . . 2.4199999999999999 109.353 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.1 m -72.44 -8.38 11.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.814 -0.63 . . . . 1.4099999999999999 110.832 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.8 t -138.73 138.55 37.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.745 -0.661 . . . . 1.75 109.785 176.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.14 115.8 3.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.926 -0.579 . . . . 2.8700000000000001 111.032 -178.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.7 m -112.8 142.18 45.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.682 -0.69 . . . . 1.72 111.269 -175.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.519 ' O ' ' HA ' ' A' ' 56' ' ' THR . 4.1 p -118.27 115.34 47.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.303 -0.408 . . . . 1.51 110.795 176.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.1 m -91.98 116.07 28.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.271 -0.422 . . . . 1.6599999999999999 110.638 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.6 t -119.95 138.42 50.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.19 -0.459 . . . . 1.03 110.79 -177.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -96.71 96.13 8.39 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.783 -0.821 . . . . 1.6100000000000001 108.783 170.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.6 t -86.13 112.59 22.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.561 -0.745 . . . . 0.95999999999999996 111.122 -172.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.6 12.32 30.29 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.055 -0.818 . . . . 1.27 111.055 174.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -124.82 30.7 5.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.078 0.466 . . . . 3.02 110.037 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.6 tttp -88.59 102.84 15.34 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.479 -0.563 . . . . 1.3200000000000001 109.479 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.482 ' O ' ' HA ' ' A' ' 37' ' ' THR . 9.0 t -103.64 -5.94 22.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.574 -0.285 . . . . 1.8200000000000001 111.46 -176.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.1 p -141.46 133.55 27.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.814 0.34 . . . . 1.01 111.152 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.59 170.03 20.66 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.268 -0.424 . . . . 0.79000000000000004 110.695 176.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.443 ' HA ' ' O ' ' A' ' 34' ' ' LYS . 9.1 m -97.84 122.5 41.02 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.861 -0.608 . . . . 1.02 110.603 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.84 160.38 23.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.241 -0.891 . . . . 1.8500000000000001 109.305 175.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.2 tt -58.97 -25.99 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.991 0.424 . . . . 1.3300000000000001 111.185 -179.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -80.31 -9.63 59.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.339 -0.391 . . . . 2.2200000000000002 111.391 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.17 13.28 39.74 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.725 -0.75 . . . . 1.25 112.554 178.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 29' ' ' THR . 75.6 mmtt -88.86 155.1 19.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.662 0.268 . . . . 2.1400000000000001 110.577 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -101.49 115.45 30.55 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.07 -0.715 . . . . 2.1899999999999999 109.07 175.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.6 m -126.2 158.31 35.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.171 0.51 . . . . 1.02 111.777 -173.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.482 ' HA ' ' O ' ' A' ' 26' ' ' THR . 44.7 m -83.63 112.08 19.7 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.062 -0.972 . . . . 1.04 110.63 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.406 ' HA ' HG22 ' A' ' 91' ' ' THR . 53.9 t -84.15 135.05 25.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.849 -0.614 . . . . 1.1000000000000001 110.032 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 68.7 mt -103.51 118.67 37.27 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 115.985 -0.552 . . . . 1.9099999999999999 109.726 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.96 -14.16 61.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.606 0.717 . . . . 2.1800000000000002 109.73 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -105.53 114.32 28.42 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 114.63 -1.168 . . . . 3.5899999999999999 108.233 174.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 49' ' ' PHE . 27.8 m -95.88 108.37 21.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.885 0.85 . . . . 2.3999999999999999 111.419 -176.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -88.97 99.38 12.37 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.681 -1.145 . . . . 3.25 109.092 176.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.9 mt -85.69 -64.75 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 120.778 -0.369 . . . . 2.77 110.307 -178.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.554 HD22 ' N ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -163.72 87.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.64 0.734 . . . . 3.8399999999999999 109.714 177.244 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.4 m120 59.78 40.34 19.67 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.174 -0.921 . . . . 4.7599999999999998 110.306 -176.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.4 t -164.86 119.37 1.33 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.639 -0.71 . . . . 3.3300000000000001 109.375 -178.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.5 t -111.84 133.2 58.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.249 -0.432 . . . . 2.3700000000000001 110.723 -177.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.473 ' O ' HG22 ' A' ' 42' ' ' VAL . 96.2 m-85 -124.47 144.0 50.33 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.384 -0.371 . . . . 4.1299999999999999 110.268 177.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -106.59 133.53 51.13 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.344 -0.389 . . . . 4.8399999999999999 110.553 178.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.89 150.69 22.81 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.49 -0.559 . . . . 4.5599999999999996 109.49 176.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -108.66 159.46 16.72 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.467 -0.333 . . . . 2.46 110.462 -171.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -99.29 133.52 43.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.264 -0.425 . . . . 1.1599999999999999 110.858 -178.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -85.27 98.87 10.76 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.29 -0.414 . . . . 3.5600000000000001 110.312 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -114.51 111.13 20.9 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.95 0.405 . . . . 1.49 110.598 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.519 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 91.3 m -99.14 107.28 19.61 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.125 -0.489 . . . . 1.0700000000000001 109.764 174.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -103.45 168.74 8.97 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.918 -0.583 . . . . 2.48 111.028 -174.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 81.7 m -86.53 125.42 33.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.787 -0.642 . . . . 1.73 109.909 177.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.492 ' NE ' ' HB ' ' A' ' 18' ' ' VAL . 74.1 mtt180 -77.79 -10.65 59.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.128 0.489 . . . . 3.48 110.697 178.03 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -158.09 155.94 30.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.69 -0.686 . . . . 2.5800000000000001 109.732 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.434 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 27.6 m -86.68 -28.95 22.83 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.352 -0.61 . . . . 2.7599999999999998 109.352 174.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.4 ' HA ' ' HD2' ' A' ' 63' ' ' PRO . 7.3 m120 -142.19 94.88 6.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.007 -0.997 . . . . 2.5899999999999999 109.112 175.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 62' ' ' ASN . 18.2 Cg_endo -58.56 -31.58 94.77 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.579 2.186 . . . . 2.5699999999999998 112.302 -178.216 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.0 m -117.96 152.71 19.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.096 -0.705 . . . . 2.5299999999999998 109.096 175.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -78.19 70.94 4.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.35 0.595 . . . . 4.1900000000000004 110.658 -175.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.1 t 178.09 -39.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.812 -1.086 . . . . 3.8999999999999999 109.039 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.452 ' CA ' ' HB2' ' A' ' 78' ' ' SER . . . 179.89 -111.23 0.31 Allowed Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.73 -0.668 . . . . 2.6000000000000001 111.745 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 86.3 m -123.41 174.33 7.43 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.287 -0.264 . . . . 1.73 110.287 179.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 69' ' ' ARG . 54.9 mtt-85 -71.29 121.67 18.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.452 -0.34 . . . . 3.9399999999999999 110.958 -175.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.24 -7.64 80.94 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.737 -0.744 . . . . 1.6100000000000001 113.357 173.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.442 HG22 ' H ' ' A' ' 73' ' ' SER . 50.1 mm -76.78 135.32 26.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.893 0.378 . . . . 1.6499999999999999 111.095 -178.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -48.61 -47.85 39.76 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.282 -0.872 . . . . 3.3199999999999998 111.309 174.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.442 ' H ' HG22 ' A' ' 71' ' ' ILE . 16.7 t 70.83 -1.99 2.45 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.373 -0.831 . . . . 4.6299999999999999 112.569 169.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -99.12 -40.73 7.85 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.192 0.52 . . . . 3.0600000000000001 109.818 178.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -92.08 -1.76 57.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.829 -0.623 . . . . 3.5099999999999998 110.226 177.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 19.6 m-90 -146.31 136.62 23.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.09 -0.505 . . . . 3.1699999999999999 111.117 -177.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.443 ' H ' ' C ' ' A' ' 113' ' ' SER . 85.8 m-20 -88.36 141.03 28.87 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 107.319 -1.363 . . . . 2.6899999999999999 107.319 164.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.664 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 6.0 m -117.9 142.79 46.94 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.858 0.361 . . . . 1.9299999999999999 111.315 -173.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.434 ' CE2' ' HB3' ' A' ' 61' ' ' SER . 79.3 t80 -151.94 133.84 14.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.022 -0.536 . . . . 3.73 109.721 177.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 64.2 m -79.3 120.59 23.98 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.15 0.5 . . . . 1.6699999999999999 110.614 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 38.3 m -125.29 132.43 52.9 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.747 -0.66 . . . . 2.2400000000000002 109.622 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 107' ' ' ALA . 3.3 p -80.08 135.04 36.25 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.959 0.409 . . . . 2.7799999999999998 111.444 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.9 m -76.38 124.05 26.93 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.323 -0.621 . . . . 2.6899999999999999 109.323 176.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -97.94 115.74 28.75 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.347 -0.388 . . . . 3.71 110.163 -176.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.5 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 6.7 t -111.66 157.99 19.8 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.77 -0.826 . . . . 1.48 108.77 177.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.459 ' CE2' ' HB3' ' A' ' 103' ' ' ARG . 95.9 m-85 -107.28 116.92 32.78 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.901 0.381 . . . . 1.75 110.372 -175.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.2 m -112.19 154.96 13.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.981 -0.554 . . . . 1.0800000000000001 111.459 -176.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -81.4 106.38 13.31 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.203 -0.908 . . . . 3.8199999999999998 109.93 -178.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.18 145.81 50.91 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.83 0.348 . . . . 1.1299999999999999 111.06 -178.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.9 tp -80.66 115.81 20.36 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.767 -0.827 . . . . 1.45 108.767 175.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.406 HG22 ' HA ' ' A' ' 38' ' ' VAL . 68.9 p -125.29 149.14 48.34 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.522 -0.308 . . . . 1.1399999999999999 110.93 -175.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.9 t -120.26 111.65 18.06 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.475 0.655 . . . . 1.3200000000000001 109.87 175.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -72.73 -37.88 67.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.627 -0.715 . . . . 2.4700000000000002 110.213 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -135.21 -79.98 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 3.0899999999999999 110.768 177.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -125.45 -7.98 6.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.565 -0.289 . . . . 3.29 111.774 -176.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -114.62 127.49 55.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.989 0.423 . . . . 2.7400000000000002 110.969 -175.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -87.06 123.84 32.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.79 -0.641 . . . . 1.4399999999999999 110.369 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -138.1 146.8 43.32 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.25 -0.432 . . . . 1.3799999999999999 110.506 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 86.0 m95 -74.6 119.24 18.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.013 -0.54 . . . . 2.3500000000000001 110.569 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -129.75 169.92 14.51 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.664 -0.698 . . . . 3.48 109.961 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -98.9 118.47 35.73 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.658 -0.701 . . . . 1.98 109.905 174.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 36.8 pt -113.82 144.17 21.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.42 -0.355 . . . . 0.85999999999999999 110.174 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.5 ' HA ' ' O ' ' A' ' 85' ' ' THR . 38.1 ptt180 -85.01 120.93 27.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.924 -0.58 . . . . 3.71 110.445 -178.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 49.3 pt -113.86 153.03 15.46 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.98 -0.555 . . . . 0.82999999999999996 110.146 176.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -82.02 93.08 6.9 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.586 -0.894 . . . . 1.6899999999999999 108.586 178.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.4 t -92.96 -16.23 25.35 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.371 0.508 . . . . 2.29 112.371 -168.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -155.51 164.05 39.19 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.526 -0.176 . . . . 1.1399999999999999 110.526 -177.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 42.4 t -124.89 115.94 21.42 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.916 -0.402 . . . . 1.5600000000000001 109.916 177.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 19.3 m -117.07 167.02 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.054 -0.521 . . . . 1.0700000000000001 109.947 -178.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.664 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 48.0 t -114.47 119.65 37.59 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.759 -0.459 . . . . 1.45 109.759 176.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.434 ' O ' ' HA ' ' A' ' 78' ' ' SER . 12.1 m -84.47 146.22 7.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.983 -0.553 . . . . 1.52 109.569 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.7 mt -124.16 136.41 54.17 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.748 -0.381 . . . . 1.6699999999999999 110.667 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.443 ' C ' ' H ' ' A' ' 77' ' ' ASN . 46.2 t -179.09 109.62 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.0 -0.545 . . . . 2.6200000000000001 110.993 174.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 . . . . . 0 C--N 1.321 -0.642 0 N-CA-C 108.841 -0.8 . . . . 6.7300000000000004 108.841 164.841 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 . . . . . 0 CA--C 1.517 -0.292 0 CA-C-O 121.038 0.447 . . . . 3.6499999999999999 110.514 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 37.8 t -143.31 157.9 44.09 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.678 -0.692 . . . . 2.4199999999999999 109.36 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 27.9 m -72.21 -8.27 11.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.782 -0.645 . . . . 1.4099999999999999 110.944 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 48.9 t -138.78 138.51 37.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.7 -0.682 . . . . 1.75 109.85 176.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.14 115.8 3.43 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.981 -0.554 . . . . 2.8700000000000001 111.167 -178.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 19.6 m -112.97 142.31 45.8 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.752 -0.658 . . . . 1.72 111.095 -174.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' B' ' 56' ' ' THR . 3.9 p -118.31 115.59 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.18 -0.464 . . . . 1.51 110.865 176.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 49.7 m -92.32 115.99 28.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.437 -0.347 . . . . 1.6599999999999999 110.63 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 46.3 t -119.67 138.46 50.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.293 -0.412 . . . . 1.03 110.839 -177.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -96.69 96.3 8.52 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.716 -0.846 . . . . 1.6100000000000001 108.716 170.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 21.7 t -86.23 112.64 22.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.717 -0.674 . . . . 0.95999999999999996 111.19 -172.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.55 12.4 30.43 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.905 -0.878 . . . . 1.27 110.905 174.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -125.05 30.75 5.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.11 0.481 . . . . 3.0099999999999998 110.151 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 40.8 tttp -88.54 102.26 14.75 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.058 -0.519 . . . . 1.3200000000000001 109.612 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.479 ' O ' ' HA ' ' B' ' 37' ' ' THR . 8.8 t -103.05 -5.63 23.14 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.468 -0.333 . . . . 1.8200000000000001 111.539 -176.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.1 p -141.95 133.91 27.37 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.714 0.292 . . . . 1.0 110.978 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.78 170.3 20.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.137 -0.483 . . . . 0.79000000000000004 110.546 176.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' B' ' 34' ' ' LYS . 9.4 m -98.2 122.46 41.38 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.795 -0.639 . . . . 1.01 110.698 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -66.0 160.48 23.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.245 -0.889 . . . . 1.8400000000000001 109.373 175.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 13.3 tt -58.56 -26.64 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.954 0.407 . . . . 1.3300000000000001 111.16 -179.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -79.76 -10.27 59.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.273 -0.421 . . . . 2.2200000000000002 111.254 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.84 12.95 38.77 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.711 -0.756 . . . . 1.25 112.618 178.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.447 ' O ' ' HA ' ' B' ' 29' ' ' THR . 75.7 mmtt -88.56 155.36 19.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.732 0.301 . . . . 2.1400000000000001 110.578 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -101.57 115.36 30.33 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.156 -0.683 . . . . 2.1899999999999999 109.156 175.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 29.5 m -126.17 158.17 35.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.144 0.497 . . . . 1.01 111.679 -173.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . 0.479 ' HA ' ' O ' ' B' ' 26' ' ' THR . 40.3 m -83.43 112.06 19.6 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.094 -0.957 . . . . 1.04 110.621 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.403 ' HA ' HG22 ' B' ' 91' ' ' THR . 54.3 t -84.06 135.01 25.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.868 -0.605 . . . . 1.1000000000000001 109.945 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 68.5 mt -103.46 119.03 38.09 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.106 -0.497 . . . . 1.9099999999999999 109.717 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.52 -13.68 60.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.69 0.757 . . . . 2.1800000000000002 109.784 177.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -105.73 114.23 28.26 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 114.627 -1.17 . . . . 3.5899999999999999 108.154 174.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.461 HG22 ' O ' ' B' ' 49' ' ' PHE . 27.8 m -95.86 108.36 21.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.874 0.845 . . . . 2.3900000000000001 111.485 -176.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -88.93 99.46 12.42 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.755 -1.111 . . . . 3.25 109.049 176.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 63.1 mt -85.83 -64.88 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.867 0.365 . . . . 2.77 110.251 -178.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . 0.549 ' N ' HD22 ' B' ' 45' ' ' ASN . 0.0 OUTLIER -163.46 87.4 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.846 -0.616 . . . . 3.8399999999999999 109.726 177.172 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 19.7 m120 59.72 40.58 19.62 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.313 -0.858 . . . . 4.7599999999999998 110.439 -176.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 15.6 t -165.23 118.45 1.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.592 -0.731 . . . . 3.3300000000000001 109.372 -178.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 40.2 t -111.02 133.66 55.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.092 -0.504 . . . . 2.3799999999999999 110.567 -178.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . 0.461 ' O ' HG22 ' B' ' 42' ' ' VAL . 96.2 m-85 -124.72 144.28 50.31 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.339 -0.391 . . . . 4.1299999999999999 110.249 177.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -106.6 133.8 50.73 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.354 -0.384 . . . . 4.8399999999999999 110.637 177.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.22 150.93 22.4 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.565 -0.532 . . . . 4.5599999999999996 109.565 176.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -108.9 159.8 16.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.488 -0.324 . . . . 2.4500000000000002 110.54 -171.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -99.56 133.45 43.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.302 -0.408 . . . . 1.1599999999999999 110.791 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -85.22 98.87 10.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.404 -0.362 . . . . 3.5600000000000001 110.289 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -114.49 111.17 20.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.991 0.424 . . . . 1.49 110.741 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.522 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 90.3 m -99.14 107.55 19.94 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.078 -0.51 . . . . 1.0700000000000001 109.627 174.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -103.68 168.83 8.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.926 -0.579 . . . . 2.48 111.033 -174.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 80.4 m -86.74 125.43 33.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.712 -0.676 . . . . 1.73 109.985 177.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . 0.493 ' NE ' ' HB ' ' B' ' 18' ' ' VAL . 74.0 mtt180 -77.52 -11.23 59.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.032 0.444 . . . . 3.4900000000000002 110.628 178.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -157.66 156.09 31.15 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.691 -0.686 . . . . 2.5800000000000001 109.756 178.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . 0.432 ' HB3' ' CE2' ' B' ' 79' ' ' TYR . 25.3 m -86.78 -28.66 22.85 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.39 -0.596 . . . . 2.7599999999999998 109.39 174.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . 0.403 ' HA ' ' HD2' ' B' ' 63' ' ' PRO . 7.3 m120 -142.55 94.93 6.6 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.024 -0.989 . . . . 2.5899999999999999 109.096 175.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' B' ' 62' ' ' ASN . 17.7 Cg_endo -58.46 -31.97 95.33 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.501 2.134 . . . . 2.5699999999999998 112.162 -178.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 28.7 m -117.4 152.84 19.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.777 -0.647 . . . . 2.5299999999999998 109.336 175.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -78.52 71.37 4.98 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.44 0.638 . . . . 4.2000000000000002 110.573 -175.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 21.4 t 177.86 -40.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.634 -1.166 . . . . 3.8999999999999999 108.995 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.455 ' CA ' ' HB2' ' B' ' 78' ' ' SER . . . 179.91 -111.39 0.31 Allowed Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.668 -0.697 . . . . 2.6000000000000001 111.772 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 86.0 m -123.23 174.71 7.11 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.336 -0.246 . . . . 1.74 110.336 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 54.8 mtt180 -71.56 122.14 19.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.413 -0.358 . . . . 3.9500000000000002 110.872 -175.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.94 -7.96 79.58 Favored Glycine 0 CA--C 1.517 0.18 0 C-N-CA 120.878 -0.677 . . . . 1.6000000000000001 113.47 173.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . 0.44 HG22 ' H ' ' B' ' 73' ' ' SER . 50.3 mm -76.74 135.06 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.054 0.454 . . . . 1.6499999999999999 111.06 -178.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -48.41 -47.82 37.51 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.112 -0.949 . . . . 3.3199999999999998 111.401 174.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.44 ' H ' HG22 ' B' ' 71' ' ' ILE . 16.3 t 70.83 -2.12 2.4 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.397 -0.819 . . . . 4.6299999999999999 112.672 169.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -99.06 -40.79 7.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.174 0.511 . . . . 3.0600000000000001 109.735 178.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -91.89 -2.2 56.94 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.799 -0.637 . . . . 3.5099999999999998 110.232 177.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . 19.7 m-90 -146.04 136.47 23.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 3.1699999999999999 111.165 -176.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' ASN . . . . . 0.448 ' H ' ' C ' ' B' ' 113' ' ' SER . 86.0 m-20 -88.19 140.95 28.96 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.253 -1.388 . . . . 2.7000000000000002 107.253 164.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.665 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 5.9 m -117.75 143.05 46.59 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.799 0.333 . . . . 1.9299999999999999 111.262 -173.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' B' ' 61' ' ' SER . 78.9 t80 -152.02 134.0 14.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.072 -0.513 . . . . 3.73 109.732 177.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 64.1 m -79.64 120.44 23.97 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.007 0.432 . . . . 1.6699999999999999 110.572 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 37.4 m -125.18 132.93 52.95 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.782 -0.645 . . . . 2.25 109.553 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' B' ' 107' ' ' ALA . 3.1 p -80.62 135.03 35.98 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.119 0.485 . . . . 2.7799999999999998 111.289 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 7.0 m -76.26 123.95 26.72 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 109.346 -0.613 . . . . 2.6899999999999999 109.346 176.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -97.95 116.01 29.31 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.245 -0.434 . . . . 3.71 110.08 -176.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.507 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 6.8 t -111.96 157.92 20.12 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.855 -0.794 . . . . 1.48 108.855 177.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.453 ' CE2' ' HB3' ' B' ' 103' ' ' ARG . 96.3 m-85 -107.21 116.73 32.45 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.911 0.386 . . . . 1.75 110.437 -175.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 22.8 m -112.04 155.02 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.932 -0.576 . . . . 1.0800000000000001 111.368 -176.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -81.62 106.48 13.6 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.139 -0.937 . . . . 3.8199999999999998 109.815 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.24 145.63 50.98 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.41 -0.359 . . . . 1.1299999999999999 111.022 -178.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 25.0 tp -80.4 115.78 20.12 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.81 -0.811 . . . . 1.45 108.81 175.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' THR . . . . . 0.403 HG22 ' HA ' ' B' ' 38' ' ' VAL . 70.8 p -125.38 148.95 48.57 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 120.678 0.275 . . . . 1.1499999999999999 110.875 -175.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . 0.402 HG23 ' HB ' ' B' ' 37' ' ' THR . 5.0 t -120.13 111.83 18.35 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.282 0.563 . . . . 1.3200000000000001 109.794 175.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -72.92 -37.85 67.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.625 -0.716 . . . . 2.46 110.196 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -134.9 -80.19 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.173 -0.467 . . . . 3.0899999999999999 110.868 177.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -125.39 -8.04 6.95 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.807 0.299 . . . . 3.2999999999999998 111.807 -176.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -114.65 127.21 55.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.976 0.417 . . . . 2.7400000000000002 110.961 -175.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.84 124.26 32.88 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.887 -0.597 . . . . 1.4399999999999999 110.341 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -138.26 146.97 43.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.265 -0.425 . . . . 1.3899999999999999 110.423 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -74.91 118.91 18.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.06 -0.518 . . . . 2.3500000000000001 110.626 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 100' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' B' ' 100' ' ' ARG . 24.1 mmt180 -129.48 169.54 14.84 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.773 -0.649 . . . . 3.48 109.997 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -98.54 118.46 35.28 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.736 -0.665 . . . . 1.98 110.017 174.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 37.1 pt -113.88 144.14 22.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.883 0.373 . . . . 0.85999999999999999 110.175 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . 0.507 ' HA ' ' O ' ' B' ' 85' ' ' THR . 37.9 ptt180 -85.04 120.7 26.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.936 -0.575 . . . . 3.7200000000000002 110.364 -178.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 48.9 pt -113.72 152.89 15.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 116.038 -0.528 . . . . 0.82999999999999996 110.129 176.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -81.7 93.13 6.72 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.656 -0.868 . . . . 1.6899999999999999 108.656 177.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 10.3 t -92.9 -16.41 25.24 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.317 0.488 . . . . 2.29 112.317 -168.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . 0.42 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -155.44 163.99 39.3 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.542 -0.17 . . . . 1.1499999999999999 110.542 -177.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 42.0 t -124.78 116.02 21.63 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.897 -0.408 . . . . 1.5600000000000001 109.897 177.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 19.3 m -117.1 167.18 10.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.121 -0.49 . . . . 1.0800000000000001 109.963 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.665 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 47.1 t -114.63 119.78 37.91 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.715 -0.476 . . . . 1.45 109.715 176.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' B' ' 78' ' ' SER . 11.9 m -84.45 146.36 6.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.935 -0.575 . . . . 1.52 109.519 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 83.0 mt -124.36 136.31 53.99 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.769 -0.372 . . . . 1.6699999999999999 110.579 -179.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.448 ' C ' ' H ' ' B' ' 77' ' ' ASN . 48.4 t -179.06 109.71 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.06 -0.518 . . . . 2.6200000000000001 111.054 174.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 . . . . . 0 C--N 1.322 -0.614 0 N-CA-C 108.881 -0.785 . . . . 6.7199999999999998 108.881 164.895 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.478 ' HB2' ' HB ' ' B' ' 111' ' ' VAL . 23.6 m-85 . . . . . 0 CA--C 1.52 -0.183 0 CA-C-O 120.746 0.307 . . . . 3.6499999999999999 110.425 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.2 t -150.3 147.21 27.36 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.451 -0.574 . . . . 2.4199999999999999 109.451 176.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.433 HG12 HD11 ' B' ' 112' ' ' LEU . 34.5 m -69.58 -14.41 18.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.015 -0.539 . . . . 1.4099999999999999 110.628 177.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.2 m -113.89 136.73 52.57 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.112 -0.949 . . . . 1.75 110.115 177.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.465 ' HB2' ' HB3' ' A' ' 60' ' ' ALA . 14.8 m-20 -65.6 114.15 4.73 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.347 -0.612 . . . . 2.8700000000000001 109.347 176.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.5 m -118.02 135.27 54.27 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.582 -0.735 . . . . 1.72 110.502 -173.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.7 p -116.76 114.77 46.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 116.178 -0.465 . . . . 1.51 110.143 177.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.417 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 57.6 m -96.3 119.63 35.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.178 -0.465 . . . . 1.6599999999999999 110.212 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.6 t -119.54 137.8 52.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.922 -0.581 . . . . 1.03 110.267 -178.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 87.8 m95 -99.04 95.45 7.14 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.466 -0.939 . . . . 1.6100000000000001 108.466 171.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.518 ' HB ' ' HB2' ' A' ' 53' ' ' PHE . 41.7 t -79.17 135.66 25.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 116.042 -0.526 . . . . 0.95999999999999996 109.831 -176.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -100.82 -7.67 50.16 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.554 -0.831 . . . . 1.27 112.688 -177.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.48 ' H ' HG12 ' A' ' 22' ' ' VAL . 27.2 t70 -148.55 105.12 3.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.085 0.469 . . . . 3.02 111.023 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.591 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 87.9 tttt -128.33 100.87 5.98 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.635 -0.876 . . . . 1.3200000000000001 108.635 174.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 37' ' ' THR . 8.9 t -81.18 -13.32 58.71 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.797 0.666 . . . . 1.8200000000000001 112.797 -168.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -143.11 136.3 28.13 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 122.234 -0.291 . . . . 1.01 111.122 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -148.14 170.2 18.35 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.005 -0.543 . . . . 0.79000000000000004 110.309 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.465 ' HB ' ' HG2' ' A' ' 103' ' ' ARG . 14.4 m -103.01 120.47 40.69 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.241 -0.436 . . . . 1.02 110.37 179.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.437 ' OD1' ' HB3' ' A' ' 100' ' ' ARG . 12.6 t70 -67.88 159.58 30.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.959 -0.564 . . . . 1.8500000000000001 109.592 176.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.3 tt -55.34 -27.49 20.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.962 0.41 . . . . 1.3300000000000001 111.704 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -78.87 -11.65 60.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.761 0.315 . . . . 2.2200000000000002 111.055 -178.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.5 25.44 10.9 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.905 -0.664 . . . . 1.25 112.372 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -102.42 144.05 31.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.7 0.286 . . . . 2.1400000000000001 110.843 -179.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -87.8 115.38 25.21 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.069 -0.715 . . . . 2.1899999999999999 109.069 174.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.9 m -123.05 149.3 26.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 120.951 0.405 . . . . 1.02 111.714 -175.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 26' ' ' THR . 22.4 m -82.77 109.45 16.93 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.333 -0.849 . . . . 1.04 109.743 177.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.591 ' HB ' ' O ' ' A' ' 25' ' ' LYS . 48.5 t -88.57 134.96 26.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.92 -0.582 . . . . 1.1000000000000001 110.753 -175.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 41.7 mt -103.06 119.76 39.43 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.948 -0.569 . . . . 1.9099999999999999 109.558 178.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.91 -22.03 63.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.264 0.554 . . . . 2.1800000000000002 110.287 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.429 ' OE1' ' HB3' ' A' ' 50' ' ' ARG . 11.6 mm-40 -105.29 115.55 30.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.914 -1.039 . . . . 3.5899999999999999 108.524 176.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.51 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 20.3 m -101.87 127.99 54.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 C-N-CA 120.638 -0.425 . . . . 2.3999999999999999 110.494 -178.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -102.98 117.31 34.31 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.531 0.682 . . . . 3.25 110.592 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 52.4 mt -118.06 88.31 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.554 -0.748 . . . . 2.77 109.243 175.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.499 HD22 ' N ' ' A' ' 45' ' ' ASN . 0.9 OUTLIER 64.23 53.97 1.68 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.85 -0.614 . . . . 3.8399999999999999 110.036 -178.713 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.2 m120 73.44 -12.12 0.85 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.055 -0.975 . . . . 4.7599999999999998 112.115 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.5 m -84.49 113.89 21.54 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.079 -0.712 . . . . 3.3300000000000001 109.079 175.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.51 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 41.9 t -112.84 130.06 67.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.106 -0.497 . . . . 2.3700000000000001 110.715 -175.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.431 ' O ' HG22 ' A' ' 42' ' ' VAL . 49.8 p90 -139.04 154.22 48.19 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.0 -0.741 . . . . 4.1299999999999999 109.0 172.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.429 ' HB3' ' OE1' ' A' ' 41' ' ' GLU . 35.7 ptt180 -97.1 153.58 17.87 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.209 0.528 . . . . 4.8399999999999999 111.355 -173.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -117.68 158.25 25.03 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.562 -0.745 . . . . 4.5599999999999996 109.908 176.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -117.51 138.3 51.98 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.313 -0.625 . . . . 2.46 109.313 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.518 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 28.5 m-85 -98.7 109.4 22.16 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.847 -0.427 . . . . 1.1599999999999999 109.847 -179.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -84.24 99.08 10.33 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.09 -0.504 . . . . 3.5600000000000001 109.955 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 23.8 mt-10 -112.58 112.09 23.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.093 -0.503 . . . . 1.49 110.642 -178.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.417 ' HA ' ' HA ' ' A' ' 19' ' ' SER . 46.4 m -99.42 108.74 21.29 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.175 -0.676 . . . . 1.0700000000000001 109.175 174.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -110.26 152.23 26.39 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.285 0.564 . . . . 2.48 111.505 -171.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 51.4 m -83.56 93.26 7.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.198 -0.91 . . . . 1.73 109.64 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -70.19 -22.6 62.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.004 0.43 . . . . 3.48 110.303 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.465 ' HB3' ' HB2' ' A' ' 16' ' ' ASP . . . -134.25 103.01 5.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.74 -0.664 . . . . 2.5800000000000001 109.552 173.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.433 ' HA ' ' HB2' ' A' ' 80' ' ' CYS . 26.2 t -74.39 -26.72 60.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.04 0.448 . . . . 2.7599999999999998 109.976 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -132.85 82.37 55.73 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.813 -0.63 . . . . 2.5899999999999999 109.54 175.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.427 ' HG2' ' HA ' ' A' ' 68' ' ' CYS . 11.2 Cg_endo -56.51 -33.7 93.18 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.476 2.117 . . . . 2.5699999999999998 112.291 178.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.2 m -109.78 -177.3 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.383 0 C-N-CA 121.066 -0.253 . . . . 2.5299999999999998 110.579 176.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -49.88 -41.81 46.45 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 113.089 0.774 . . . . 4.1900000000000004 113.089 -173.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.2 m -150.05 53.13 0.91 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 121.966 -0.459 . . . . 3.8999999999999999 111.903 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.404 ' HA3' ' HB3' ' A' ' 78' ' ' SER . . . 150.82 -150.21 22.17 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 119.751 -1.214 . . . . 2.6000000000000001 113.147 174.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.427 ' HA ' ' HG2' ' A' ' 63' ' ' PRO . 36.1 m -94.01 166.02 12.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.689 0.281 . . . . 1.73 110.617 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -69.78 122.2 18.74 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.407 -0.36 . . . . 3.9399999999999999 110.745 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 103.26 -25.93 25.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.034 -0.603 . . . . 1.6100000000000001 112.266 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 51.2 mm -74.19 135.76 26.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.854 0.359 . . . . 1.6499999999999999 111.378 -176.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -86.24 105.63 16.75 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.456 -0.572 . . . . 3.3199999999999998 109.456 176.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.492 ' HA ' ' O ' ' A' ' 76' ' ' TRP . 30.2 m -60.81 -21.99 63.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.038 -0.528 . . . . 4.6299999999999999 111.841 -176.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -76.17 -28.59 57.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.526 -0.307 . . . . 3.0600000000000001 111.134 178.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.526 ' O ' ' HB3' ' A' ' 114' ' ' ARG . 19.4 m-70 -95.99 -26.47 15.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.468 -0.333 . . . . 3.5099999999999998 110.946 179.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.492 ' O ' ' HA ' ' A' ' 73' ' ' SER . 93.5 m95 -143.31 128.27 18.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 3.1699999999999999 110.874 -179.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.404 ' HB3' ' O ' ' A' ' 113' ' ' SER . 23.4 t-20 -81.58 134.16 35.47 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 106.489 -1.671 . . . . 2.6899999999999999 106.489 167.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.404 ' HB3' ' HA3' ' A' ' 67' ' ' GLY . 46.8 t -139.98 148.26 41.64 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.209 -0.596 . . . . 1.9299999999999999 112.369 -165.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.553 ' O ' HG22 ' A' ' 111' ' ' VAL . 38.8 p90 -165.37 160.28 17.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.995 -1.002 . . . . 3.73 108.63 172.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.433 ' HB2' ' HA ' ' A' ' 61' ' ' SER . 33.5 m -99.81 133.19 44.52 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.456 -0.338 . . . . 1.6699999999999999 110.798 -177.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.8 t -131.84 147.51 52.49 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.847 -0.615 . . . . 2.2400000000000002 109.584 -178.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.3 p -84.5 144.46 28.7 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.12 0.486 . . . . 2.7799999999999998 111.969 -176.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 17.2 m -97.79 128.16 44.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.829 -0.623 . . . . 2.6899999999999999 109.574 175.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 18.1 p-80 -104.11 135.69 45.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.914 0.388 . . . . 3.71 111.086 -176.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.589 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 13.9 t -116.06 171.28 7.9 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.707 -0.849 . . . . 1.48 108.707 175.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.404 ' HA ' ' O ' ' A' ' 102' ' ' ILE . 88.9 m-85 -117.47 116.99 28.24 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.992 0.425 . . . . 1.75 110.942 -174.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.1 m -111.66 149.37 14.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.803 -0.635 . . . . 1.0800000000000001 111.11 -177.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -75.61 114.9 14.72 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.769 -0.65 . . . . 3.8199999999999998 110.445 179.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.89 146.68 50.55 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.175 -0.466 . . . . 1.1299999999999999 110.446 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 28.9 tp -82.13 109.18 16.2 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.464 -0.939 . . . . 1.45 108.464 175.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 76.9 p -115.84 162.34 17.46 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 116.107 -0.497 . . . . 1.1399999999999999 111.062 -175.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.9 t -136.32 137.71 40.93 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 109.617 -0.512 . . . . 1.3200000000000001 109.617 175.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -103.69 -10.5 18.31 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.881 0.372 . . . . 2.4700000000000002 110.332 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.524 ' HG3' ' H ' ' A' ' 95' ' ' LYS . 7.0 pt-20 -162.26 -58.81 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.934 -0.576 . . . . 3.0899999999999999 110.905 176.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.524 ' H ' ' HG3' ' A' ' 94' ' ' GLU . 99.7 mttt -145.6 -54.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.771 0.319 . . . . 3.29 110.97 -177.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 30.1 tp60 -68.55 112.33 5.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.303 -0.408 . . . . 2.7400000000000002 111.071 -178.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.88 137.49 43.74 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.947 -0.57 . . . . 1.4399999999999999 110.2 177.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.76 151.25 37.66 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.25 -0.432 . . . . 1.3799999999999999 110.542 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -81.87 121.6 26.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.169 -0.469 . . . . 2.3500000000000001 111.058 -178.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.437 ' HB3' ' OD1' ' A' ' 30' ' ' ASP . 24.9 mmt180 -128.33 176.54 7.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.849 -0.614 . . . . 3.48 110.318 179.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -113.94 112.79 23.9 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.234 -0.654 . . . . 1.98 109.234 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 42.6 pt -113.2 146.82 17.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.134 0.492 . . . . 0.85999999999999999 111.007 -174.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.589 ' HA ' ' O ' ' A' ' 85' ' ' THR . 12.5 ptm180 -78.45 131.23 36.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.505 -0.771 . . . . 3.71 111.16 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 44.5 pt -127.37 136.01 61.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.686 -0.688 . . . . 0.82999999999999996 109.252 168.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.47 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 10.1 m-20 -75.67 105.78 6.89 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.278 -0.638 . . . . 1.6899999999999999 109.278 178.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.0 t -103.84 -8.82 19.46 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.778 -0.646 . . . . 2.29 112.13 -167.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -156.92 164.39 38.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.585 0.231 . . . . 1.1399999999999999 111.135 -178.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 46.9 t -126.95 120.52 29.31 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.448 -0.575 . . . . 1.5600000000000001 109.448 178.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 25.2 m -117.62 160.57 17.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.832 0.349 . . . . 1.0700000000000001 111.065 -175.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 41.7 t -106.42 122.2 45.8 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.972 -0.558 . . . . 1.45 110.542 -178.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.553 HG22 ' O ' ' A' ' 79' ' ' TYR . 14.7 m -94.69 148.39 5.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 C-N-CA 121.117 -0.233 . . . . 1.52 110.629 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.417 HD11 HG12 ' B' ' 14' ' ' VAL . 67.8 mt -128.07 136.7 51.57 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.864 -0.421 . . . . 1.6699999999999999 109.864 176.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 77' ' ' ASN . 11.6 p -177.01 87.54 0.03 OUTLIER 'General case' 0 C--O 1.219 -0.5 0 N-CA-C 112.182 0.438 . . . . 2.6200000000000001 112.182 175.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.526 ' HB3' ' O ' ' A' ' 75' ' ' HIS . 6.9 tpm_? . . . . . 0 C--N 1.324 -0.525 0 O-C-N 121.009 -1.057 . . . . 6.7300000000000004 109.924 162.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . 0.494 ' HB2' ' HB ' ' A' ' 111' ' ' VAL . 23.6 m-85 . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 120.797 0.332 . . . . 3.6499999999999999 110.438 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 37.2 t -150.51 146.81 26.84 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.443 -0.576 . . . . 2.4199999999999999 109.443 176.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.417 HG12 HD11 ' A' ' 112' ' ' LEU . 34.6 m -69.03 -14.89 19.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 115.95 -0.568 . . . . 1.4099999999999999 110.502 178.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 81.8 m -113.18 136.77 52.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.266 -0.879 . . . . 1.75 110.116 177.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . 0.487 ' HB2' ' HB3' ' B' ' 60' ' ' ALA . 14.3 m-20 -65.77 113.82 4.59 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 109.314 -0.624 . . . . 2.8700000000000001 109.314 176.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 19.2 m -117.54 135.95 53.59 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.543 -0.753 . . . . 1.72 110.449 -174.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 3.7 p -117.42 114.8 46.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.092 0.473 . . . . 1.51 110.132 176.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.408 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 61.4 m -96.03 119.62 34.85 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.147 -0.478 . . . . 1.6599999999999999 110.228 179.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 59.9 t -119.37 137.84 52.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 116.041 -0.527 . . . . 1.03 110.314 -178.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 87.4 m95 -99.22 95.59 7.18 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.477 -0.935 . . . . 1.6100000000000001 108.477 171.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . 0.496 ' HB ' ' HB2' ' B' ' 53' ' ' PHE . 41.8 t -79.09 135.56 25.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.855 -0.611 . . . . 0.95999999999999996 109.827 -176.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -100.75 -7.61 50.45 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.544 -0.836 . . . . 1.27 112.597 -177.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.475 ' H ' HG12 ' B' ' 22' ' ' VAL . 24.3 t70 -148.68 105.52 3.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.898 0.38 . . . . 3.0099999999999998 111.096 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.571 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 88.1 tttt -128.72 100.87 5.88 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.641 -0.874 . . . . 1.3200000000000001 108.641 174.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.425 ' O ' ' HA ' ' B' ' 37' ' ' THR . 9.3 t -81.3 -13.3 58.58 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.713 0.634 . . . . 1.8200000000000001 112.713 -168.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.2 p -143.07 135.94 27.83 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.769 0.318 . . . . 1.0 111.157 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.83 169.76 19.1 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.974 -0.557 . . . . 0.79000000000000004 110.344 177.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . 0.454 ' HB ' ' HG2' ' B' ' 103' ' ' ARG . 12.9 m -102.46 120.23 40.16 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.152 -0.476 . . . . 1.01 110.496 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . 0.437 ' OD1' ' HB3' ' B' ' 100' ' ' ARG . 12.7 t70 -67.73 159.82 29.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.88 -0.6 . . . . 1.8400000000000001 109.66 176.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 11.3 tt -55.26 -28.27 21.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.883 0.373 . . . . 1.3300000000000001 111.513 -179.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -78.46 -11.61 59.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.322 -0.399 . . . . 2.2200000000000002 110.996 -177.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.45 25.61 10.78 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.823 -0.703 . . . . 1.25 112.217 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -102.44 143.65 31.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.553 0.216 . . . . 2.1400000000000001 110.853 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -87.25 115.53 24.71 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.035 -0.728 . . . . 2.1899999999999999 109.035 174.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 18.4 m -123.12 149.19 26.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 120.916 0.388 . . . . 1.01 111.657 -175.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' B' ' 26' ' ' THR . 21.0 m -82.62 109.74 17.07 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.393 -0.822 . . . . 1.04 109.635 177.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.571 ' HB ' ' O ' ' B' ' 25' ' ' LYS . 48.6 t -88.77 135.04 26.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.939 -0.573 . . . . 1.1000000000000001 110.734 -175.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 42.5 mt -103.27 119.68 39.33 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.525 -0.546 . . . . 1.9099999999999999 109.525 178.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.0 -21.85 63.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.225 0.536 . . . . 2.1800000000000002 110.218 179.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.425 ' OE1' ' HB3' ' B' ' 50' ' ' ARG . 10.9 mm-40 -105.14 115.44 30.27 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.935 -1.029 . . . . 3.5899999999999999 108.535 176.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.507 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 20.1 m -102.01 128.08 54.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 120.529 -0.469 . . . . 2.3900000000000001 110.453 -178.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -102.92 117.42 34.57 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.424 0.63 . . . . 3.25 110.612 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 52.2 mt -118.11 88.68 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.638 -0.71 . . . . 2.77 109.159 175.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . 0.49 ' N ' HD22 ' B' ' 45' ' ' ASN . 0.9 OUTLIER 63.96 54.03 1.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.697 -0.683 . . . . 3.8399999999999999 110.033 -178.905 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 15.4 m120 73.48 -12.29 0.84 Allowed 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 114.993 -1.003 . . . . 4.7599999999999998 112.254 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 30.2 m -84.25 113.8 21.37 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.028 -0.73 . . . . 3.3300000000000001 109.028 175.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.507 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 41.7 t -112.96 129.38 68.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.105 -0.498 . . . . 2.3799999999999999 110.857 -175.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . 0.422 ' O ' HG22 ' B' ' 42' ' ' VAL . 49.8 p90 -138.54 154.36 48.75 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.019 -0.734 . . . . 4.1299999999999999 109.019 172.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.425 ' HB3' ' OE1' ' B' ' 41' ' ' GLU . 35.2 ptt180 -97.45 153.33 18.19 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.107 0.48 . . . . 4.8399999999999999 111.319 -173.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -117.32 158.11 24.96 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.644 -0.707 . . . . 4.5599999999999996 109.96 176.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -117.48 138.4 51.89 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.28 -0.637 . . . . 2.4500000000000002 109.28 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . 0.496 ' HB2' ' HB ' ' B' ' 22' ' ' VAL . 28.4 m-85 -98.83 109.48 22.23 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.883 -0.414 . . . . 1.1599999999999999 109.883 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -84.2 99.13 10.33 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.971 -0.559 . . . . 3.5600000000000001 109.962 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . 0.464 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 23.8 mt-10 -112.69 112.29 23.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.134 -0.485 . . . . 1.49 110.608 -178.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.408 ' HA ' ' HA ' ' B' ' 19' ' ' SER . 48.5 m -99.61 108.66 21.11 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.095 -0.706 . . . . 1.0700000000000001 109.095 175.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -110.2 152.35 26.19 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.031 -0.531 . . . . 2.48 111.462 -171.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 45.7 m -83.55 93.11 7.77 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.283 -0.872 . . . . 1.73 109.578 178.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -69.87 -23.28 63.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.175 0.512 . . . . 3.4900000000000002 110.28 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . 0.487 ' HB3' ' HB2' ' B' ' 16' ' ' ASP . . . -133.77 102.98 5.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.761 -0.654 . . . . 2.5800000000000001 109.577 173.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . 0.456 ' HA ' ' HB2' ' B' ' 80' ' ' CYS . 26.1 t -74.54 -26.53 60.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.214 0.531 . . . . 2.7599999999999998 110.06 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -132.92 82.32 55.53 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.722 -0.672 . . . . 2.5899999999999999 109.709 175.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' PRO . . . . . 0.432 ' HG2' ' HA ' ' B' ' 68' ' ' CYS . 11.3 Cg_endo -56.44 -33.68 92.74 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.507 2.138 . . . . 2.5699999999999998 112.315 178.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 35.4 m -109.86 -177.9 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.705 -0.225 . . . . 2.5299999999999998 110.554 176.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -49.44 -41.73 40.83 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.244 0.831 . . . . 4.2000000000000002 113.244 -173.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 48.8 m -149.99 53.1 0.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 O-C-N 122.061 -0.399 . . . . 3.8999999999999999 111.877 -177.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.93 -150.04 21.95 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 119.852 -1.166 . . . . 2.6000000000000001 113.147 174.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.432 ' HA ' ' HG2' ' B' ' 63' ' ' PRO . 35.6 m -93.99 166.15 12.3 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.73 0.312 . . . . 1.74 110.613 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -69.83 121.96 18.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.349 -0.387 . . . . 3.9500000000000002 110.624 -177.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 103.62 -26.2 24.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.967 -0.635 . . . . 1.6000000000000001 112.408 178.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 51.4 mm -74.37 135.35 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.861 0.362 . . . . 1.6499999999999999 111.429 -176.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -85.77 105.59 16.41 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.425 -0.583 . . . . 3.3199999999999998 109.425 176.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.478 ' HA ' ' O ' ' B' ' 76' ' ' TRP . 35.2 m -60.26 -22.34 62.96 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.19 -0.459 . . . . 4.6299999999999999 111.835 -176.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -76.03 -28.65 57.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.679 0.276 . . . . 3.0600000000000001 111.014 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' HIS . . . . . 0.546 ' O ' ' HB3' ' B' ' 114' ' ' ARG . 20.1 m-70 -95.81 -27.01 15.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.845 0.355 . . . . 3.5099999999999998 110.869 179.481 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' TRP . . . . . 0.478 ' O ' ' HA ' ' B' ' 73' ' ' SER . 93.8 m95 -142.99 128.08 18.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 3.1699999999999999 110.908 -178.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' ASN . . . . . 0.415 ' HB3' ' O ' ' B' ' 113' ' ' SER . 23.7 t-20 -81.59 134.25 35.47 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 106.533 -1.655 . . . . 2.7000000000000002 106.533 167.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 47.3 t -140.15 148.03 41.04 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.432 0.634 . . . . 1.9299999999999999 112.263 -164.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . 0.546 ' O ' HG22 ' B' ' 111' ' ' VAL . 38.4 p90 -165.16 160.32 18.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.805 -1.089 . . . . 3.73 108.727 172.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.456 ' HB2' ' HA ' ' B' ' 61' ' ' SER . 33.5 m -99.84 133.48 44.14 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.495 -0.321 . . . . 1.6699999999999999 110.804 -177.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 13.6 t -132.24 147.61 52.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.818 -0.628 . . . . 2.25 109.673 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.5 p -84.89 144.05 28.63 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.121 0.486 . . . . 2.7799999999999998 111.945 -176.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 15.9 m -97.34 128.19 43.95 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.823 -0.626 . . . . 2.6899999999999999 109.633 175.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 17.7 p-80 -104.25 135.69 45.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.008 0.432 . . . . 3.71 111.009 -176.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.593 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 14.0 t -116.06 171.4 7.82 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.646 -0.872 . . . . 1.48 108.646 175.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.405 ' HA ' ' O ' ' B' ' 102' ' ' ILE . 88.6 m-85 -117.6 116.77 27.75 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.027 0.441 . . . . 1.75 110.853 -174.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 23.1 m -111.58 149.41 14.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.857 -0.611 . . . . 1.0800000000000001 111.048 -177.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -75.7 114.96 14.88 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.89 -0.595 . . . . 3.8199999999999998 110.41 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.81 146.87 50.46 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.18 -0.463 . . . . 1.1299999999999999 110.379 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 29.4 tp -82.44 109.31 16.56 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 108.431 -0.952 . . . . 1.45 108.431 175.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 77.0 p -115.73 162.3 17.47 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 116.222 -0.444 . . . . 1.1499999999999999 111.136 -175.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 7.9 t -136.13 137.77 41.33 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 109.706 -0.479 . . . . 1.3200000000000001 109.706 175.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -103.85 -10.27 18.35 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.309 -0.405 . . . . 2.46 110.226 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . 0.514 ' HG3' ' H ' ' B' ' 95' ' ' LYS . 6.8 pt-20 -162.78 -58.27 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.024 -0.534 . . . . 3.0899999999999999 111.051 177.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 95' ' ' LYS . . . . . 0.514 ' H ' ' HG3' ' B' ' 94' ' ' GLU . 99.6 mttt -145.93 -54.38 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.635 0.255 . . . . 3.2999999999999998 110.967 -177.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -68.51 112.44 5.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 2.7400000000000002 111.112 -178.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.22 137.19 42.9 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.876 -0.602 . . . . 1.4399999999999999 110.11 177.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.49 150.91 37.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.282 -0.417 . . . . 1.3899999999999999 110.348 -178.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -81.62 121.77 26.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.231 -0.441 . . . . 2.3500000000000001 111.166 -178.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 100' ' ' ARG . . . . . 0.437 ' HB3' ' OD1' ' B' ' 30' ' ' ASP . 24.7 mmt180 -128.45 176.52 7.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.906 -0.588 . . . . 3.48 110.238 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -113.95 112.89 24.04 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.213 -0.662 . . . . 1.98 109.213 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 102' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' B' ' 86' ' ' PHE . 42.5 pt -113.16 146.88 17.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.106 0.479 . . . . 0.85999999999999999 111.062 -174.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . 0.593 ' HA ' ' O ' ' B' ' 85' ' ' THR . 12.6 ptm180 -78.29 131.55 37.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.45 -0.795 . . . . 3.7200000000000002 111.152 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 44.5 pt -127.73 135.66 62.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.475 -0.784 . . . . 0.82999999999999996 109.277 168.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . 0.464 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 10.8 m-20 -75.27 105.85 6.5 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.255 -0.646 . . . . 1.6899999999999999 109.255 178.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 6.0 t -103.83 -8.96 19.37 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.783 -0.644 . . . . 2.29 112.138 -167.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -156.79 164.41 38.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.646 0.26 . . . . 1.1499999999999999 111.116 -178.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 46.7 t -126.96 120.58 29.44 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.459 -0.571 . . . . 1.5600000000000001 109.459 178.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 24.7 m -117.61 160.73 16.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.925 0.393 . . . . 1.0800000000000001 111.07 -175.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 41.9 t -106.53 122.23 45.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.933 -0.576 . . . . 1.45 110.566 -178.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.546 HG22 ' O ' ' B' ' 79' ' ' TYR . 14.3 m -94.73 148.46 4.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 121.144 -0.222 . . . . 1.52 110.661 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.433 HD11 HG12 ' A' ' 14' ' ' VAL . 67.4 mt -128.19 136.71 51.47 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.811 -0.44 . . . . 1.6699999999999999 109.811 176.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.415 ' O ' ' HB3' ' B' ' 77' ' ' ASN . 11.2 p -177.19 87.5 0.03 OUTLIER 'General case' 0 C--O 1.218 -0.579 0 N-CA-C 112.121 0.415 . . . . 2.6200000000000001 112.121 175.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 114' ' ' ARG . . . . . 0.546 ' HB3' ' O ' ' B' ' 75' ' ' HIS . 7.0 tpm_? . . . . . 0 C--N 1.325 -0.5 0 O-C-N 121.079 -1.013 . . . . 6.7199999999999998 109.966 162.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.412 ' HB2' ' CB ' ' B' ' 111' ' ' VAL . 22.2 m-85 . . . . . 0 CA--C 1.516 -0.349 0 CA-C-O 121.181 0.515 . . . . 3.6499999999999999 110.518 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.2 m -126.48 118.94 25.96 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.648 -0.705 . . . . 2.4199999999999999 109.667 178.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.4 m -57.38 -26.58 26.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-O 121.379 0.609 . . . . 1.4099999999999999 110.226 176.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.8 t -109.63 106.67 16.44 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.367 -0.975 . . . . 1.75 108.367 169.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -55.51 115.68 2.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.206 0.527 . . . . 2.8700000000000001 111.247 -173.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.437 ' HB3' ' CG2' ' A' ' 56' ' ' THR . 50.0 m -125.47 143.65 50.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.6 -0.727 . . . . 1.72 109.927 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.497 ' HB ' ' HD2' ' A' ' 59' ' ' ARG . 7.3 p -115.98 119.94 63.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.007 0.432 . . . . 1.51 110.966 -178.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.408 ' HB2' ' CE2' ' A' ' 54' ' ' PHE . 5.0 p -92.66 115.54 28.2 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.197 -0.456 . . . . 1.6599999999999999 110.611 179.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.1 t -119.89 140.68 43.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.431 -0.349 . . . . 1.03 110.912 -176.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -93.39 96.59 10.03 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.863 -0.791 . . . . 1.6100000000000001 108.863 173.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.9 t -94.82 120.53 44.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.946 -0.57 . . . . 0.95999999999999996 111.425 -173.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -130.26 20.35 5.01 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 111.002 -0.839 . . . . 1.27 111.002 174.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -113.41 -20.59 11.26 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.913 0.338 . . . . 3.02 111.913 -176.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -71.59 148.29 46.76 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.517 -0.473 . . . . 1.3200000000000001 110.03 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.435 ' O ' ' HA ' ' A' ' 37' ' ' THR . 14.9 t -117.11 3.88 12.71 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.47 -0.332 . . . . 1.8200000000000001 111.637 -173.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -144.12 149.27 36.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.693 0.282 . . . . 1.01 111.429 179.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -155.73 167.69 29.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.82 -0.627 . . . . 0.79000000000000004 110.366 174.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 34' ' ' LYS . 11.0 m -96.92 121.2 38.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.942 -0.572 . . . . 1.02 110.777 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -67.07 164.99 16.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.332 -0.849 . . . . 1.8500000000000001 110.277 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.1 tt -61.42 -28.74 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.031 0.443 . . . . 1.3300000000000001 110.838 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -79.45 -9.14 59.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 2.2200000000000002 110.959 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.34 12.74 47.51 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.79 -0.719 . . . . 1.25 112.075 179.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 29' ' ' THR . 35.1 mmtp -84.87 159.94 20.26 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.832 0.349 . . . . 2.1400000000000001 110.551 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -106.79 115.29 29.94 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 108.956 -0.757 . . . . 2.1899999999999999 108.956 173.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.0 m -120.23 152.43 23.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-O 121.023 0.44 . . . . 1.02 111.466 -174.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 26' ' ' THR . 41.2 m -82.14 109.08 16.12 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.199 -0.909 . . . . 1.04 109.839 178.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.517 ' HA ' HG22 ' A' ' 91' ' ' THR . 65.0 t -86.6 125.93 40.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.818 -0.628 . . . . 1.1000000000000001 111.042 -174.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 42.1 mt -99.32 114.57 27.51 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.972 -0.751 . . . . 1.9099999999999999 108.972 176.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.443 ' O ' ' HA ' ' A' ' 50' ' ' ARG . . . -69.31 -19.2 63.88 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.359 0.6 . . . . 2.1800000000000002 110.154 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.548 ' HG2' ' HG2' ' A' ' 50' ' ' ARG . 37.4 mt-10 -105.82 115.43 30.22 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.136 -0.938 . . . . 3.5899999999999999 109.435 177.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.554 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 20.2 m -95.8 137.26 24.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.37 -0.377 . . . . 2.3999999999999999 110.024 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.426 ' H ' HD22 ' A' ' 90' ' ' LEU . 25.5 m-80 -106.58 100.02 9.56 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.163 -0.471 . . . . 3.25 110.236 -176.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.6 mt -112.34 101.33 12.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.986 -0.376 . . . . 2.77 109.986 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.9 m120 58.29 48.25 12.84 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.013 -0.54 . . . . 3.8399999999999999 110.521 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.4 m120 66.92 12.99 9.27 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.678 -0.692 . . . . 4.7599999999999998 111.451 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.3 t -110.66 115.77 30.16 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 109.051 -0.722 . . . . 3.3300000000000001 109.051 176.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.554 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 63.9 t -96.32 130.12 45.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.948 -0.569 . . . . 2.3700000000000001 111.278 -174.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.404 ' O ' HG22 ' A' ' 42' ' ' VAL . 70.4 m-85 -127.13 141.19 51.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.72 -0.673 . . . . 4.1299999999999999 109.805 175.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.548 ' HG2' ' HG2' ' A' ' 41' ' ' GLU . 99.3 mtt180 -101.82 129.02 47.94 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.01 0.433 . . . . 4.8399999999999999 110.887 -179.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -117.19 100.59 7.81 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.073 -0.512 . . . . 4.5599999999999996 110.812 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -73.68 129.36 37.79 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.857 -0.794 . . . . 2.46 108.857 177.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -87.92 129.49 35.21 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.426 -0.352 . . . . 1.1599999999999999 110.856 -174.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.408 ' CE2' ' HB2' ' A' ' 19' ' ' SER . 78.0 t80 -83.4 94.71 8.03 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.944 -0.761 . . . . 3.5600000000000001 108.944 178.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -114.42 121.57 43.99 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.617 -0.72 . . . . 1.49 110.037 -175.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.451 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 32.0 m -98.29 122.16 41.11 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.98 -0.555 . . . . 1.0700000000000001 110.286 179.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -103.13 151.42 22.6 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.035 -0.53 . . . . 2.48 110.161 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.8 t -86.77 106.07 17.42 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.906 -0.588 . . . . 1.73 110.026 -177.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.497 ' HD2' ' HB ' ' A' ' 18' ' ' VAL . 79.6 mtp180 -70.5 -49.54 47.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.939 -0.573 . . . . 3.48 110.517 -178.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -139.71 109.41 6.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.833 -0.621 . . . . 2.5800000000000001 110.44 -177.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.449 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 49.9 m -83.76 -20.32 33.54 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.984 0.421 . . . . 2.7599999999999998 111.23 -178.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -144.4 70.36 15.81 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.293 -0.412 . . . . 2.5899999999999999 110.08 176.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -51.68 -35.41 57.54 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 122.761 2.307 . . . . 2.5699999999999998 112.236 177.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.466 HG11 ' HG2' ' A' ' 69' ' ' ARG . 29.3 m -123.92 177.48 4.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 110.199 -0.297 . . . . 2.5299999999999998 110.199 174.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.91 -47.89 82.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.593 0.235 . . . . 4.1900000000000004 111.424 -177.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.2 p -71.22 -12.39 61.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.873 0.368 . . . . 3.8999999999999999 111.446 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 78' ' ' SER . . . 123.39 -97.33 0.56 Allowed Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 121.134 -0.555 . . . . 2.6000000000000001 111.802 -178.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 74.3 m -99.23 135.58 40.43 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.366 -0.235 . . . . 1.73 110.366 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.466 ' HG2' HG11 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -68.75 105.44 2.31 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-N 116.309 -0.405 . . . . 3.9399999999999999 110.15 -175.906 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 137.47 -32.41 2.4 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.834 -0.698 . . . . 1.6100000000000001 111.558 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.3 mm -63.38 140.21 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 122.586 0.354 . . . . 1.6499999999999999 110.961 -179.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -68.71 107.49 3.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.875 -0.602 . . . . 3.3199999999999998 109.901 178.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.1 p -75.83 -11.61 60.01 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.591 0.589 . . . . 4.6299999999999999 112.591 -172.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -89.91 -35.5 15.56 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.007 0.432 . . . . 3.0600000000000001 110.874 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -97.97 -30.62 12.61 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.172 -0.467 . . . . 3.5099999999999998 111.199 -178.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.535 ' CE3' ' HB3' ' A' ' 112' ' ' LEU . 99.6 m95 -127.83 157.48 40.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.643 0.735 . . . . 3.1699999999999999 111.799 -174.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -121.29 135.11 55.15 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.134 -1.061 . . . . 2.6899999999999999 108.134 169.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.504 ' HB2' ' SG ' ' A' ' 110' ' ' CYS . 12.0 p -121.04 137.23 54.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.034 0.445 . . . . 1.9299999999999999 111.617 -176.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.512 ' O ' HG22 ' A' ' 111' ' ' VAL . 49.7 p90 -153.69 160.63 42.41 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.945 -0.761 . . . . 3.73 108.945 173.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.791 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 73.1 m -102.35 144.03 31.36 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 112.71 0.633 . . . . 1.6699999999999999 112.71 -170.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.482 ' O ' HG22 ' A' ' 109' ' ' VAL . 5.2 t -145.3 141.22 28.36 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.989 -1.005 . . . . 2.2400000000000002 108.807 172.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 108' ' ' CYS . 19.8 p -85.97 133.93 33.9 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.127 0.489 . . . . 2.7799999999999998 111.695 -174.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.439 HG23 ' OG1' ' A' ' 106' ' ' THR . 10.6 t -94.45 147.27 23.41 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.364 -0.976 . . . . 2.6899999999999999 108.364 173.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -132.66 151.18 52.03 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.098 0.475 . . . . 3.71 112.171 -168.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.516 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 13.4 t -124.67 175.97 6.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.428 -0.805 . . . . 1.48 109.118 174.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -125.89 118.08 24.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.796 0.332 . . . . 1.75 110.11 -176.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.0 m -116.59 140.77 37.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.178 -0.465 . . . . 1.0800000000000001 110.391 -178.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 18.8 pttm -82.76 123.55 29.42 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 121.67 0.748 . . . . 3.8199999999999998 110.719 -179.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.8 156.53 43.44 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.936 -1.029 . . . . 1.1299999999999999 109.502 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.426 HD22 ' H ' ' A' ' 43' ' ' ASN . 24.1 tp -75.46 104.69 6.13 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.507 -0.923 . . . . 1.45 108.507 175.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.517 HG22 ' HA ' ' A' ' 38' ' ' VAL . 32.7 p -125.88 158.58 34.74 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.226 -0.443 . . . . 1.1399999999999999 110.122 -175.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.0 t -128.38 135.95 50.25 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.043 0.449 . . . . 1.3200000000000001 110.38 176.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -95.09 -7.01 40.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.995 -0.548 . . . . 2.4700000000000002 110.524 178.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -160.49 -82.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.375 -0.375 . . . . 3.0899999999999999 110.3 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -138.81 7.63 2.51 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 111.77 0.285 . . . . 3.29 111.77 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -118.14 124.74 48.73 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.717 0.294 . . . . 2.7400000000000002 110.314 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -88.26 130.99 34.95 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.12 -0.491 . . . . 1.4399999999999999 110.798 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.78 153.5 38.24 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.252 -0.431 . . . . 1.3799999999999999 110.487 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -77.2 101.86 6.38 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.237 -0.438 . . . . 2.3500000000000001 110.46 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.444 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 38.2 mmt180 -111.87 154.35 25.29 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.497 -0.557 . . . . 3.48 109.497 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -90.67 117.24 29.17 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.872 0.368 . . . . 1.98 110.271 179.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 35.8 pt -112.74 149.82 15.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.086 -0.507 . . . . 0.85999999999999999 110.069 -178.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.516 ' HA ' ' O ' ' A' ' 85' ' ' THR . 17.6 ptp180 -88.36 132.05 34.59 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.725 -0.67 . . . . 3.71 111.231 -174.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 30.5 pt -129.78 140.79 48.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.533 -0.758 . . . . 0.82999999999999996 109.578 173.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -80.1 127.41 32.28 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.844 -0.428 . . . . 1.6899999999999999 109.844 -178.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.439 ' OG1' HG23 ' A' ' 83' ' ' THR . 7.5 p -91.23 -29.43 17.2 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.355 -0.384 . . . . 2.29 111.388 -176.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -168.32 153.11 6.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.415 -0.357 . . . . 1.1399999999999999 111.018 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.791 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 14.6 t -100.14 107.09 18.89 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.294 -1.002 . . . . 1.5600000000000001 108.294 173.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.515 ' O ' ' HA ' ' A' ' 80' ' ' CYS . 21.4 m -89.6 142.72 12.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.149 0.499 . . . . 1.0700000000000001 111.304 -171.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.504 ' SG ' ' HB2' ' A' ' 78' ' ' SER . 37.4 t -92.03 99.83 12.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.074 -0.966 . . . . 1.45 108.66 177.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 79' ' ' TYR . 17.5 m -85.3 152.61 3.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.33 -0.395 . . . . 1.52 110.688 -175.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.535 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . 85.7 mt -110.77 137.69 48.11 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.112 0.482 . . . . 1.6699999999999999 110.179 178.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.4 m -126.61 155.71 42.08 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.737 -0.665 . . . . 2.6200000000000001 109.407 176.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.344 -0.389 . . . . 6.7300000000000004 111.68 -176.751 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . 0.414 ' HB2' ' CB ' ' A' ' 111' ' ' VAL . 22.0 m-85 . . . . . 0 CA--C 1.516 -0.327 0 CA-C-O 121.174 0.512 . . . . 3.6499999999999999 110.456 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 20.1 m -126.32 118.91 26.05 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.512 -0.767 . . . . 2.4199999999999999 109.692 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 27.4 m -57.46 -26.53 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-O 121.453 0.644 . . . . 1.4099999999999999 110.329 176.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 47.5 t -109.44 106.65 16.5 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.949 -1.023 . . . . 1.75 108.372 169.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -55.57 115.69 2.47 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.155 0.502 . . . . 2.8700000000000001 111.195 -173.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . 0.426 ' HB3' ' CG2' ' B' ' 56' ' ' THR . 50.2 m -125.45 143.25 51.08 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.604 -0.725 . . . . 1.72 110.014 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.509 ' HB ' ' HD2' ' B' ' 59' ' ' ARG . 7.3 p -115.53 120.14 63.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.915 0.388 . . . . 1.51 110.891 -178.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.6 p -92.69 115.53 28.19 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.306 -0.406 . . . . 1.6599999999999999 110.637 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 40.9 t -119.88 140.62 43.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.496 -0.32 . . . . 1.03 110.86 -176.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -93.21 96.11 9.8 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.952 -0.759 . . . . 1.6100000000000001 108.952 173.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 45.5 t -94.67 120.41 44.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.08 -0.509 . . . . 0.95999999999999996 111.347 -173.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -130.1 20.26 5.07 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 110.941 -0.864 . . . . 1.27 110.941 174.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -113.31 -20.72 11.27 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.775 0.287 . . . . 3.0099999999999998 111.775 -176.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 21.8 pttm -71.7 148.0 46.86 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.499 -0.481 . . . . 1.3200000000000001 110.148 -178.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' B' ' 37' ' ' THR . 14.8 t -116.56 4.08 13.2 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.391 -0.368 . . . . 1.8200000000000001 111.783 -173.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.47 149.32 35.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.751 0.31 . . . . 1.0 111.361 179.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -155.87 167.69 29.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.962 -0.563 . . . . 0.79000000000000004 110.299 175.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' B' ' 34' ' ' LYS . 11.8 m -96.73 121.28 38.41 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.006 -0.543 . . . . 1.01 110.774 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.9 164.95 16.36 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.309 -0.859 . . . . 1.8400000000000001 110.278 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 14.1 tt -61.41 -28.83 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.93 0.395 . . . . 1.3300000000000001 110.772 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -79.44 -9.01 59.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 2.2200000000000002 110.867 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.96 11.32 50.11 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.684 -0.77 . . . . 1.25 112.237 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.429 ' O ' ' HA ' ' B' ' 29' ' ' THR . 35.1 mmtp -83.72 159.79 21.42 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.788 0.327 . . . . 2.1400000000000001 110.499 179.172 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -106.6 115.54 30.37 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.828 -0.804 . . . . 2.1899999999999999 108.828 173.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 21.6 m -120.49 152.35 23.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.071 0.462 . . . . 1.01 111.542 -175.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . 0.441 ' HA ' ' O ' ' B' ' 26' ' ' THR . 39.6 m -81.83 109.16 15.96 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.22 -0.9 . . . . 1.04 109.836 178.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.536 ' HA ' HG22 ' B' ' 91' ' ' THR . 66.3 t -86.74 125.68 40.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.84 -0.618 . . . . 1.1000000000000001 111.094 -174.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 41.9 mt -99.3 114.14 26.83 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.869 -0.789 . . . . 1.9099999999999999 108.869 176.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.437 ' O ' ' HA ' ' B' ' 50' ' ' ARG . . . -68.86 -18.99 64.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.358 0.599 . . . . 2.1800000000000002 110.341 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.536 ' HG2' ' HG2' ' B' ' 50' ' ' ARG . 37.1 mt-10 -105.78 115.51 30.35 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.16 -0.927 . . . . 3.5899999999999999 109.389 177.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.554 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 19.9 m -95.77 137.26 24.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 110.039 -0.356 . . . . 2.3900000000000001 110.039 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.415 ' H ' HD22 ' B' ' 90' ' ' LEU . 25.5 m-80 -106.57 99.87 9.42 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.15 -0.477 . . . . 3.25 110.22 -176.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 68.3 mt -112.29 101.11 12.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 110.09 -0.337 . . . . 2.77 110.09 178.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 11.8 m120 58.33 48.19 12.84 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.979 -0.555 . . . . 3.8399999999999999 110.535 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 18.8 m120 66.93 13.15 9.34 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.641 -0.709 . . . . 4.7599999999999998 111.463 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 14.2 t -110.6 115.48 29.67 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.847 -0.797 . . . . 3.3300000000000001 108.847 176.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.554 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 64.1 t -96.29 129.83 45.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.877 -0.601 . . . . 2.3799999999999999 111.423 -174.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -126.72 141.13 51.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.876 -0.602 . . . . 4.1299999999999999 109.902 175.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.536 ' HG2' ' HG2' ' B' ' 41' ' ' GLU . 99.3 mtt180 -101.83 129.23 47.99 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.982 0.42 . . . . 4.8399999999999999 110.739 -179.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -117.07 100.76 7.95 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.008 -0.542 . . . . 4.5599999999999996 110.738 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -73.81 129.37 37.77 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.874 -0.787 . . . . 2.4500000000000002 108.874 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -88.05 129.55 35.25 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.475 -0.329 . . . . 1.1599999999999999 110.835 -174.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -83.47 94.83 8.1 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.955 -0.758 . . . . 3.5600000000000001 108.955 178.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -114.55 121.46 43.54 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.517 -0.765 . . . . 1.49 109.927 -175.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 31.4 m -98.27 122.3 41.26 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.964 -0.562 . . . . 1.0700000000000001 110.279 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -103.16 151.46 22.57 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.909 -0.587 . . . . 2.48 110.217 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 4.9 t -86.74 105.79 17.22 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.824 -0.625 . . . . 1.73 110.107 -177.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . 0.509 ' HD2' ' HB ' ' B' ' 18' ' ' VAL . 79.9 mtp180 -70.4 -49.21 51.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.917 -0.583 . . . . 3.4900000000000002 110.666 -177.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -139.98 109.65 6.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.873 -0.603 . . . . 2.5800000000000001 110.452 -177.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . 0.453 ' HA ' ' SG ' ' B' ' 80' ' ' CYS . 51.0 m -84.19 -19.89 33.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.364 -0.38 . . . . 2.7599999999999998 111.102 -178.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -144.78 70.19 15.03 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.189 -0.46 . . . . 2.5899999999999999 110.081 177.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo -51.48 -35.8 56.79 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 122.797 2.331 . . . . 2.5699999999999998 112.158 177.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' VAL . . . . . 0.468 HG11 ' HG2' ' B' ' 69' ' ' ARG . 28.9 m -123.65 177.47 4.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.39 -0.368 . . . . 2.5299999999999998 110.262 174.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -61.79 -48.38 80.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.815 0.34 . . . . 4.2000000000000002 111.443 -177.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 11.3 p -71.28 -11.72 61.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.507 -0.315 . . . . 3.8999999999999999 111.551 -177.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.16 -97.52 0.58 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 121.032 -0.604 . . . . 2.6000000000000001 111.765 -178.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 74.3 m -98.99 135.32 40.56 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.595 0.236 . . . . 1.74 110.484 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . 0.468 ' HG2' HG11 ' B' ' 64' ' ' VAL . 0.0 OUTLIER -68.29 105.47 2.14 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.32 -0.4 . . . . 3.9500000000000002 110.213 -175.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 137.47 -32.49 2.39 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.75 -0.738 . . . . 1.6000000000000001 111.507 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 49.2 mm -63.18 140.07 20.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 O-C-N 123.863 0.39 . . . . 1.6499999999999999 111.057 -179.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -68.57 107.55 2.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.936 -0.575 . . . . 3.3199999999999998 109.908 178.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 5.8 p -75.58 -12.11 60.15 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.651 0.611 . . . . 4.6299999999999999 112.651 -172.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -89.84 -35.45 15.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.811 0.339 . . . . 3.0600000000000001 110.831 -177.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -97.77 -30.8 12.58 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.235 -0.438 . . . . 3.5099999999999998 111.23 -178.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' TRP . . . . . 0.534 ' CE3' ' HB3' ' B' ' 112' ' ' LEU . 99.6 m95 -127.69 157.66 39.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.622 0.725 . . . . 3.1699999999999999 111.876 -174.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -121.28 135.15 55.15 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.814 -1.085 . . . . 2.7000000000000002 108.205 169.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.503 ' HB2' ' SG ' ' B' ' 110' ' ' CYS . 12.0 p -121.06 137.57 54.59 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.054 0.454 . . . . 1.9299999999999999 111.727 -176.228 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . 0.505 ' O ' HG22 ' B' ' 111' ' ' VAL . 49.3 p90 -154.03 160.64 42.1 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.934 -0.765 . . . . 3.73 108.934 173.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.783 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 73.3 m -102.37 143.84 31.62 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 112.749 0.648 . . . . 1.6699999999999999 112.749 -170.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.466 ' O ' HG22 ' B' ' 109' ' ' VAL . 5.0 t -145.12 141.14 28.52 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.988 -1.005 . . . . 2.25 108.747 172.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' B' ' 108' ' ' CYS . 19.8 p -85.79 133.86 33.96 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.927 0.394 . . . . 2.7799999999999998 111.787 -175.173 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . 0.44 HG23 ' OG1' ' B' ' 106' ' ' THR . 9.9 t -94.2 147.09 23.52 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.338 -0.986 . . . . 2.6899999999999999 108.338 173.245 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -132.25 151.58 51.75 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.056 0.455 . . . . 3.71 112.118 -168.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.527 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 13.6 t -125.05 176.03 6.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.335 -0.848 . . . . 1.48 109.085 174.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -125.94 118.15 24.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.852 0.358 . . . . 1.75 110.176 -177.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 19.1 m -116.63 140.7 37.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.191 -0.459 . . . . 1.0800000000000001 110.411 -178.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . 0.446 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 18.9 pttm -82.72 123.59 29.44 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.615 0.721 . . . . 3.8199999999999998 110.675 -179.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.74 156.52 43.4 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.003 -0.999 . . . . 1.1299999999999999 109.462 177.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . 0.415 HD22 ' H ' ' B' ' 43' ' ' ASN . 24.0 tp -75.43 104.7 6.1 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.565 -0.902 . . . . 1.45 108.565 174.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' THR . . . . . 0.536 HG22 ' HA ' ' B' ' 38' ' ' VAL . 33.4 p -125.97 158.78 34.38 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.229 -0.441 . . . . 1.1499999999999999 110.099 -175.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 11.5 t -128.75 135.76 49.64 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.018 0.437 . . . . 1.3200000000000001 110.228 176.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -94.76 -7.54 40.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.984 -0.553 . . . . 2.46 110.561 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -160.16 -81.45 0.05 OUTLIER 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.289 -0.414 . . . . 3.0899999999999999 110.468 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -139.35 7.4 2.38 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 111.719 0.266 . . . . 3.2999999999999998 111.719 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -117.89 125.24 50.11 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.764 0.316 . . . . 2.7400000000000002 110.256 178.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -88.64 130.56 35.26 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.323 -0.399 . . . . 1.4399999999999999 110.764 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.46 153.33 38.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.183 -0.462 . . . . 1.3899999999999999 110.42 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -76.98 101.72 6.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.231 -0.441 . . . . 2.3500000000000001 110.579 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 100' ' ' ARG . . . . . 0.446 ' O ' ' HA ' ' B' ' 88' ' ' LYS . 38.2 mmt180 -111.8 154.36 25.19 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.485 -0.561 . . . . 3.48 109.485 -179.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -90.81 117.03 29.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.417 -0.356 . . . . 1.98 110.321 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 35.0 pt -112.64 149.88 15.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.106 -0.497 . . . . 0.85999999999999999 109.94 -178.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . 0.527 ' HA ' ' O ' ' B' ' 85' ' ' THR . 17.6 ptp180 -88.3 132.2 34.49 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.68 -0.691 . . . . 3.7200000000000002 111.269 -174.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 30.4 pt -129.97 140.76 48.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.619 -0.719 . . . . 0.82999999999999996 109.532 173.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -80.11 127.18 32.0 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.974 -0.38 . . . . 1.6899999999999999 109.974 -178.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 106' ' ' THR . . . . . 0.44 ' OG1' HG23 ' B' ' 83' ' ' THR . 7.3 p -91.22 -29.2 17.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.438 -0.347 . . . . 2.29 111.412 -176.152 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -168.46 152.97 6.07 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.462 -0.336 . . . . 1.1499999999999999 110.976 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . 0.783 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 14.4 t -99.94 106.89 18.75 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.29 -1.004 . . . . 1.5600000000000001 108.29 173.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.513 ' O ' ' HA ' ' B' ' 80' ' ' CYS . 21.5 m -89.4 142.87 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.118 0.485 . . . . 1.0800000000000001 111.418 -171.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.503 ' SG ' ' HB2' ' B' ' 78' ' ' SER . 37.3 t -92.04 99.97 12.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.142 -0.935 . . . . 1.45 108.753 177.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.505 HG22 ' O ' ' B' ' 79' ' ' TYR . 17.7 m -85.35 152.61 3.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.327 -0.397 . . . . 1.52 110.542 -175.218 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.534 ' HB3' ' CE3' ' B' ' 76' ' ' TRP . 85.4 mt -110.76 137.74 48.04 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 121.047 0.451 . . . . 1.6699999999999999 110.292 178.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 22.4 m -126.82 155.62 42.6 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.665 -0.698 . . . . 2.6200000000000001 109.522 176.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 . . . . . 0 C--N 1.324 -0.5 0 CA-C-N 116.304 -0.407 . . . . 6.7199999999999998 111.762 -176.771 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 . . . . . 0 CA--C 1.519 -0.227 0 CA-C-O 121.171 0.51 . . . . 3.6499999999999999 111.511 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.2 m -103.3 134.23 47.05 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.467 -0.788 . . . . 2.4199999999999999 109.358 175.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.3 m -62.37 -18.02 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 121.09 0.472 . . . . 1.4099999999999999 111.132 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.2 t -125.29 126.99 45.99 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.196 -1.038 . . . . 1.75 108.196 171.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -54.1 115.01 1.82 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.381 0.61 . . . . 2.8700000000000001 112.282 -171.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.4 m -128.22 145.54 51.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.262 -0.881 . . . . 1.72 109.824 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -117.52 122.28 69.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.889 0.376 . . . . 1.51 110.625 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.421 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 4.6 p -94.77 113.97 25.8 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.181 0.515 . . . . 1.6599999999999999 110.565 179.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.9 t -119.58 138.33 50.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.146 -0.479 . . . . 1.03 110.901 -177.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -97.12 96.13 8.24 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.173 -0.677 . . . . 1.6100000000000001 109.173 172.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.2 t -83.43 108.57 16.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.927 -0.578 . . . . 0.95999999999999996 110.45 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.3 6.78 56.1 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.672 -0.775 . . . . 1.27 111.87 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -137.85 42.39 2.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.762 0.315 . . . . 3.02 110.798 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -76.29 130.31 37.96 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.797 -0.445 . . . . 1.3200000000000001 109.797 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 37' ' ' THR . 8.8 t -115.99 -17.19 10.99 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.507 0.558 . . . . 1.8200000000000001 112.507 -175.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.7 p -137.59 141.76 41.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.875 -0.516 . . . . 1.01 111.652 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.417 ' HB1' ' HB ' ' A' ' 102' ' ' ILE . . . -154.64 163.78 39.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.988 -0.551 . . . . 0.79000000000000004 110.454 174.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.4 m -103.2 121.03 41.83 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.136 -0.483 . . . . 1.02 110.686 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.471 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 20.2 t70 -65.15 162.8 16.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.325 -0.852 . . . . 1.8500000000000001 110.351 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.467 ' HA ' ' CE2' ' A' ' 86' ' ' PHE . 16.8 tt -59.9 -27.48 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.72 0.295 . . . . 1.3300000000000001 111.603 -178.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -83.7 -9.55 58.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 2.2200000000000002 111.078 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.95 20.2 14.89 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.563 -0.827 . . . . 1.25 112.749 177.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -95.59 125.76 40.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.887 -0.184 . . . . 2.1400000000000001 110.705 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -81.7 115.04 20.77 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.204 -0.665 . . . . 2.1899999999999999 109.204 176.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.1 m -125.22 158.67 33.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.937 -0.574 . . . . 1.02 111.398 -173.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 26' ' ' THR . 31.7 m -85.93 114.54 22.92 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.292 -0.867 . . . . 1.04 110.552 -179.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.46 ' HA ' HG22 ' A' ' 91' ' ' THR . 59.6 t -83.58 132.82 30.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.718 -0.674 . . . . 1.1000000000000001 110.466 -177.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.0 mt -93.95 117.97 30.84 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.929 -0.767 . . . . 1.9099999999999999 108.929 175.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.16 -11.16 60.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.379 0.609 . . . . 2.1800000000000002 110.429 -178.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.499 ' HG2' ' HB3' ' A' ' 50' ' ' ARG . 45.0 mt-10 -132.16 116.33 16.85 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.972 -1.013 . . . . 3.5899999999999999 109.04 175.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 16.2 m -89.8 130.54 38.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.293 0.568 . . . . 2.3999999999999999 110.372 -177.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -99.87 98.88 9.62 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.773 -0.648 . . . . 3.25 109.872 -178.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.7 mm -114.04 91.35 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.197 -0.456 . . . . 2.77 110.199 -178.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.409 HD22 ' N ' ' A' ' 45' ' ' ASN . 0.9 OUTLIER 59.23 56.86 3.67 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.602 -0.727 . . . . 3.8399999999999999 110.433 179.159 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 74.57 -20.53 0.32 Allowed 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.363 -0.835 . . . . 4.7599999999999998 111.825 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.9 t -85.61 115.27 23.2 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.515 -0.55 . . . . 3.3300000000000001 109.515 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.499 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 49.2 t -101.46 123.21 54.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.856 -0.611 . . . . 2.3700000000000001 110.934 -177.075 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.466 ' O ' HG22 ' A' ' 42' ' ' VAL . 84.0 m-85 -116.96 125.62 51.7 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.934 -0.576 . . . . 4.1299999999999999 109.714 175.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.499 ' HB3' ' HG2' ' A' ' 41' ' ' GLU . 14.2 ptp180 -101.81 142.51 33.02 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.701 -0.4 . . . . 4.8399999999999999 110.248 177.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.439 ' HB3' ' HG3' ' B' ' 88' ' ' LYS . 1.0 OUTLIER -116.85 164.72 14.24 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.199 0.523 . . . . 4.5599999999999996 111.251 -179.727 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -123.98 123.16 39.77 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.439 -0.949 . . . . 2.46 108.439 175.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -89.67 116.57 27.9 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 120.826 0.346 . . . . 1.1599999999999999 110.694 -176.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 19' ' ' SER . 84.7 t80 -83.73 94.76 8.22 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.794 -0.639 . . . . 3.5600000000000001 109.642 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -102.03 109.01 20.62 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.614 -0.721 . . . . 1.49 110.183 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.4 m -91.52 96.67 10.61 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.468 -0.938 . . . . 1.0700000000000001 108.468 172.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -101.66 152.11 21.21 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.515 -0.766 . . . . 2.48 110.439 -168.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 6.0 t -82.14 116.07 21.54 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.064 -0.516 . . . . 1.73 110.479 -175.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -74.62 -47.69 30.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.965 -0.561 . . . . 3.48 110.431 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -160.89 125.51 3.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.151 -0.477 . . . . 2.5800000000000001 110.521 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.5 t -78.96 135.15 36.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.137 -0.483 . . . . 2.7599999999999998 110.108 178.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.7 m120 64.05 74.67 0.41 Allowed Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.807 -0.633 . . . . 2.5899999999999999 111.149 178.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -61.32 -27.27 82.89 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.603 2.202 . . . . 2.5699999999999998 112.507 179.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.8 m -123.64 161.3 26.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.42 -0.354 . . . . 2.5299999999999998 110.206 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -88.78 40.55 0.98 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.344 0.592 . . . . 4.1900000000000004 111.31 -175.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.1 m -150.32 21.91 0.84 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.617 -0.719 . . . . 3.8999999999999999 109.42 175.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.92 -104.2 1.43 Allowed Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.55 -0.75 . . . . 2.6000000000000001 111.631 -176.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 93.3 m -135.19 169.06 18.03 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 110.217 -0.29 . . . . 1.73 110.217 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -67.65 125.66 26.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.773 0.321 . . . . 3.9399999999999999 110.378 -175.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.496 ' O ' ' HA ' ' B' ' 71' ' ' ILE . . . 99.95 -29.71 11.57 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.888 -0.672 . . . . 1.6100000000000001 111.912 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.476 ' HA ' ' O ' ' B' ' 70' ' ' GLY . 30.2 mm -76.91 84.92 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.143 0.497 . . . . 1.6499999999999999 110.253 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -102.2 80.71 2.0 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.416 -0.587 . . . . 3.3199999999999998 109.416 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.1 t -147.69 138.08 23.09 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.656 -0.702 . . . . 4.6299999999999999 110.205 -178.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -91.02 -15.72 29.13 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.006 -0.738 . . . . 3.0600000000000001 109.006 174.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -78.93 -28.75 43.85 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.801 -1.091 . . . . 3.5099999999999998 109.705 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 82.5 m95 -113.09 118.22 34.15 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.812 -0.631 . . . . 3.1699999999999999 111.408 -178.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -96.39 136.44 36.87 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.079 -1.082 . . . . 2.6899999999999999 108.079 169.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.649 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 4.5 m -121.73 148.69 44.29 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 120.929 0.395 . . . . 1.9299999999999999 111.73 -171.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -154.4 156.1 36.21 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.555 -0.748 . . . . 3.73 109.055 171.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.56 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 26.9 m -99.34 139.06 35.54 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.954 0.407 . . . . 1.6699999999999999 111.416 -172.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.1 t -138.37 147.01 42.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.848 -0.615 . . . . 2.2400000000000002 109.588 177.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.9 p -91.67 124.94 36.2 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.191 0.52 . . . . 2.7799999999999998 112.066 -175.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 91.0 m -76.4 138.27 40.28 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.437 -0.949 . . . . 2.6899999999999999 108.437 170.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -124.56 132.37 53.45 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.737 -0.385 . . . . 3.71 110.435 -178.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.62 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 8.9 t -114.36 160.57 18.96 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.175 -0.466 . . . . 1.48 109.753 -178.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.679 ' CE2' ' HB3' ' A' ' 103' ' ' ARG . 83.7 m-85 -120.54 117.22 27.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.805 0.336 . . . . 1.75 110.459 -176.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 31.1 m -113.63 156.15 14.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.249 -0.432 . . . . 1.0800000000000001 110.703 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.447 ' HG3' ' HB3' ' B' ' 51' ' ' GLN . 32.0 mmmt -84.56 113.07 20.97 Favored 'General case' 0 CA--C 1.515 -0.404 0 CA-C-O 120.914 0.388 . . . . 3.8199999999999998 110.144 177.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.57 146.09 50.64 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.87 -0.604 . . . . 1.1299999999999999 109.916 177.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.427 ' HB3' HG12 ' A' ' 42' ' ' VAL . 23.4 tp -77.96 104.45 8.53 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.644 -0.873 . . . . 1.45 108.644 176.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.46 HG22 ' HA ' ' A' ' 38' ' ' VAL . 67.9 p -112.74 145.46 40.48 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.161 -0.472 . . . . 1.1399999999999999 110.36 -176.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.7 t -104.44 126.61 51.69 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.462 0.649 . . . . 1.3200000000000001 110.442 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -70.98 -31.2 67.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.18 -0.918 . . . . 2.4700000000000002 109.929 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -171.62 -58.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.168 -0.924 . . . . 3.0899999999999999 108.515 178.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -125.33 -32.94 2.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.664 -0.698 . . . . 3.29 110.586 172.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -83.73 130.61 34.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.354 -0.384 . . . . 2.7400000000000002 110.93 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.426 ' HB1' ' HG ' ' A' ' 90' ' ' LEU . . . -103.99 137.13 42.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.928 -0.578 . . . . 1.4399999999999999 110.501 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.58 147.45 32.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.226 -0.443 . . . . 1.3799999999999999 110.718 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -73.19 108.22 5.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.131 -0.486 . . . . 2.3500000000000001 110.374 177.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.412 HH21 ' CG ' ' A' ' 30' ' ' ASP . 12.3 mmm180 -114.79 163.89 14.87 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.247 -0.433 . . . . 3.48 110.56 -179.365 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.471 ' O ' ' HA ' ' A' ' 30' ' ' ASP . 75.5 m-85 -89.8 113.23 24.75 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.137 -0.69 . . . . 1.98 109.137 173.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.455 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 40.8 pt -113.3 144.42 20.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 C-N-CA 120.449 -0.5 . . . . 0.85999999999999999 110.752 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.679 ' HB3' ' CE2' ' A' ' 86' ' ' PHE . 19.0 ptp180 -94.03 130.76 40.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.556 -0.747 . . . . 3.71 111.278 -174.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.441 HD13 ' N ' ' A' ' 104' ' ' ILE . 0.2 OUTLIER -131.46 160.38 42.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 CA-C-N 115.889 -0.596 . . . . 0.82999999999999996 110.522 174.636 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -69.11 123.32 20.77 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.485 -0.78 . . . . 1.6899999999999999 110.668 -178.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.404 HG22 HG22 ' B' ' 106' ' ' THR . 2.3 m -96.43 -34.86 11.36 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.567 -0.742 . . . . 2.29 110.701 -177.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -179.34 160.48 1.01 Allowed 'General case' 0 CA--C 1.522 -0.106 0 CA-C-N 115.779 -0.646 . . . . 1.1399999999999999 110.119 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.56 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 39.1 t -113.29 100.99 8.98 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.591 -0.892 . . . . 1.5600000000000001 108.591 171.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' A' ' 80' ' ' CYS . 22.2 m -94.92 152.25 3.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.013 -0.54 . . . . 1.0700000000000001 110.914 -172.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.649 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 32.5 t -104.06 109.44 21.23 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.221 -0.659 . . . . 1.45 109.221 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.461 ' O ' ' HA ' ' A' ' 78' ' ' SER . 13.5 m -86.18 153.14 3.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.165 -0.47 . . . . 1.52 110.47 -175.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.0 mt -108.93 137.55 46.67 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.758 -0.46 . . . . 1.6699999999999999 109.758 177.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 44.5 t -132.22 144.21 50.47 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.243 -0.435 . . . . 2.6200000000000001 110.078 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 114' ' ' ARG . 42.8 ttp180 . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 115.924 -0.58 . . . . 6.7300000000000004 110.14 178.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 . . . . . 0 CA--C 1.52 -0.182 0 CA-C-O 121.211 0.529 . . . . 3.6499999999999999 111.45 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 24.1 m -103.39 134.24 47.1 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.374 -0.83 . . . . 2.4199999999999999 109.509 175.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 28.3 m -62.42 -17.98 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-O 121.126 0.489 . . . . 1.4099999999999999 111.133 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 t -125.22 127.32 46.58 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.14 -1.059 . . . . 1.75 108.14 171.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -53.97 115.16 1.88 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.269 0.557 . . . . 2.8700000000000001 112.426 -171.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 45.0 m -128.66 145.17 51.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.441 -0.799 . . . . 1.72 109.848 178.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -117.36 121.99 68.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 120.946 0.403 . . . . 1.51 110.646 -179.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.425 ' HB2' ' CE1' ' B' ' 54' ' ' PHE . 4.8 p -94.84 113.69 25.47 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.99 0.424 . . . . 1.6599999999999999 110.518 179.012 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 59.0 t -119.32 138.35 50.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.105 -0.498 . . . . 1.03 110.886 -177.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -97.19 96.16 8.24 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.189 -0.671 . . . . 1.6100000000000001 109.189 172.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 40.3 t -83.61 108.57 16.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.941 -0.572 . . . . 0.95999999999999996 110.411 -177.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.12 6.57 56.45 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.577 -0.821 . . . . 1.27 112.007 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -137.75 42.77 2.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.88 0.371 . . . . 3.0099999999999998 110.784 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -76.37 130.67 38.4 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.643 -0.503 . . . . 1.3200000000000001 109.643 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' B' ' 37' ' ' THR . 8.8 t -116.48 -17.07 10.74 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.525 0.565 . . . . 1.8200000000000001 112.525 -175.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 12.1 p -137.82 141.44 40.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.985 -0.447 . . . . 1.0 111.668 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.429 ' HB1' ' HB ' ' B' ' 102' ' ' ILE . . . -154.5 163.57 40.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.985 -0.552 . . . . 0.79000000000000004 110.359 174.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 27.1 m -102.87 121.26 42.14 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.142 -0.481 . . . . 1.01 110.748 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . 0.468 ' HA ' ' O ' ' B' ' 101' ' ' PHE . 20.1 t70 -65.12 162.8 16.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.392 -0.822 . . . . 1.8400000000000001 110.422 179.367 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.469 ' HA ' ' CE2' ' B' ' 86' ' ' PHE . 16.6 tt -60.12 -27.44 39.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.729 0.299 . . . . 1.3300000000000001 111.462 -178.241 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -83.58 -9.67 58.77 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.811 0.338 . . . . 2.2200000000000002 111.115 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.96 20.25 14.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.766 -0.731 . . . . 1.25 112.837 177.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -95.61 126.01 40.6 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.77 -0.253 . . . . 2.1400000000000001 110.465 179.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -82.08 115.07 21.04 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.276 -0.638 . . . . 2.1899999999999999 109.276 176.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 16.1 m -124.96 158.96 32.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.853 -0.612 . . . . 1.01 111.408 -173.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' B' ' 26' ' ' THR . 30.2 m -86.3 114.52 23.17 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.193 -0.912 . . . . 1.04 110.451 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.444 ' HA ' HG22 ' B' ' 91' ' ' THR . 60.5 t -83.37 133.19 29.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.84 -0.618 . . . . 1.1000000000000001 110.556 -177.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 63.5 mt -94.23 117.83 30.69 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.012 -0.736 . . . . 1.9099999999999999 109.012 175.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.14 -10.8 60.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.295 0.569 . . . . 2.1800000000000002 110.523 -178.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.49 ' HG2' ' HB3' ' B' ' 50' ' ' ARG . 44.7 mt-10 -132.47 116.5 16.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.104 -0.953 . . . . 3.5899999999999999 109.122 175.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 16.3 m -89.93 130.46 39.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.308 0.575 . . . . 2.3900000000000001 110.248 -177.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -99.97 99.06 9.76 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.721 -0.672 . . . . 3.25 109.773 -178.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 48.8 mm -114.1 91.22 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.197 -0.456 . . . . 2.77 110.247 -178.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . 0.407 HD22 ' N ' ' B' ' 45' ' ' ASN . 0.9 OUTLIER 59.39 56.58 3.7 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.66 -0.7 . . . . 3.8399999999999999 110.404 179.134 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 74.61 -19.63 0.36 Allowed 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.415 -0.811 . . . . 4.7599999999999998 111.804 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 23.0 t -86.45 115.4 23.93 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.473 -0.566 . . . . 3.3300000000000001 109.473 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.49 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 49.1 t -101.7 122.6 54.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.856 -0.611 . . . . 2.3799999999999999 111.079 -176.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . 0.473 ' O ' HG22 ' B' ' 42' ' ' VAL . 84.7 m-85 -116.38 125.07 51.55 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.926 -0.579 . . . . 4.1299999999999999 109.981 175.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.49 ' HB3' ' HG2' ' B' ' 41' ' ' GLU . 14.3 ptp180 -101.41 142.09 33.31 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.749 -0.38 . . . . 4.8399999999999999 110.57 177.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . 0.447 ' HB3' ' HG3' ' A' ' 88' ' ' LYS . 1.0 OUTLIER -116.51 164.88 13.91 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.175 0.512 . . . . 4.5599999999999996 111.154 -179.56 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -124.12 123.02 39.4 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.391 -0.966 . . . . 2.4500000000000002 108.391 175.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -89.52 116.72 27.9 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.934 0.397 . . . . 1.1599999999999999 110.675 -176.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . 0.425 ' CE1' ' HB2' ' B' ' 19' ' ' SER . 84.8 t80 -83.81 94.89 8.29 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.697 -0.683 . . . . 3.5600000000000001 109.629 -179.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -102.1 109.14 20.77 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.446 -0.797 . . . . 1.49 110.21 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 15.6 m -91.66 96.61 10.54 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.508 -0.923 . . . . 1.0700000000000001 108.508 171.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -101.67 152.04 21.3 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.41 -0.814 . . . . 2.48 110.416 -168.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 6.1 t -82.09 116.34 21.63 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.929 -0.578 . . . . 1.73 110.32 -175.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -74.84 -47.86 28.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.855 -0.611 . . . . 3.4900000000000002 110.405 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -160.63 125.51 3.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.132 -0.486 . . . . 2.5800000000000001 110.638 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 40.4 t -79.06 135.13 36.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.338 -0.392 . . . . 2.7599999999999998 110.056 178.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 19.7 m120 64.01 74.81 0.41 Allowed Pre-proline 0 C--N 1.329 -0.316 0 O-C-N 123.693 0.62 . . . . 2.5899999999999999 111.092 178.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -61.42 -27.37 82.51 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.592 2.194 . . . . 2.5699999999999998 112.599 179.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 29.4 m -123.39 161.22 25.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.388 -0.369 . . . . 2.5299999999999998 110.205 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -88.69 40.43 0.97 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.413 0.625 . . . . 4.2000000000000002 111.274 -175.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 50.2 m -150.06 22.17 0.86 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.609 -0.723 . . . . 3.8999999999999999 109.37 175.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.56 -104.34 1.48 Allowed Glycine 0 N--CA 1.443 -0.864 0 CA-C-N 115.719 -0.673 . . . . 2.6000000000000001 111.594 -176.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 93.2 m -135.0 169.05 18.02 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 110.231 -0.285 . . . . 1.74 110.231 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -67.46 125.76 27.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.795 0.331 . . . . 3.9500000000000002 110.461 -175.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . 0.476 ' O ' ' HA ' ' A' ' 71' ' ' ILE . . . 99.73 -29.81 11.29 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.722 -0.751 . . . . 1.6000000000000001 111.959 -179.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . 0.496 ' HA ' ' O ' ' A' ' 70' ' ' GLY . 30.8 mm -76.9 84.85 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.19 0.519 . . . . 1.6499999999999999 110.299 -179.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -102.09 80.11 1.95 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.305 0.574 . . . . 3.3199999999999998 109.561 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 45.4 t -147.52 138.32 23.44 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.743 -0.662 . . . . 4.6299999999999999 110.249 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -91.03 -15.78 29.01 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.726 0.774 . . . . 3.0600000000000001 109.073 174.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -78.74 -28.83 44.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.722 -1.126 . . . . 3.5099999999999998 109.654 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . 81.6 m95 -113.25 117.85 33.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.8 -0.636 . . . . 3.1699999999999999 111.525 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -95.96 136.41 36.44 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.089 -1.078 . . . . 2.7000000000000002 108.089 169.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.653 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 4.7 m -121.79 148.67 44.36 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.875 0.369 . . . . 1.9299999999999999 111.721 -171.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -154.36 156.01 36.12 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.684 -0.689 . . . . 3.73 109.16 171.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.559 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 25.2 m -99.06 139.46 34.66 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.974 0.416 . . . . 1.6699999999999999 111.389 -172.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 8.9 t -138.69 146.92 42.16 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.734 -0.667 . . . . 2.25 109.49 177.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 14.0 p -91.33 125.65 36.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.103 0.477 . . . . 2.7799999999999998 112.014 -175.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 88.6 m -76.93 138.28 39.59 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.334 -0.987 . . . . 2.6899999999999999 108.334 170.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -124.71 132.44 53.38 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.73 -0.388 . . . . 3.71 110.375 -178.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.622 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 8.9 t -114.39 160.5 19.07 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.066 -0.515 . . . . 1.48 109.716 -178.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . 0.677 ' CE2' ' HB3' ' B' ' 103' ' ' ARG . 83.0 m-85 -120.58 117.45 27.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.833 0.349 . . . . 1.75 110.372 -176.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . 0.412 HG13 HD11 ' B' ' 104' ' ' ILE . 30.8 m -113.79 156.08 14.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.282 -0.417 . . . . 1.0800000000000001 110.697 -179.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . 0.439 ' HG3' ' HB3' ' A' ' 51' ' ' GLN . 32.0 mmmt -84.47 113.24 21.06 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 116.327 -0.397 . . . . 3.8199999999999998 110.212 177.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.71 146.07 50.69 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.918 -0.583 . . . . 1.1299999999999999 109.961 177.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . 0.433 ' HB3' HG12 ' B' ' 42' ' ' VAL . 23.4 tp -77.97 104.49 8.56 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.652 -0.87 . . . . 1.45 108.652 176.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' THR . . . . . 0.444 HG22 ' HA ' ' B' ' 38' ' ' VAL . 67.1 p -112.74 145.39 40.61 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.121 -0.491 . . . . 1.1499999999999999 110.453 -176.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 8.1 t -104.51 126.62 51.76 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.368 0.604 . . . . 1.3200000000000001 110.357 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -70.84 -31.61 68.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.196 -0.911 . . . . 2.46 109.989 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -171.32 -58.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.134 -0.939 . . . . 3.0899999999999999 108.568 178.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -125.86 -32.78 2.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.649 -0.705 . . . . 3.2999999999999998 110.349 173.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -83.89 131.08 34.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.934 0.397 . . . . 2.7400000000000002 110.744 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . 0.419 ' HB1' ' HG ' ' B' ' 90' ' ' LEU . . . -104.41 136.49 43.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.839 -0.619 . . . . 1.4399999999999999 110.682 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.06 147.52 32.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.231 -0.441 . . . . 1.3899999999999999 110.743 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -73.05 107.95 5.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.011 -0.54 . . . . 2.3500000000000001 110.573 177.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 100' ' ' ARG . . . . . 0.408 HH21 ' CG ' ' B' ' 30' ' ' ASP . 12.3 mmm180 -114.68 163.84 14.89 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.347 -0.388 . . . . 3.48 110.56 -179.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.468 ' O ' ' HA ' ' B' ' 30' ' ' ASP . 75.9 m-85 -89.65 113.33 24.78 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.269 -0.641 . . . . 1.98 109.269 173.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 102' ' ' ILE . . . . . 0.467 ' O ' ' HA ' ' B' ' 86' ' ' PHE . 41.0 pt -113.47 144.44 21.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 C-N-CA 120.363 -0.535 . . . . 0.85999999999999999 110.729 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . 0.677 ' HB3' ' CE2' ' B' ' 86' ' ' PHE . 19.0 ptp180 -93.92 131.04 39.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.524 -0.762 . . . . 3.7200000000000002 111.251 -174.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 104' ' ' ILE . . . . . 0.436 ' N ' HD13 ' B' ' 104' ' ' ILE . 0.2 OUTLIER -131.53 160.21 42.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.847 -0.615 . . . . 0.82999999999999996 110.545 174.582 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -68.81 123.25 20.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.444 -0.798 . . . . 1.6899999999999999 110.577 -178.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 106' ' ' THR . . . . . 0.404 HG22 HG22 ' A' ' 106' ' ' THR . 2.4 m -96.48 -34.94 11.31 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.621 -0.718 . . . . 2.29 110.54 -177.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -179.38 160.49 1.0 Allowed 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.846 -0.616 . . . . 1.1499999999999999 110.15 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . 0.559 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 40.0 t -113.11 100.9 8.95 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.676 -0.861 . . . . 1.5600000000000001 108.676 171.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' B' ' 80' ' ' CYS . 21.9 m -94.94 152.14 3.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.032 -0.531 . . . . 1.0800000000000001 110.913 -172.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.653 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 32.6 t -103.94 109.33 21.05 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.18 -0.674 . . . . 1.45 109.18 179.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' B' ' 78' ' ' SER . 13.3 m -86.17 153.17 3.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.334 -0.394 . . . . 1.52 110.697 -175.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 81.4 mt -108.95 137.54 46.7 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.802 -0.444 . . . . 1.6699999999999999 109.802 177.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 43.1 t -132.25 144.41 50.6 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.14 -0.482 . . . . 2.6200000000000001 110.1 178.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 . . . . . 0 C--N 1.323 -0.564 0 CA-C-O 121.241 0.544 . . . . 6.7199999999999998 109.93 178.936 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.601 ' HB2' ' O ' ' B' ' 112' ' ' LEU . 62.9 m-85 . . . . . 0 CA--C 1.519 -0.25 0 N-CA-C 109.566 -0.531 . . . . 3.6499999999999999 109.566 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.0 m -79.76 126.46 30.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.573 -0.739 . . . . 2.4199999999999999 111.713 -172.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.4 m -64.03 -27.89 43.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 115.713 -0.676 . . . . 1.4099999999999999 110.184 173.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.2 t -135.65 128.94 32.0 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.014 -0.994 . . . . 1.75 108.326 173.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -56.39 136.25 53.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.115 0.483 . . . . 2.8700000000000001 111.064 -176.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.444 ' HB3' ' HB3' ' A' ' 108' ' ' CYS . 25.8 p -140.71 145.46 36.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.002 -0.545 . . . . 1.72 111.072 -174.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.52 ' HB ' ' NE ' ' A' ' 59' ' ' ARG . 4.0 p -119.9 116.43 50.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.065 -0.516 . . . . 1.51 111.039 -178.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.453 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 53.9 m -88.05 122.19 31.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.343 -0.389 . . . . 1.6599999999999999 110.097 177.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.2 t -119.52 141.8 37.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.057 -0.52 . . . . 1.03 110.394 -177.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -104.62 97.07 7.02 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.404 -0.591 . . . . 1.6100000000000001 109.404 173.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 56.4 t -71.73 119.04 17.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.487 -0.779 . . . . 0.95999999999999996 110.359 -177.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.504 ' HA2' ' CD1' ' A' ' 52' ' ' TYR . . . -88.08 -6.75 74.79 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.986 -0.626 . . . . 1.27 112.57 -177.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -158.82 84.62 0.82 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.044 0.45 . . . . 3.02 110.342 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.401 ' HE3' ' HB2' ' A' ' 28' ' ' ALA . 58.8 tttp -80.94 138.52 36.1 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.414 -0.587 . . . . 1.3200000000000001 109.414 175.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.3 p -87.39 -64.74 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.33 0.492 . . . . 1.8200000000000001 112.33 -174.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.1 p -134.65 149.63 50.56 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.867 0.365 . . . . 1.01 111.616 -175.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.401 ' HB2' ' HE3' ' A' ' 25' ' ' LYS . . . -149.2 166.99 27.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.041 -0.527 . . . . 0.79000000000000004 110.603 176.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.7 m -101.06 118.59 37.29 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.133 -0.485 . . . . 1.02 110.73 -179.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.421 ' OD2' ' HB3' ' A' ' 100' ' ' ARG . 21.9 t70 -71.54 158.33 36.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.662 -0.699 . . . . 1.8500000000000001 109.454 175.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.8 tt -61.33 -18.92 19.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.876 -0.602 . . . . 1.3300000000000001 111.587 -175.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -90.22 8.82 31.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.998 0.428 . . . . 2.2200000000000002 110.869 178.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.99 22.04 56.01 Favored Glycine 0 N--CA 1.453 -0.191 0 CA-C-N 115.902 -0.59 . . . . 1.25 112.991 174.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -104.67 138.76 40.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.943 0.401 . . . . 2.1400000000000001 111.165 -178.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -90.36 114.6 26.74 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.145 -0.687 . . . . 2.1899999999999999 109.145 174.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.9 m -123.4 157.18 29.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.956 -0.565 . . . . 1.02 111.193 -174.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.404 ' HB ' ' CG2' ' A' ' 92' ' ' THR . 25.7 m -84.0 124.85 31.49 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.416 -0.811 . . . . 1.04 109.714 179.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.425 ' HA ' HG22 ' A' ' 91' ' ' THR . 42.1 t -89.09 137.84 20.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.151 -0.477 . . . . 1.1000000000000001 111.303 -172.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.4 mt -111.54 116.34 30.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.999 -0.546 . . . . 1.9099999999999999 109.721 176.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.453 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . . . -68.96 -23.22 64.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.263 0.554 . . . . 2.1800000000000002 110.336 178.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.409 ' HB3' ' HE ' ' A' ' 50' ' ' ARG . 6.4 pt-20 -105.78 126.29 52.0 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.016 -0.993 . . . . 3.5899999999999999 109.409 176.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.0 m -90.09 98.6 8.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.868 0.842 . . . . 2.3999999999999999 110.398 -178.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -85.37 97.65 10.1 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.236 -0.893 . . . . 3.25 109.459 178.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.409 HG21 HG21 ' B' ' 44' ' ' ILE . 53.3 mt -94.53 -70.7 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.915 -0.584 . . . . 2.77 109.461 179.025 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -163.88 95.18 0.78 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.552 -0.749 . . . . 3.8399999999999999 109.322 175.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.6 t30 74.88 -46.02 0.59 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.5 0.72 . . . . 4.7599999999999998 111.045 -177.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.5 m -77.25 114.53 16.16 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.756 0.312 . . . . 3.3300000000000001 110.22 177.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 16.7 t -135.88 137.53 48.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.766 -0.457 . . . . 2.3700000000000001 109.766 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -153.61 154.16 33.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.956 0.408 . . . . 4.1299999999999999 111.177 177.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.409 ' HE ' ' HB3' ' A' ' 41' ' ' GLU . 93.8 mtt180 -117.74 135.25 54.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.627 -0.715 . . . . 4.8399999999999999 110.017 176.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -120.81 -2.83 9.76 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.356 -0.609 . . . . 4.5599999999999996 109.356 174.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.504 ' CD1' ' HA2' ' A' ' 23' ' ' GLY . 13.3 m-30 71.05 175.79 0.29 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 114.92 -1.037 . . . . 2.46 110.453 -178.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.453 ' CE2' ' HA ' ' A' ' 40' ' ' ALA . 91.3 m-85 -117.35 127.47 54.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.935 0.398 . . . . 1.1599999999999999 111.028 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -84.63 110.57 18.83 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.756 -0.656 . . . . 3.5600000000000001 110.836 -178.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -125.15 116.52 22.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.128 -0.487 . . . . 1.49 109.875 178.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' A' ' 19' ' ' SER . 52.9 m -100.6 110.31 22.45 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.162 0.506 . . . . 1.0700000000000001 109.82 179.025 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -103.2 155.27 18.55 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.65 -0.704 . . . . 2.48 110.734 -172.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 76.7 m -79.6 123.45 27.62 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.831 -0.622 . . . . 1.73 111.22 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.52 ' NE ' ' HB ' ' A' ' 18' ' ' VAL . 81.3 mtt180 -83.46 98.92 9.78 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.118 -0.697 . . . . 3.48 109.118 173.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 64.3 -165.69 0.23 Allowed 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.613 0.57 . . . . 2.5800000000000001 110.239 -176.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.8 p -157.7 139.92 14.4 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 121.236 -0.186 . . . . 2.7599999999999998 111.173 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.481 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 12.9 m120 63.52 74.15 0.45 Allowed Pre-proline 0 N--CA 1.468 0.462 0 O-C-N 123.935 0.772 . . . . 2.5899999999999999 112.013 176.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -65.73 -21.29 58.65 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.422 2.082 . . . . 2.5699999999999998 112.151 176.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.4 m -129.57 158.75 42.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.994 -0.548 . . . . 2.5299999999999998 110.044 178.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' A' ' 66' ' ' SER . 0.3 OUTLIER -83.56 80.44 9.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.074 0.464 . . . . 4.1900000000000004 109.928 -178.012 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 65' ' ' GLU . 9.4 t 174.14 -36.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.41 -0.959 . . . . 3.8999999999999999 108.41 179.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.548 ' HA3' ' HB2' ' A' ' 78' ' ' SER . . . 164.56 -95.45 0.12 Allowed Glycine 0 N--CA 1.44 -1.066 0 CA-C-N 115.505 -0.77 . . . . 2.6000000000000001 111.988 179.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 65.7 m -124.96 168.19 13.65 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.679 -0.489 . . . . 1.73 109.679 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -61.38 121.09 11.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.786 0.327 . . . . 3.9399999999999999 110.293 -177.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' B' ' 71' ' ' ILE . . . 112.07 -32.14 6.52 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.098 -0.572 . . . . 1.6100000000000001 111.77 -176.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 30.0 mm -79.61 125.75 38.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.704 0.288 . . . . 1.6499999999999999 110.308 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -147.96 83.33 1.51 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.438 -0.578 . . . . 3.3199999999999998 109.438 175.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.2 t -145.16 148.39 33.52 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.907 -0.588 . . . . 4.6299999999999999 110.364 -175.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -96.91 -11.38 24.77 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.355 0.598 . . . . 3.0600000000000001 109.405 174.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -86.89 -29.12 22.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.278 -0.874 . . . . 3.5099999999999998 109.897 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.564 ' CE3' ' HB3' ' A' ' 112' ' ' LEU . 94.8 m95 -116.36 138.86 50.99 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.415 -0.811 . . . . 3.1699999999999999 110.742 -177.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -116.26 133.32 56.15 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.102 -1.073 . . . . 2.6899999999999999 108.102 167.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.548 ' HB2' ' HA3' ' A' ' 67' ' ' GLY . 1.4 m -120.58 150.08 41.43 Favored 'General case' 0 C--N 1.315 -0.929 0 C-N-CA 120.369 -0.533 . . . . 1.9299999999999999 110.741 -175.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.5 p90 -155.56 161.72 40.81 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.845 -0.616 . . . . 3.73 109.966 176.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.535 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 9.2 m -84.39 115.2 22.4 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.382 -0.826 . . . . 1.6699999999999999 110.342 -173.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.8 m -124.79 133.26 53.2 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.105 -0.498 . . . . 2.2400000000000002 110.02 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.479 ' HB ' ' HB2' ' A' ' 105' ' ' ASP . 3.2 p -81.48 131.57 35.28 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.096 0.474 . . . . 2.7799999999999998 111.331 178.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.6 p -76.54 123.27 25.81 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.008 -0.542 . . . . 2.6899999999999999 109.642 176.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.556 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 31.3 m80 -105.09 115.88 31.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.241 -0.436 . . . . 3.71 109.937 -176.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.71 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 6.2 t -118.84 162.8 17.88 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.978 -0.378 . . . . 1.48 109.978 -179.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -102.5 116.78 33.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.809 0.338 . . . . 1.75 110.216 -176.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 101' ' ' PHE . 21.6 m -109.7 142.12 23.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.985 -0.552 . . . . 1.0800000000000001 110.962 -178.057 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -77.45 103.11 7.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.61 -0.723 . . . . 3.8199999999999998 110.902 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.04 147.96 50.95 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.508 -0.769 . . . . 1.1299999999999999 110.433 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.7 tp -72.66 118.0 15.04 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.89 -0.782 . . . . 1.45 108.89 174.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.425 HG22 ' HA ' ' A' ' 38' ' ' VAL . 76.8 p -127.0 158.01 38.03 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 116.223 -0.444 . . . . 1.1399999999999999 109.961 -178.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.404 ' CG2' ' HB ' ' A' ' 37' ' ' THR . 11.7 t -120.45 121.4 38.42 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.768 0.794 . . . . 1.3200000000000001 110.224 177.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -69.32 -43.65 73.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.83 -1.077 . . . . 2.4700000000000002 110.421 178.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -165.51 -69.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 3.0899999999999999 110.596 177.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -100.42 -29.84 12.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.912 0.387 . . . . 3.29 111.025 -178.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -108.58 151.08 26.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.915 0.388 . . . . 2.7400000000000002 111.371 -176.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -114.6 135.64 53.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.752 -0.658 . . . . 1.4399999999999999 109.777 175.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.35 159.35 43.46 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.654 0.264 . . . . 1.3799999999999999 110.643 -177.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -74.8 114.6 13.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.166 -0.47 . . . . 2.3500000000000001 110.324 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.421 ' HB3' ' OD2' ' A' ' 30' ' ' ASP . 74.5 mmt-85 -122.08 173.18 7.72 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.992 -0.549 . . . . 3.48 109.781 178.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' A' ' 87' ' ' VAL . 15.5 m-85 -119.73 104.42 10.22 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.03 -0.73 . . . . 1.98 109.03 -174.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 30.0 pt -111.97 143.17 22.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.024 0.44 . . . . 0.85999999999999999 111.464 -168.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.71 ' HA ' ' O ' ' A' ' 85' ' ' THR . 0.1 OUTLIER -79.33 128.39 33.27 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.454 -0.793 . . . . 3.71 111.128 -177.771 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.556 ' O ' ' HA ' ' A' ' 84' ' ' HIS . 45.9 pt -130.12 153.0 38.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.564 -0.744 . . . . 0.82999999999999996 110.104 175.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.479 ' HB2' ' HB ' ' A' ' 82' ' ' THR . 4.3 p-10 -82.9 103.51 12.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.581 0.705 . . . . 1.6899999999999999 110.071 175.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.7 m -90.85 -31.18 16.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.261 -0.881 . . . . 2.29 112.04 -170.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.447 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -150.21 155.47 39.81 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.627 0.251 . . . . 1.1399999999999999 110.557 -178.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.535 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 41.0 t -108.1 108.68 19.87 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.345 -0.613 . . . . 1.5600000000000001 109.345 176.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 17.7 m -109.21 159.1 8.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.901 -0.591 . . . . 1.0700000000000001 110.344 -174.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.449 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 13.4 t -97.81 107.67 20.22 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.75 -0.833 . . . . 1.45 108.75 176.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.491 ' O ' ' HA ' ' A' ' 78' ' ' SER . 27.7 m -93.37 153.47 3.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.32 -0.4 . . . . 1.52 110.83 -175.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.564 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . 97.5 mt -102.08 141.78 34.39 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.08 -0.509 . . . . 1.6699999999999999 110.687 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.2 t -122.66 138.59 54.55 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.741 -0.837 . . . . 2.6200000000000001 108.741 170.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 C--N 1.329 -0.323 0 O-C-N 123.443 0.464 . . . . 6.7300000000000004 111.915 -173.278 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' PHE . . . . . 0.466 ' HB2' ' O ' ' A' ' 112' ' ' LEU . 61.8 m-85 . . . . . 0 CA--C 1.519 -0.244 0 N-CA-C 109.621 -0.511 . . . . 3.6499999999999999 109.621 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 22.9 m -79.72 126.09 30.49 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.625 -0.716 . . . . 2.4199999999999999 111.699 -172.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 19.1 m -63.95 -27.87 43.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 115.733 -0.667 . . . . 1.4099999999999999 110.23 173.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 48.0 t -135.55 129.27 32.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.818 -1.083 . . . . 1.75 108.172 173.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -56.72 136.33 55.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.0 0.429 . . . . 2.8700000000000001 111.155 -177.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . 0.434 ' HB3' ' HB3' ' B' ' 108' ' ' CYS . 29.7 p -140.49 145.62 37.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.121 -0.49 . . . . 1.72 111.062 -174.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.521 ' HB ' ' NE ' ' B' ' 59' ' ' ARG . 3.9 p -120.16 116.47 50.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.206 -0.452 . . . . 1.51 110.99 -178.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.444 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 50.6 m -88.44 121.52 30.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.319 -0.4 . . . . 1.6599999999999999 110.313 177.305 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 50.7 t -118.88 142.12 35.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.977 -0.556 . . . . 1.03 110.403 -177.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -104.75 97.17 7.1 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.37 -0.604 . . . . 1.6100000000000001 109.37 173.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 57.3 t -72.01 118.89 17.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.395 -0.82 . . . . 0.95999999999999996 110.269 -177.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.493 ' HA2' ' CD1' ' B' ' 52' ' ' TYR . . . -88.16 -6.66 74.61 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.008 -0.615 . . . . 1.27 112.667 -177.036 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -158.87 84.63 0.81 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.059 0.457 . . . . 3.0099999999999998 110.321 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -80.94 138.77 36.11 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.328 -0.619 . . . . 1.3200000000000001 109.328 175.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 9.3 p -87.79 -64.46 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.247 0.462 . . . . 1.8200000000000001 112.247 -174.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.1 p -135.01 149.48 50.18 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.956 0.408 . . . . 1.0 111.696 -175.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -149.38 166.76 28.07 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.003 -0.544 . . . . 0.79000000000000004 110.564 177.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 7.0 m -100.79 118.77 37.54 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.984 -0.553 . . . . 1.01 110.579 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -71.81 158.13 36.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.619 -0.719 . . . . 1.8400000000000001 109.479 175.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.8 tt -61.39 -18.58 18.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.905 -0.589 . . . . 1.3300000000000001 111.715 -175.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -90.34 8.44 33.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.974 0.416 . . . . 2.2200000000000002 110.807 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.72 23.24 53.81 Favored Glycine 0 N--CA 1.453 -0.2 0 CA-C-N 115.978 -0.555 . . . . 1.25 113.059 174.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -105.5 138.87 40.99 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.653 0.263 . . . . 2.1400000000000001 111.197 -178.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -90.57 114.76 27.07 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.11 -0.7 . . . . 2.1899999999999999 109.11 174.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 19.9 m -123.41 157.36 29.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.999 -0.546 . . . . 1.01 111.171 -174.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' THR . . . . . 0.414 ' HB ' HG23 ' B' ' 92' ' ' THR . 26.0 m -84.26 124.58 31.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.498 -0.774 . . . . 1.04 109.771 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.43 ' HA ' HG22 ' B' ' 91' ' ' THR . 42.4 t -88.8 137.95 20.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 116.171 -0.468 . . . . 1.1000000000000001 111.304 -172.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 69.3 mt -111.63 116.18 30.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.13 -0.486 . . . . 1.9099999999999999 109.717 176.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.45 ' HA ' ' CE2' ' B' ' 53' ' ' PHE . . . -68.6 -23.09 64.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.447 0.641 . . . . 2.1800000000000002 110.462 178.33 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . 0.401 ' HB3' ' HE ' ' B' ' 50' ' ' ARG . 6.4 pt-20 -106.09 126.19 51.91 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.938 -1.028 . . . . 3.5899999999999999 109.39 177.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 19.1 m -90.11 98.8 8.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 121.904 0.859 . . . . 2.3900000000000001 110.42 -178.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -85.73 97.52 10.19 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.206 -0.906 . . . . 3.25 109.39 178.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.409 HG21 HG21 ' A' ' 44' ' ' ILE . 53.0 mt -94.33 -70.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.781 -0.645 . . . . 2.77 109.428 178.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -164.39 95.15 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.519 -0.764 . . . . 3.8399999999999999 109.155 175.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 10.1 t30 74.83 -45.67 0.58 Allowed 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.893 0.746 . . . . 4.7599999999999998 111.313 -177.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 14.0 m -78.13 114.48 17.04 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.058 -0.349 . . . . 3.3300000000000001 110.058 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 17.0 t -135.8 137.95 48.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.96 -0.564 . . . . 2.3799999999999999 109.621 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -153.82 154.52 34.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.93 0.395 . . . . 4.1299999999999999 111.015 177.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.401 ' HE ' ' HB3' ' B' ' 41' ' ' GLU . 93.7 mtt180 -117.75 135.2 54.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.639 -0.709 . . . . 4.8399999999999999 109.999 176.041 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -120.9 -2.22 9.79 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.363 -0.606 . . . . 4.5599999999999996 109.363 173.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' TYR . . . . . 0.493 ' CD1' ' HA2' ' B' ' 23' ' ' GLY . 13.5 m-30 70.75 175.74 0.29 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 114.777 -1.101 . . . . 2.4500000000000002 110.463 -178.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . 0.45 ' CE2' ' HA ' ' B' ' 40' ' ' ALA . 91.5 m-85 -117.33 127.46 54.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.801 0.334 . . . . 1.1599999999999999 111.036 179.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -84.69 110.64 18.91 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.81 -0.632 . . . . 3.5600000000000001 110.856 -178.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -125.05 116.73 22.58 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.083 -0.508 . . . . 1.49 109.887 177.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' B' ' 19' ' ' SER . 52.7 m -100.6 110.44 22.58 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.101 0.477 . . . . 1.0700000000000001 109.883 178.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -103.23 155.13 18.66 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.706 -0.679 . . . . 2.48 110.704 -172.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 75.7 m -79.62 123.33 27.53 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.901 -0.59 . . . . 1.73 111.124 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' ARG . . . . . 0.521 ' NE ' ' HB ' ' B' ' 18' ' ' VAL . 81.2 mtt180 -83.47 98.91 9.78 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.109 -0.701 . . . . 3.4900000000000002 109.109 174.132 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . 64.59 -165.7 0.23 Allowed 'General case' 0 C--O 1.233 0.226 0 O-C-N 123.594 0.559 . . . . 2.5800000000000001 110.125 -176.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 9.8 p -157.81 140.08 14.41 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 121.188 -0.205 . . . . 2.7599999999999998 111.2 -179.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . 0.476 ' HA ' ' O ' ' B' ' 67' ' ' GLY . 12.6 m120 63.09 74.66 0.44 Allowed Pre-proline 0 N--CA 1.468 0.429 0 O-C-N 123.842 0.714 . . . . 2.5899999999999999 111.774 176.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -65.52 -22.16 59.09 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.394 2.063 . . . . 2.5699999999999998 112.055 176.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 35.4 m -129.06 158.65 41.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.03 -0.532 . . . . 2.5299999999999998 110.062 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' B' ' 66' ' ' SER . 0.3 OUTLIER -83.53 80.8 8.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.134 0.493 . . . . 4.2000000000000002 109.747 -178.211 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' SER . . . . . 0.436 ' HB2' ' O ' ' B' ' 65' ' ' GLU . 9.5 t 173.93 -36.53 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.88 -1.054 . . . . 3.8999999999999999 108.426 178.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.533 ' HA3' ' HB2' ' B' ' 78' ' ' SER . . . 164.45 -95.59 0.12 Allowed Glycine 0 N--CA 1.442 -0.942 0 CA-C-N 115.432 -0.804 . . . . 2.6000000000000001 112.045 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 65.3 m -124.83 168.26 13.49 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.657 -0.497 . . . . 1.74 109.657 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -61.51 120.82 11.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.343 . . . . 3.9500000000000002 110.41 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 112.68 -32.86 5.95 Favored Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 111.483 -0.647 . . . . 1.6000000000000001 111.483 -176.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' ILE . . . . . 0.404 ' HA ' ' O ' ' A' ' 70' ' ' GLY . 30.0 mm -78.97 125.57 38.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 110.259 -0.274 . . . . 1.6499999999999999 110.259 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -147.73 83.27 1.53 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.424 -0.584 . . . . 3.3199999999999998 109.424 175.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 42.3 t -145.15 148.04 33.15 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.016 -0.538 . . . . 4.6299999999999999 110.479 -175.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -96.43 -11.69 25.3 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.302 -0.629 . . . . 3.0600000000000001 109.302 174.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -86.81 -28.98 22.61 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.512 -0.767 . . . . 3.5099999999999998 109.856 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' TRP . . . . . 0.573 ' CE3' ' HB3' ' B' ' 112' ' ' LEU . 95.0 m95 -116.57 138.56 51.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.554 -0.748 . . . . 3.1699999999999999 110.892 -177.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -115.9 133.25 56.22 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.111 -1.07 . . . . 2.7000000000000002 108.111 167.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' SER . . . . . 0.533 ' HB2' ' HA3' ' B' ' 67' ' ' GLY . 1.4 m -120.55 149.94 41.64 Favored 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 120.345 -0.542 . . . . 1.9299999999999999 110.78 -175.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -155.44 161.86 40.88 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.769 -0.65 . . . . 3.73 110.003 176.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' CYS . . . . . 0.544 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 9.0 m -84.45 115.16 22.41 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.364 -0.835 . . . . 1.6699999999999999 110.44 -173.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 88.1 m -124.72 133.24 53.25 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.069 -0.514 . . . . 2.25 110.097 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.488 ' HB ' ' HB2' ' B' ' 105' ' ' ASP . 3.0 p -81.55 131.53 35.28 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-O 120.977 0.417 . . . . 2.7799999999999998 111.282 178.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 15.6 p -76.61 123.54 26.26 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 116.136 -0.483 . . . . 2.6899999999999999 109.735 176.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' HIS . . . . . 0.537 ' HA ' ' O ' ' B' ' 104' ' ' ILE . 31.5 m80 -105.31 115.76 30.81 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.809 -0.441 . . . . 3.71 109.809 -176.14 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.71 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 6.2 t -118.91 162.81 17.88 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.066 -0.346 . . . . 1.48 110.066 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -102.42 116.74 33.25 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.867 0.365 . . . . 1.75 110.212 -176.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' B' ' 101' ' ' PHE . 21.7 m -109.62 142.32 22.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.11 -0.496 . . . . 1.0800000000000001 110.919 -178.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -77.74 103.16 7.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.61 -0.723 . . . . 3.8199999999999998 110.849 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.09 147.95 50.99 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.417 -0.81 . . . . 1.1299999999999999 110.32 -179.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 15.6 tp -72.68 117.77 14.78 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.882 -0.784 . . . . 1.45 108.882 174.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' THR . . . . . 0.43 HG22 ' HA ' ' B' ' 38' ' ' VAL . 77.7 p -126.97 158.01 38.0 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.211 -0.449 . . . . 1.1499999999999999 109.925 -178.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 92' ' ' THR . . . . . 0.414 HG23 ' HB ' ' B' ' 37' ' ' THR . 12.0 t -120.32 121.32 38.36 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.763 0.792 . . . . 1.3200000000000001 110.222 178.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -68.93 -43.79 74.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.975 -1.011 . . . . 2.46 110.461 177.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -165.57 -70.09 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.105 -0.498 . . . . 3.0899999999999999 110.605 177.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -99.61 -30.48 12.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.874 0.368 . . . . 3.2999999999999998 111.161 -178.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -108.19 151.07 26.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.826 0.346 . . . . 2.7400000000000002 111.383 -176.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -114.85 135.13 54.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.756 -0.657 . . . . 1.4399999999999999 109.662 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.03 158.87 43.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.752 0.31 . . . . 1.3899999999999999 110.485 -177.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -74.12 114.99 13.08 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.119 -0.491 . . . . 2.3500000000000001 110.474 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 74.6 mmt-85 -122.45 173.11 7.86 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.956 -0.566 . . . . 3.48 109.852 178.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 101' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' B' ' 87' ' ' VAL . 15.4 m-85 -119.66 104.52 10.34 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.136 -0.69 . . . . 1.98 109.136 -174.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 30.2 pt -111.89 143.21 22.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.181 -0.463 . . . . 0.85999999999999999 111.517 -168.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 103' ' ' ARG . . . . . 0.71 ' HA ' ' O ' ' B' ' 85' ' ' THR . 0.1 OUTLIER -79.34 128.55 33.47 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.529 -0.76 . . . . 3.7200000000000002 111.122 -177.872 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 104' ' ' ILE . . . . . 0.537 ' O ' ' HA ' ' B' ' 84' ' ' HIS . 45.9 pt -130.22 153.05 38.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.447 -0.797 . . . . 0.82999999999999996 110.098 175.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . 0.488 ' HB2' ' HB ' ' B' ' 82' ' ' THR . 4.9 p-10 -83.0 103.47 12.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.523 0.677 . . . . 1.6899999999999999 109.988 176.029 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 8.6 m -90.8 -31.32 16.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.323 -0.853 . . . . 2.29 112.059 -170.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . 0.461 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -150.07 155.3 39.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.683 -0.235 . . . . 1.1499999999999999 110.618 -178.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 108' ' ' CYS . . . . . 0.544 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 42.0 t -107.75 108.87 20.27 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.29 -0.633 . . . . 1.5600000000000001 109.29 176.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 17.6 m -109.28 159.0 8.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.044 -0.525 . . . . 1.0800000000000001 110.424 -175.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 13.6 t -97.73 107.58 20.11 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.727 -0.842 . . . . 1.45 108.727 176.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.479 ' O ' ' HA ' ' B' ' 78' ' ' SER . 27.2 m -93.33 153.58 3.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.295 -0.411 . . . . 1.52 110.795 -175.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.601 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 98.3 mt -102.03 142.25 33.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.973 -0.558 . . . . 1.6699999999999999 110.638 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 32.7 t -123.1 138.51 54.65 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.713 -0.847 . . . . 2.6200000000000001 108.713 170.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 6.7199999999999998 111.948 -173.241 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.477 0.876 0 CA-C-O 120.866 0.365 . . . . 13.98 110.536 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 p -97.88 20.91 11.33 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.104 0.478 . . . . 12.75 111.039 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.4 p -84.35 44.49 1.03 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.085 -0.507 . . . . 11.35 111.625 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 47.8 p-80 -147.2 109.44 3.96 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.996 -0.547 . . . . 10.279999999999999 110.085 178.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -83.24 41.34 1.07 Allowed 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.596 2.198 . . . . 7.6299999999999999 112.055 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.0 t 54.86 46.92 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 115.757 -0.656 . . . . 6.6500000000000004 109.632 -177.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 54.7 t80 65.44 -69.62 0.1 Allowed 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.037 -0.983 . . . . 7.2699999999999996 110.717 -174.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -148.87 51.23 0.98 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.142 -1.058 . . . . 7.7199999999999998 108.142 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 21.3 ptp 45.69 39.16 4.77 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 114.911 -1.04 . . . . 5.3399999999999999 111.326 -174.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 153.63 -135.77 4.96 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.126 -0.943 . . . . 3.98 110.825 -176.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 71.91 -43.8 0.57 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.445 0.698 . . . . 4.6299999999999999 111.817 177.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -60.98 143.32 55.49 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.846 -0.428 . . . . 3.6499999999999999 109.846 175.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.8 t -121.45 175.37 6.22 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.822 -0.351 . . . . 2.4199999999999999 110.488 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.2 m -61.78 -28.04 43.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.133 0.492 . . . . 1.4099999999999999 110.839 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.5 t -135.47 156.8 48.31 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.512 -0.767 . . . . 1.75 109.269 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -96.5 115.47 27.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.21 0.528 . . . . 2.8700000000000001 110.585 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.6 p -112.66 148.98 33.51 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.6 -0.727 . . . . 1.72 110.795 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -123.7 117.7 51.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.327 -0.397 . . . . 1.51 110.127 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.464 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 8.1 t -103.58 116.72 32.89 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.766 -0.457 . . . . 1.6599999999999999 109.766 -178.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.3 t -119.93 138.16 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.089 -0.505 . . . . 1.03 110.51 -177.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -90.76 95.19 10.01 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.126 -0.694 . . . . 1.6100000000000001 109.126 174.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.3 t -88.1 129.37 39.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.169 -0.923 . . . . 0.95999999999999996 110.908 -173.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -114.44 -16.01 7.9 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 110.941 -0.864 . . . . 1.27 110.941 173.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -89.22 21.89 3.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.949 0.404 . . . . 3.02 110.878 -176.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.566 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 40.1 tttp -76.38 111.64 12.04 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.623 -0.88 . . . . 1.3200000000000001 108.623 176.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.471 ' O ' ' HA ' ' A' ' 37' ' ' THR . 9.1 t -97.98 -17.23 19.3 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.564 0.221 . . . . 1.8200000000000001 111.595 -173.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 p -144.52 139.72 28.41 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.763 0.316 . . . . 1.01 111.145 -178.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.464 ' HB1' ' HB ' ' A' ' 102' ' ' ILE . . . -154.0 153.73 32.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.694 -0.685 . . . . 0.79000000000000004 110.021 176.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.0 m -95.21 121.1 36.5 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.544 -0.298 . . . . 1.02 110.679 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.449 ' OD1' ' HB3' ' A' ' 100' ' ' ARG . 21.5 t70 -67.39 161.18 25.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.926 -0.579 . . . . 1.8500000000000001 109.67 175.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.0 tt -59.8 -25.44 32.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.306 -0.406 . . . . 1.3300000000000001 111.6 -176.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -82.52 -2.43 53.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.933 0.397 . . . . 2.2200000000000002 110.835 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.84 25.23 25.52 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.966 -0.635 . . . . 1.25 112.188 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -99.31 119.04 37.28 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.496 -0.187 . . . . 2.1400000000000001 110.496 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -78.82 113.44 16.91 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.588 -0.893 . . . . 2.1899999999999999 108.588 176.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.7 m -122.48 157.12 27.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-O 121.281 0.562 . . . . 1.02 111.462 -172.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.499 ' HB ' HG23 ' A' ' 92' ' ' THR . 31.7 m -86.25 119.09 26.15 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 115.215 -0.902 . . . . 1.04 109.797 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.566 ' HB ' ' O ' ' A' ' 25' ' ' LYS . 41.7 t -89.6 138.99 18.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.696 -0.684 . . . . 1.1000000000000001 110.625 -176.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 42.5 mt -100.28 137.41 38.74 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.956 -0.565 . . . . 1.9099999999999999 109.48 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.11 -28.82 67.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.495 0.664 . . . . 2.1800000000000002 110.19 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -129.51 140.09 51.35 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.994 -1.003 . . . . 3.5899999999999999 109.136 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.429 HG12 ' HB3' ' A' ' 90' ' ' LEU . 33.6 m -89.49 115.48 29.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.578 0.704 . . . . 2.3999999999999999 110.48 -177.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -102.95 99.35 9.24 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.303 -0.862 . . . . 3.25 109.434 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.6 mt -82.64 -81.09 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.862 -0.422 . . . . 2.77 109.862 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -124.81 -68.09 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.48 -0.563 . . . . 3.8399999999999999 109.48 173.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -130.35 33.58 4.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.871 -0.604 . . . . 4.7599999999999998 109.965 178.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.8 m -139.89 124.1 17.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.841 -0.618 . . . . 3.3300000000000001 109.856 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 40.8 t -118.39 118.41 57.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.337 -0.392 . . . . 2.3700000000000001 110.666 -179.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -120.81 136.12 54.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.429 -0.35 . . . . 4.1299999999999999 110.645 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -80.51 105.73 11.98 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.932 -0.766 . . . . 4.8399999999999999 108.932 175.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.572 ' HB2' ' CD ' ' B' ' 88' ' ' LYS . 28.9 pt20 -82.68 -55.25 4.55 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.375 0.509 . . . . 4.5599999999999996 112.375 -170.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 64.01 161.12 0.11 Allowed 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.452 0.644 . . . . 2.46 111.819 -176.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -134.56 131.54 38.04 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.96 -0.564 . . . . 1.1599999999999999 110.686 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -84.43 94.94 8.63 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.468 0.652 . . . . 3.5600000000000001 110.023 177.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.524 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 19.5 mt-10 -101.17 112.45 24.94 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.929 -0.578 . . . . 1.49 110.054 -179.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 19' ' ' SER . 19.8 m -99.88 104.86 16.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.166 -0.925 . . . . 1.0700000000000001 110.133 -179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -103.39 165.04 11.27 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.857 -0.611 . . . . 2.48 110.376 -175.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 70.6 m -87.79 119.26 27.95 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.94 -0.573 . . . . 1.73 110.232 177.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -69.38 -31.04 69.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.517 0.675 . . . . 3.48 109.654 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -144.41 135.7 25.44 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.978 -1.01 . . . . 2.5800000000000001 109.104 176.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.9 p -78.9 -21.75 46.95 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.273 0.559 . . . . 2.7599999999999998 110.007 177.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -146.86 95.77 4.44 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 114.984 -1.007 . . . . 2.5899999999999999 109.042 176.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.72 -33.55 88.0 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.47 2.113 . . . . 2.5699999999999998 111.843 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.2 m -122.21 154.4 26.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.075 -0.511 . . . . 2.5299999999999998 109.733 174.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -77.67 67.45 3.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.026 0.441 . . . . 4.1900000000000004 110.825 -176.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.413 ' HB2' ' CB ' ' A' ' 73' ' ' SER . 81.5 p -179.5 -33.29 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.246 -0.888 . . . . 3.8999999999999999 109.932 -179.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 169.05 -112.11 0.46 Allowed Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.811 -0.631 . . . . 2.6000000000000001 111.68 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 95.7 m -117.29 161.01 20.19 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.976 -0.379 . . . . 1.73 109.976 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 69' ' ' ARG . 31.7 mtm180 -68.97 132.2 46.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.428 -0.351 . . . . 3.9399999999999999 110.902 -176.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.55 -28.68 8.03 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.043 -0.599 . . . . 1.6100000000000001 112.671 178.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.3 mm -69.89 134.64 29.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.835 0.35 . . . . 1.6499999999999999 111.405 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -68.74 95.09 0.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.148 -0.686 . . . . 3.3199999999999998 109.148 172.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.611 ' HA ' ' O ' ' A' ' 76' ' ' TRP . 15.8 m -78.24 9.18 4.01 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.12 -0.491 . . . . 4.6299999999999999 111.599 -172.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -90.87 -39.77 12.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.18 0.514 . . . . 3.0600000000000001 109.983 176.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -100.56 -27.86 13.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.749 -0.66 . . . . 3.5099999999999998 110.389 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.611 ' O ' ' HA ' ' A' ' 73' ' ' SER . 99.6 m95 -117.63 122.85 44.68 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.226 0.536 . . . . 3.1699999999999999 111.227 -178.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -93.04 135.07 34.55 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.153 -1.054 . . . . 2.6899999999999999 108.153 170.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.471 ' HA ' ' O ' ' A' ' 111' ' ' VAL . 1.4 m -132.38 149.36 52.37 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.709 -0.396 . . . . 1.9299999999999999 111.339 -172.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.9 p90 -158.25 152.33 24.05 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.821 -0.627 . . . . 3.73 109.66 170.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.606 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 38.2 m -88.34 115.02 25.54 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.6 -0.727 . . . . 1.6699999999999999 110.859 -176.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.6 m -103.77 127.69 51.22 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.638 -0.71 . . . . 2.2400000000000002 109.81 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.7 m -85.15 115.72 23.1 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 110.009 -0.367 . . . . 2.7799999999999998 110.009 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.6 p -81.96 134.01 35.35 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 120.978 0.418 . . . . 2.6899999999999999 110.972 -175.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -104.17 136.7 43.3 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.981 -0.554 . . . . 3.71 110.333 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.633 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 11.7 t -132.48 163.18 29.38 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.421 -0.585 . . . . 1.48 109.421 177.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.453 ' HB3' ' HB3' ' A' ' 101' ' ' PHE . 91.6 m-85 -107.34 116.87 32.7 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.918 0.39 . . . . 1.75 110.07 -176.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' A' ' 101' ' ' PHE . 22.1 m -109.41 139.04 33.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.342 0.591 . . . . 1.0800000000000001 111.764 -175.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.561 ' CD ' ' HB2' ' B' ' 51' ' ' GLN . 10.0 pttp -67.13 103.47 1.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.706 -1.133 . . . . 3.8199999999999998 111.359 177.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.87 151.83 50.01 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.354 -0.839 . . . . 1.1299999999999999 110.7 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.429 ' HB3' HG12 ' A' ' 42' ' ' VAL . 23.1 tp -81.8 109.91 16.62 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.831 -0.803 . . . . 1.45 108.831 172.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 47.6 p -128.51 155.39 44.93 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.092 -0.504 . . . . 1.1399999999999999 110.381 -175.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.499 HG23 ' HB ' ' A' ' 37' ' ' THR . 9.7 t -117.65 123.43 46.1 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.25 0.548 . . . . 1.3200000000000001 110.152 178.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -74.59 -19.09 60.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.956 -0.566 . . . . 2.4700000000000002 110.108 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -166.11 -73.0 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.769 -0.651 . . . . 3.0899999999999999 109.617 177.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -136.33 25.6 3.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.28 -0.418 . . . . 3.29 110.836 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -134.92 106.63 6.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.246 -0.434 . . . . 2.7400000000000002 110.639 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.82 119.39 18.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.153 -0.476 . . . . 1.4399999999999999 110.239 177.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -140.82 150.99 44.0 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.098 -0.501 . . . . 1.3799999999999999 110.577 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -77.23 111.05 12.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.021 -0.536 . . . . 2.3500000000000001 110.485 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.449 ' HB3' ' OD1' ' A' ' 30' ' ' ASP . 42.7 mmt-85 -125.04 178.13 5.69 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.836 -0.62 . . . . 3.48 110.069 -178.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.453 ' HB3' ' HB3' ' A' ' 86' ' ' PHE . 77.3 m-85 -117.4 108.97 16.21 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.253 -0.647 . . . . 1.98 109.253 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.464 ' HB ' ' HB1' ' A' ' 28' ' ' ALA . 32.4 pt -111.78 144.29 19.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.25 0.548 . . . . 0.85999999999999999 111.358 -171.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.633 ' HA ' ' O ' ' A' ' 85' ' ' THR . 16.1 ptt180 -74.85 119.88 19.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.299 -0.864 . . . . 3.71 111.639 -176.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 40.9 pt -122.91 160.6 25.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.167 -0.924 . . . . 0.82999999999999996 109.137 171.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.524 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 61.3 m-20 -81.46 113.32 19.44 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.103 -0.703 . . . . 1.6899999999999999 109.103 176.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.4 t -95.47 -31.28 13.43 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.742 -0.383 . . . . 2.29 111.827 -172.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -157.05 166.08 34.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.107 0.48 . . . . 1.1399999999999999 111.684 -176.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.606 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 44.3 t -124.93 106.29 9.87 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.746 -0.835 . . . . 1.5600000000000001 108.746 176.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 18.8 m -105.46 142.29 18.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.045 0.45 . . . . 1.0700000000000001 111.262 -172.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.424 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 40.9 t -89.82 114.01 25.68 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.864 -0.791 . . . . 1.45 108.864 173.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.471 ' O ' ' HA ' ' A' ' 78' ' ' SER . 32.9 m -94.6 144.81 9.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 C-N-CA 120.697 -0.401 . . . . 1.52 110.213 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.55 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . 85.4 mt -113.24 138.8 49.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.059 -0.519 . . . . 1.6699999999999999 110.333 -178.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.6 t -133.07 148.58 52.18 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.786 -0.643 . . . . 2.6200000000000001 109.389 175.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -79.74 7.81 7.87 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 121.275 -0.17 . . . . 6.7300000000000004 110.866 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt 46.9 36.35 3.91 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.261 1.024 . . . . 4.5899999999999999 111.659 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -127.02 109.93 12.42 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.515 -0.766 . . . . 4.5 109.928 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 23.3 p -83.17 151.75 25.56 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.347 -0.388 . . . . 5.7400000000000002 110.674 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.62 -0.705 . . . . 8.6699999999999999 109.785 -179.673 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.473 0.696 0 CA-C-O 120.742 0.306 . . . . 13.98 110.293 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 12.4 p -97.87 19.7 13.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.072 0.463 . . . . 12.76 110.919 -178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 1.5 p -83.19 44.23 0.93 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.23 0.538 . . . . 11.359999999999999 111.679 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -146.92 109.31 4.03 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.102 -0.499 . . . . 10.289999999999999 110.17 178.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -83.05 41.37 1.09 Allowed 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.558 2.172 . . . . 7.6299999999999999 111.982 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 8.9 t 54.67 47.01 0.37 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 115.69 -0.687 . . . . 6.6500000000000004 109.626 -177.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 54.4 t80 65.51 -69.67 0.1 Allowed 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.085 -0.961 . . . . 7.2699999999999996 110.716 -175.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 32.9 t60 -148.94 51.18 0.98 Allowed 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.168 -1.049 . . . . 7.7199999999999998 108.168 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 21.2 ptp 45.82 39.84 5.81 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 114.968 -1.015 . . . . 5.3399999999999999 111.153 -174.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 152.75 -135.64 5.0 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.163 -0.926 . . . . 3.98 110.956 -176.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 71.91 -44.0 0.58 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.447 0.699 . . . . 4.6200000000000001 111.902 177.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -60.86 143.53 54.65 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.841 -0.429 . . . . 3.6499999999999999 109.841 175.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 20.8 t -121.9 175.32 6.37 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 120.933 -0.307 . . . . 2.4199999999999999 110.362 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 31.1 m -61.84 -28.0 43.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.14 0.495 . . . . 1.4099999999999999 110.857 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 49.3 t -135.44 156.62 48.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.519 -0.764 . . . . 1.75 109.356 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -96.18 115.52 27.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.031 0.443 . . . . 2.8700000000000001 110.612 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 20.1 p -112.59 149.25 33.04 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.768 -0.651 . . . . 1.72 110.656 -178.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -123.88 117.6 51.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.242 -0.435 . . . . 1.51 110.203 177.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.47 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 8.1 t -103.38 116.65 32.82 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.849 -0.426 . . . . 1.6599999999999999 109.849 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 60.5 t -119.78 138.16 51.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.247 -0.433 . . . . 1.03 110.645 -177.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 81.4 m95 -90.93 95.14 9.97 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.591 0.71 . . . . 1.6100000000000001 109.09 174.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 48.5 t -88.21 129.48 39.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.111 -0.95 . . . . 0.95999999999999996 110.898 -173.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -114.49 -16.29 7.7 Favored Glycine 0 N--CA 1.444 -0.796 0 N-CA-C 110.917 -0.873 . . . . 1.27 110.917 173.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -88.62 21.66 2.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 3.0099999999999998 110.843 -176.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.557 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 40.2 tttp -76.14 111.51 11.63 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.747 -0.834 . . . . 1.3200000000000001 108.747 176.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.481 ' O ' ' HA ' ' B' ' 37' ' ' THR . 9.5 t -97.82 -17.57 19.25 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 111.549 0.204 . . . . 1.8200000000000001 111.549 -173.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.4 p -144.13 139.79 29.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.795 0.331 . . . . 1.0 111.17 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.484 ' HB1' ' HB ' ' B' ' 102' ' ' ILE . . . -153.85 153.51 32.23 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.846 -0.616 . . . . 0.79000000000000004 110.052 176.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 3.0 m -95.17 120.99 36.34 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.572 -0.286 . . . . 1.01 110.757 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . 0.468 ' OD1' ' HB3' ' B' ' 100' ' ' ARG . 21.4 t70 -67.3 160.89 26.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.902 -0.59 . . . . 1.8400000000000001 109.742 175.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.7 tt -59.69 -25.33 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.25 -0.432 . . . . 1.3300000000000001 111.599 -176.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -82.89 -1.47 52.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.866 0.365 . . . . 2.2200000000000002 110.923 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.31 24.56 28.63 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.827 -0.702 . . . . 1.25 112.217 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -98.98 118.73 36.43 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.892 -0.181 . . . . 2.1400000000000001 110.555 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 28.7 tp10 -78.6 113.47 16.66 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.602 -0.888 . . . . 2.1899999999999999 108.602 176.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 28.1 m -122.47 157.1 27.42 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-O 121.206 0.527 . . . . 1.01 111.432 -172.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . 0.488 ' HB ' HG23 ' B' ' 92' ' ' THR . 32.3 m -86.39 118.95 26.15 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.201 -0.908 . . . . 1.04 109.697 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.557 ' HB ' ' O ' ' B' ' 25' ' ' LYS . 41.9 t -89.58 138.72 18.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 115.72 -0.673 . . . . 1.1000000000000001 110.59 -175.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 42.5 mt -100.0 137.61 38.21 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.881 -0.599 . . . . 1.9099999999999999 109.63 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.15 -29.11 67.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.648 0.737 . . . . 2.1800000000000002 110.361 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -129.09 140.06 51.74 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.744 -1.117 . . . . 3.5899999999999999 109.204 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.418 HG12 ' HB3' ' B' ' 90' ' ' LEU . 33.7 m -89.52 115.56 29.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.654 0.74 . . . . 2.3900000000000001 110.479 -177.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -102.83 99.34 9.28 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.29 -0.868 . . . . 3.25 109.336 177.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 62.2 mt -82.69 -81.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.81 -0.441 . . . . 2.77 109.81 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -124.68 -68.6 0.84 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.303 -0.629 . . . . 3.8399999999999999 109.303 173.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -129.92 33.51 4.4 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.854 -0.612 . . . . 4.7599999999999998 109.959 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 20.1 m -139.73 124.33 18.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.843 -0.617 . . . . 3.3300000000000001 109.793 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 40.9 t -118.57 118.84 59.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.34 -0.391 . . . . 2.3799999999999999 110.544 -179.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -121.47 135.91 55.0 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.577 -0.283 . . . . 4.1299999999999999 110.546 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 66.6 mtm180 -80.26 105.72 11.73 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.994 -0.743 . . . . 4.8399999999999999 108.994 175.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.561 ' HB2' ' CD ' ' A' ' 88' ' ' LYS . 29.0 pt20 -82.57 -55.06 4.69 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.523 0.564 . . . . 4.5599999999999996 112.523 -170.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 63.81 161.27 0.1 Allowed 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.605 0.717 . . . . 2.4500000000000002 111.767 -176.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -134.79 131.52 37.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.849 -0.614 . . . . 1.1599999999999999 110.706 177.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -84.36 94.97 8.6 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.477 0.656 . . . . 3.5600000000000001 109.983 177.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . 0.523 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 19.8 mt-10 -101.07 112.62 25.13 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.927 -0.578 . . . . 1.49 110.033 -179.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.47 ' HA ' ' HA ' ' B' ' 19' ' ' SER . 19.5 m -99.93 104.99 16.66 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.254 -0.884 . . . . 1.0700000000000001 110.194 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -103.39 165.21 11.17 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.755 -0.657 . . . . 2.48 110.388 -175.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 72.9 m -87.74 119.47 28.1 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.991 -0.55 . . . . 1.73 109.987 177.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -69.61 -31.05 68.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.375 0.607 . . . . 3.4900000000000002 109.555 176.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -144.35 135.58 25.41 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.031 -0.986 . . . . 2.5800000000000001 109.226 176.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 14.1 p -78.82 -21.73 47.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.267 0.556 . . . . 2.7599999999999998 110.027 178.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -146.75 95.5 4.52 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.036 -0.984 . . . . 2.5899999999999999 109.145 176.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . 0.406 ' HG2' ' HA ' ' B' ' 68' ' ' CYS . 12.1 Cg_endo -55.66 -32.85 85.3 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.451 2.101 . . . . 2.5699999999999998 111.972 -179.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 23.7 m -122.63 154.68 27.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.024 -0.535 . . . . 2.5299999999999998 109.765 174.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -78.19 67.68 4.06 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.925 0.393 . . . . 4.2000000000000002 110.649 -176.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . 0.425 ' HB2' ' CB ' ' B' ' 73' ' ' SER . 83.0 p -179.69 -33.21 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.253 -0.885 . . . . 3.8999999999999999 110.071 -179.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 169.06 -112.22 0.46 Allowed Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.912 -0.585 . . . . 2.6000000000000001 111.677 178.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.406 ' HA ' ' HG2' ' B' ' 63' ' ' PRO . 95.3 m -117.19 160.93 20.28 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.955 -0.387 . . . . 1.74 109.955 177.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 31.5 mtm180 -68.88 131.99 46.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.527 -0.306 . . . . 3.9500000000000002 110.83 -176.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.58 -27.8 9.22 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.973 -0.632 . . . . 1.6000000000000001 112.531 178.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 47.4 mm -70.55 134.33 30.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.883 0.373 . . . . 1.6499999999999999 111.439 -177.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -68.64 95.29 0.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.127 -0.694 . . . . 3.3199999999999998 109.127 172.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.599 ' HA ' ' O ' ' B' ' 76' ' ' TRP . 15.8 m -78.24 9.34 3.88 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.126 -0.488 . . . . 4.6299999999999999 111.659 -172.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -91.2 -39.39 12.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.013 0.435 . . . . 3.0600000000000001 110.001 176.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -100.69 -27.57 13.3 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.945 -0.57 . . . . 3.5099999999999998 110.577 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' TRP . . . . . 0.599 ' O ' ' HA ' ' B' ' 73' ' ' SER . 99.7 m95 -117.94 122.71 43.97 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.222 0.534 . . . . 3.1699999999999999 111.197 -178.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' ASN . . . . . 0.409 ' HB2' ' HE2' ' B' ' 115' ' ' LYS . 27.9 t-20 -92.93 135.13 34.42 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.193 -1.039 . . . . 2.7000000000000002 108.193 170.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.467 ' HA ' ' O ' ' B' ' 111' ' ' VAL . 1.4 m -132.53 149.15 52.37 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.899 0.38 . . . . 1.9299999999999999 111.419 -172.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -158.11 152.4 24.41 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.841 -0.618 . . . . 3.73 109.62 170.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.615 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 38.0 m -88.32 115.21 25.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.589 -0.732 . . . . 1.6699999999999999 110.857 -176.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 12.4 m -103.92 127.66 51.44 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.788 -0.642 . . . . 2.25 109.753 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.7 m -85.24 115.65 23.13 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 110.026 -0.361 . . . . 2.7799999999999998 110.026 177.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 19.7 p -81.89 134.1 35.37 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 120.971 0.415 . . . . 2.6899999999999999 111.088 -175.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -104.11 136.96 42.76 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.031 -0.531 . . . . 3.71 110.27 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.618 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 11.4 t -132.69 162.97 30.01 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.37 -0.604 . . . . 1.48 109.37 177.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.443 ' HB3' ' HB3' ' B' ' 101' ' ' PHE . 91.4 m-85 -107.11 116.98 32.88 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.893 0.377 . . . . 1.75 110.191 -176.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 21.4 m -109.56 139.04 34.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.452 0.644 . . . . 1.0800000000000001 111.723 -175.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . 0.572 ' CD ' ' HB2' ' A' ' 51' ' ' GLN . 9.9 pttp -67.14 103.44 1.21 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.704 -1.134 . . . . 3.8199999999999998 111.331 177.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.83 151.84 49.97 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.404 -0.816 . . . . 1.1299999999999999 110.759 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.418 ' HB3' HG12 ' B' ' 42' ' ' VAL . 23.1 tp -81.72 109.98 16.63 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.87 -0.789 . . . . 1.45 108.87 173.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 47.5 p -128.66 155.35 45.15 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.195 -0.457 . . . . 1.1499999999999999 110.537 -175.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.488 HG23 ' HB ' ' B' ' 37' ' ' THR . 9.8 t -117.61 123.38 46.02 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.227 0.537 . . . . 1.3200000000000001 110.087 178.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -74.4 -19.51 60.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.015 -0.538 . . . . 2.46 110.184 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -165.75 -73.31 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.607 -0.724 . . . . 3.0899999999999999 109.702 177.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -136.0 25.4 3.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.771 0.32 . . . . 3.2999999999999998 110.972 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -134.77 106.46 6.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.306 -0.406 . . . . 2.7400000000000002 110.752 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.46 119.77 19.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.076 -0.511 . . . . 1.4399999999999999 110.214 177.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -141.04 150.91 43.58 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.211 -0.45 . . . . 1.3899999999999999 110.62 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -77.27 111.3 12.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.987 -0.551 . . . . 2.3500000000000001 110.464 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' ARG . . . . . 0.468 ' HB3' ' OD1' ' B' ' 30' ' ' ASP . 42.5 mmt-85 -125.25 178.17 5.73 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.757 -0.656 . . . . 3.48 110.167 -178.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.443 ' HB3' ' HB3' ' B' ' 86' ' ' PHE . 78.0 m-85 -117.52 108.94 16.11 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.181 -0.674 . . . . 1.98 109.181 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . 0.484 ' HB ' ' HB1' ' B' ' 28' ' ' ALA . 32.9 pt -111.66 144.28 19.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.138 0.494 . . . . 0.85999999999999999 111.339 -171.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.618 ' HA ' ' O ' ' B' ' 85' ' ' THR . 16.1 ptt180 -74.91 119.83 19.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.422 -0.808 . . . . 3.7200000000000002 111.673 -176.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 41.3 pt -122.9 160.32 25.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.261 -0.882 . . . . 0.82999999999999996 109.13 171.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . 0.523 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 61.1 m-20 -81.14 113.3 19.21 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.159 -0.682 . . . . 1.6899999999999999 109.159 176.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 6.4 t -95.44 -31.39 13.4 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.861 -0.336 . . . . 2.29 111.777 -172.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -157.01 166.2 34.02 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.165 0.507 . . . . 1.1499999999999999 111.644 -176.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . 0.615 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 44.2 t -124.98 106.28 9.84 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.728 -0.841 . . . . 1.5600000000000001 108.728 176.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 18.9 m -105.47 142.37 18.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.04 0.448 . . . . 1.0800000000000001 111.192 -172.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.429 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 40.6 t -89.94 113.93 25.66 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.879 -0.786 . . . . 1.45 108.879 173.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' B' ' 78' ' ' SER . 32.8 m -94.51 144.8 9.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 C-N-CA 120.711 -0.396 . . . . 1.52 110.179 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.559 ' HB3' ' CE3' ' B' ' 76' ' ' TRP . 85.4 mt -113.28 138.73 49.58 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.006 -0.543 . . . . 1.6699999999999999 110.396 -178.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 42.1 t -133.07 148.37 52.19 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.166 -0.679 . . . . 2.6200000000000001 109.166 175.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -79.67 7.73 7.89 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 121.202 -0.199 . . . . 6.7199999999999998 110.872 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . 0.409 ' HE2' ' HB2' ' B' ' 77' ' ' ASN . 19.6 ptpt 47.01 36.27 3.99 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.173 0.989 . . . . 4.5899999999999999 111.731 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -126.92 110.08 12.63 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.366 -0.834 . . . . 4.5 109.887 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 24.5 p -83.06 152.1 25.51 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.316 -0.402 . . . . 5.7400000000000002 110.549 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 . . . . . 0 C--O 1.245 0.834 0 CA-C-O 118.617 -0.706 . . . . 8.6799999999999997 109.603 -179.839 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.3 p . . . . . 0 N--CA 1.476 0.86 0 CA-C-O 120.948 0.404 . . . . 13.98 110.778 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 p -138.02 -72.83 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.712 0.292 . . . . 12.75 111.283 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -92.3 135.55 33.92 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.198 0.523 . . . . 11.35 112.041 -177.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 38.5 p-80 -158.63 95.56 1.83 Allowed Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.397 -0.82 . . . . 10.279999999999999 109.416 176.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -64.62 94.4 0.21 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.714 2.276 . . . . 7.6299999999999999 112.132 -174.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.4 t 53.35 50.88 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-O 121.557 0.694 . . . . 6.6500000000000004 109.234 -177.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.556 ' HB3' ' OE2' ' A' ' 11' ' ' GLU . 66.0 m-85 68.31 -70.66 0.12 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 114.641 -1.163 . . . . 7.2699999999999996 110.506 -173.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -154.67 56.83 0.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.691 -0.855 . . . . 7.7199999999999998 108.691 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 84.0 mtp 74.04 -48.95 0.67 Allowed 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.135 0.974 . . . . 5.3399999999999999 111.39 -177.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -177.32 80.32 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.772 -0.728 . . . . 3.98 112.11 177.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.556 ' OE2' ' HB3' ' A' ' 7' ' ' PHE . 47.8 mt-10 -82.04 56.41 3.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.98 0.419 . . . . 4.6299999999999999 110.537 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.492 ' HB2' ' O ' ' B' ' 112' ' ' LEU . 89.5 m-85 -87.48 93.76 9.51 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.636 -0.505 . . . . 3.6499999999999999 109.636 176.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.6 t -58.22 128.87 39.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.733 -0.667 . . . . 2.4199999999999999 110.507 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.417 HG12 ' HG ' ' B' ' 112' ' ' LEU . 17.3 m -58.96 -32.74 48.17 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 CA-C-N 115.52 -0.764 . . . . 1.4099999999999999 111.132 178.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.1 t -112.07 139.17 47.81 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.184 -0.462 . . . . 1.75 110.704 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -88.22 117.4 27.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.178 0.513 . . . . 2.8700000000000001 109.677 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.8 p -130.81 164.05 26.03 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.019 -0.537 . . . . 1.72 110.859 -176.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 56' ' ' THR . 2.5 p -108.79 114.63 47.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.958 -0.565 . . . . 1.51 109.595 176.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.41 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 21.6 t -112.33 105.51 13.81 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.923 -0.581 . . . . 1.6599999999999999 109.915 -176.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.4 t -128.15 141.8 45.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.965 -0.561 . . . . 1.03 110.85 -175.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.444 ' HA ' ' O ' ' A' ' 53' ' ' PHE . 83.7 m95 -85.64 95.55 9.39 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.589 -0.893 . . . . 1.6100000000000001 108.589 171.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 81.7 t -90.76 118.04 35.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.272 -0.877 . . . . 0.95999999999999996 111.222 -172.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.02 15.39 40.07 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.859 -0.686 . . . . 1.27 111.433 177.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -122.36 20.25 10.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.728 0.299 . . . . 3.02 110.931 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.449 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 84.1 tttt -78.25 101.68 7.25 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.254 -0.647 . . . . 1.3200000000000001 109.254 177.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -93.13 -12.39 30.53 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.16 -0.473 . . . . 1.8200000000000001 112.199 -171.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.6 p -134.84 132.64 38.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.098 0.475 . . . . 1.01 111.285 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.51 155.97 42.39 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.115 -0.493 . . . . 0.79000000000000004 110.541 177.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.5 m -98.02 123.79 42.2 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.293 -0.412 . . . . 1.02 111.428 -177.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.456 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 13.0 t70 -65.76 158.63 27.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.637 -0.71 . . . . 1.8500000000000001 109.234 174.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.403 ' HA ' ' CE2' ' A' ' 86' ' ' PHE . 16.5 tt -59.05 -18.86 14.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.985 -0.552 . . . . 1.3300000000000001 111.932 -176.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -87.17 -11.19 50.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.81 0.338 . . . . 2.2200000000000002 111.142 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.54 18.7 15.52 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.682 -0.77 . . . . 1.25 112.827 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -99.41 122.18 42.17 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.79 -0.241 . . . . 2.1400000000000001 110.64 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -83.79 115.22 22.12 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.08 0.467 . . . . 2.1899999999999999 109.821 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.5 m -118.09 161.42 17.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.799 -0.637 . . . . 1.02 111.166 -174.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.476 ' HB ' HG23 ' A' ' 92' ' ' THR . 17.8 m -87.22 116.95 25.65 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.274 -0.875 . . . . 1.04 110.074 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.508 ' HA ' HG22 ' A' ' 91' ' ' THR . 43.3 t -85.68 136.53 22.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.992 -0.549 . . . . 1.1000000000000001 110.953 -175.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.4 mt -92.21 127.48 37.7 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.906 -0.775 . . . . 1.9099999999999999 108.906 174.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.46 -9.32 58.47 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.138 0.422 . . . . 2.1800000000000002 112.138 -171.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -140.0 113.1 8.25 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.567 0.698 . . . . 3.5899999999999999 112.261 -177.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 p -155.34 96.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.127 -0.942 . . . . 2.3999999999999999 109.42 169.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.492 ' H ' HG13 ' A' ' 48' ' ' VAL . 65.4 m-80 -144.03 116.43 8.55 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.791 -0.641 . . . . 3.25 110.931 -178.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 74.1 mt 70.42 132.78 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-O 121.551 0.691 . . . . 2.77 112.166 172.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.33 62.74 7.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.355 0.597 . . . . 3.8399999999999999 109.872 176.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -167.33 -54.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.437 -0.801 . . . . 4.7599999999999998 109.817 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.9 t -136.91 113.82 10.47 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.105 -0.702 . . . . 3.3300000000000001 109.105 174.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.492 HG13 ' H ' ' A' ' 43' ' ' ASN . 82.0 t -99.66 116.73 43.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.159 -0.473 . . . . 2.3700000000000001 111.632 -172.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -111.52 174.85 5.67 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.845 -0.616 . . . . 4.1299999999999999 109.94 173.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -84.74 160.65 20.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.036 0.446 . . . . 4.8399999999999999 111.196 -176.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.42 ' HB3' HD21 ' A' ' 43' ' ' ASN . 13.6 pt20 -128.21 165.3 20.72 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.862 -0.608 . . . . 4.5599999999999996 110.545 -178.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -124.79 151.22 45.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.107 -0.497 . . . . 2.46 109.996 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.444 ' O ' ' HA ' ' A' ' 21' ' ' TRP . 85.0 m-85 -107.15 143.6 35.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.217 -0.447 . . . . 1.1599999999999999 110.033 176.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -84.14 94.72 8.42 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.711 -0.478 . . . . 3.5600000000000001 109.711 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.475 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 2.9 mm-40 -106.45 106.45 16.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.009 -0.541 . . . . 1.49 110.688 -176.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 29.4 m -111.73 99.08 7.86 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.796 -0.638 . . . . 1.0700000000000001 109.717 177.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.4 ' HB2' ' HE3' ' A' ' 57' ' ' LYS . 38.0 ttmt -105.02 139.43 39.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.099 -0.5 . . . . 2.48 111.113 -173.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 66.0 m -74.75 110.83 9.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.611 -0.722 . . . . 1.73 110.624 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -102.52 6.07 39.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.988 -0.551 . . . . 3.48 110.751 -177.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -145.85 144.31 30.16 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.555 -0.748 . . . . 2.5800000000000001 109.313 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.9 m -158.49 39.08 0.24 Allowed 'General case' 0 C--O 1.234 0.283 0 N-CA-C 111.858 0.318 . . . . 2.7599999999999998 111.858 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.532 ' OD1' ' HB2' ' A' ' 66' ' ' SER . 3.1 p-10 -112.08 124.24 32.64 Favored Pre-proline 0 C--N 1.326 -0.453 0 C-N-CA 120.573 -0.451 . . . . 2.5899999999999999 110.146 176.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.466 ' HA ' ' OG ' ' A' ' 78' ' ' SER . 37.2 Cg_exo -21.99 -64.16 0.04 OUTLIER 'Trans proline' 0 C--N 1.352 0.713 1 C-N-CA 126.173 4.582 . . . . 2.5699999999999998 116.706 -164.462 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.521 HG23 ' H ' ' A' ' 65' ' ' GLU . 0.5 OUTLIER -95.91 -92.75 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 113.603 0.964 . . . . 2.5299999999999998 113.603 -168.879 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.521 ' H ' HG23 ' A' ' 64' ' ' VAL . 10.5 pt-20 -49.74 -38.45 33.63 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 113.429 0.9 . . . . 4.1900000000000004 113.429 -169.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.532 ' HB2' ' OD1' ' A' ' 62' ' ' ASN . 14.8 m -128.58 48.46 2.31 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.515 0.674 . . . . 3.8999999999999999 109.847 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -138.25 -84.77 0.13 Allowed Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.195 -0.911 . . . . 2.6000000000000001 111.029 177.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.481 ' SG ' ' HB2' ' A' ' 78' ' ' SER . 84.9 m -134.74 -25.4 1.44 Allowed 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.893 -0.323 . . . . 1.73 111.202 176.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 67.81 151.19 0.07 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.014 0.526 . . . . 3.9399999999999999 111.323 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 77.24 -38.78 1.61 Allowed Glycine 0 CA--C 1.52 0.395 0 C-N-CA 121.018 -0.611 . . . . 1.6100000000000001 112.834 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.4 mm -55.62 134.53 19.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 123.036 0.534 . . . . 1.6499999999999999 111.324 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -76.19 114.86 15.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.985 -0.552 . . . . 3.3199999999999998 110.155 177.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.3 p -79.67 -6.77 57.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.948 0.404 . . . . 4.6299999999999999 111.66 -175.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -79.48 -47.62 15.32 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.58 -0.282 . . . . 3.0600000000000001 110.374 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -96.73 -28.27 14.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.175 -0.466 . . . . 3.5099999999999998 111.228 -178.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -121.54 157.43 30.72 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.437 0.637 . . . . 3.1699999999999999 111.215 -176.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -124.9 133.16 53.17 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.319 -0.993 . . . . 2.6899999999999999 108.319 169.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.481 ' HB2' ' SG ' ' A' ' 68' ' ' CYS . 2.1 p -104.17 133.86 48.39 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.103 0.478 . . . . 1.9299999999999999 110.861 -177.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.464 ' O ' HG22 ' A' ' 111' ' ' VAL . 72.0 t80 -140.58 140.38 35.13 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.777 -0.647 . . . . 3.73 110.021 -178.14 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.502 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 66.8 m -95.14 119.06 32.99 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.266 -0.425 . . . . 1.6699999999999999 110.207 179.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.1 m -110.37 131.89 54.66 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.36 -0.382 . . . . 2.2400000000000002 110.611 -178.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.5 103.25 13.48 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 121.09 0.471 . . . . 2.7799999999999998 111.22 177.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.0 m -76.35 130.52 38.2 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 109.229 -0.656 . . . . 2.6899999999999999 109.229 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.503 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 64.5 m-70 -105.03 134.09 48.71 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.468 -0.333 . . . . 3.71 110.399 -176.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.649 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 3.0 t -108.8 162.79 13.85 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.899 -0.778 . . . . 1.48 108.899 175.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' A' ' 103' ' ' ARG . 97.3 m-85 -109.27 116.07 31.2 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.051 0.453 . . . . 1.75 110.598 -176.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.2 m -110.8 138.42 39.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.636 -0.711 . . . . 1.0800000000000001 109.976 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.5 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 13.8 pttp -88.8 107.73 19.13 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.553 0.692 . . . . 3.8199999999999998 110.575 -179.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.61 153.93 46.75 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.326 -0.852 . . . . 1.1299999999999999 110.333 -177.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.4 ' HG ' ' HB1' ' A' ' 97' ' ' ALA . 19.4 tp -75.14 104.92 5.9 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.45 -0.574 . . . . 1.45 109.45 177.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.508 HG22 ' HA ' ' A' ' 38' ' ' VAL . 52.3 p -123.05 157.79 32.0 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.288 -0.415 . . . . 1.1399999999999999 110.056 -178.14 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.476 HG23 ' HB ' ' A' ' 37' ' ' THR . 8.8 t -112.63 125.84 54.72 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.334 0.588 . . . . 1.3200000000000001 110.375 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -68.06 -33.84 75.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.455 -0.793 . . . . 2.4700000000000002 109.895 178.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -169.52 -40.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.676 -0.693 . . . . 3.0899999999999999 110.355 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -131.85 -67.37 0.68 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.481 . . . . 3.29 110.644 -178.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -73.45 139.49 45.84 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.981 -0.554 . . . . 2.7400000000000002 111.039 -177.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.4 ' HB1' ' HG ' ' A' ' 90' ' ' LEU . . . -95.98 131.06 42.75 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.727 -0.669 . . . . 1.4399999999999999 110.087 178.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.94 150.66 40.04 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.401 -0.363 . . . . 1.3799999999999999 110.432 -178.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -69.7 109.7 4.5 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.106 -0.497 . . . . 2.3500000000000001 110.292 177.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.5 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 34.2 mmt180 -113.82 153.06 29.77 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.092 -0.504 . . . . 3.48 109.871 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.456 ' O ' ' HA ' ' A' ' 30' ' ' ASP . 86.3 m-85 -92.37 103.58 16.01 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.927 -0.768 . . . . 1.98 108.927 174.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 30.6 pt -112.17 143.33 22.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.168 0.508 . . . . 0.85999999999999999 110.756 -172.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.649 ' HA ' ' O ' ' A' ' 85' ' ' THR . 38.1 ptt180 -85.51 133.55 34.08 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.681 -0.69 . . . . 3.71 111.382 -175.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.503 ' O ' ' HA ' ' A' ' 84' ' ' HIS . 40.8 pt -122.61 152.84 27.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 CA-C-N 115.482 -0.781 . . . . 0.82999999999999996 109.991 175.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.475 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 4.7 m-20 -72.51 100.75 2.8 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 108.628 -0.879 . . . . 1.6899999999999999 108.628 178.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.23 -46.77 5.71 Favored 'General case' 0 C--N 1.315 -0.933 0 C-N-CA 120.605 -0.438 . . . . 2.29 112.069 -168.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -132.81 141.72 48.62 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.895 0.379 . . . . 1.1399999999999999 111.239 -174.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.502 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 45.9 t -107.37 98.76 8.35 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.467 -0.938 . . . . 1.5600000000000001 108.467 174.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 32.4 m -99.12 143.67 13.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.117 -0.492 . . . . 1.0700000000000001 111.559 -171.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 35.1 t -86.7 113.25 22.4 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.777 -0.647 . . . . 1.45 109.423 174.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 79' ' ' TYR . 23.6 m -108.35 145.63 15.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.168 -0.469 . . . . 1.52 109.866 178.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.436 ' O ' ' HB2' ' B' ' 12' ' ' PHE . 67.7 mt -106.66 138.18 43.31 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.216 0.532 . . . . 1.6699999999999999 110.705 178.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.3 t -114.95 138.78 50.43 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 108.721 -0.844 . . . . 2.6200000000000001 108.721 173.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 -78.95 7.52 7.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.187 0.518 . . . . 6.7300000000000004 109.974 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt 66.27 40.37 3.78 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.235 -0.893 . . . . 4.5899999999999999 110.178 178.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -126.54 -56.59 1.39 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.416 -0.811 . . . . 4.5 110.754 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 23.2 p -78.22 150.11 33.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.313 -0.403 . . . . 5.7400000000000002 111.03 -179.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.517 ' C ' ' HE ' ' A' ' 118' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.79 0 N-CA-C 109.788 -0.449 . . . . 8.6699999999999999 109.788 -178.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 6.1 p . . . . . 0 N--CA 1.475 0.794 0 CA-C-O 120.787 0.327 . . . . 13.98 110.475 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 17.0 p -138.04 -73.36 0.41 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.764 0.316 . . . . 12.76 111.158 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 1.1 p -91.95 135.04 34.26 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.324 0.583 . . . . 11.359999999999999 112.092 -177.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 37.7 p-80 -158.14 95.92 1.92 Allowed Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.391 -0.822 . . . . 10.289999999999999 109.365 176.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.92 94.37 0.23 Allowed 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.672 2.248 . . . . 7.6299999999999999 112.161 -174.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 12.1 t 53.36 51.13 0.38 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.278 0 N-CA-C 109.122 -0.696 . . . . 6.6500000000000004 109.122 -177.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.54 ' HB3' ' OE2' ' B' ' 11' ' ' GLU . 66.8 m-85 67.89 -70.74 0.12 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.657 -1.156 . . . . 7.2699999999999996 110.575 -172.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -154.52 57.05 0.69 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.688 -0.856 . . . . 7.7199999999999998 108.688 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 84.4 mtp 73.79 -48.79 0.67 Allowed 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.078 -0.965 . . . . 5.3399999999999999 111.274 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -177.42 80.26 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.722 -0.751 . . . . 3.98 112.201 177.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.54 ' OE2' ' HB3' ' B' ' 7' ' ' PHE . 47.5 mt-10 -81.89 56.36 3.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.078 0.465 . . . . 4.6200000000000001 110.761 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . 0.436 ' HB2' ' O ' ' A' ' 112' ' ' LEU . 89.6 m-85 -87.45 93.84 9.53 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.606 -0.516 . . . . 3.6499999999999999 109.606 176.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 48.4 t -58.29 128.97 39.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.725 -0.671 . . . . 2.4199999999999999 110.346 -179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.4 m -58.9 -32.96 48.4 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.172 0 CA-C-N 115.707 -0.679 . . . . 1.4099999999999999 111.193 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 50.7 t -111.9 138.99 47.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.219 -0.446 . . . . 1.75 110.639 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -87.84 117.36 26.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.081 -0.509 . . . . 2.8700000000000001 109.696 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.4 p -130.82 164.19 25.73 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 116.055 -0.521 . . . . 1.72 110.642 -176.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' B' ' 56' ' ' THR . 2.5 p -108.86 114.65 47.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.558 -0.534 . . . . 1.51 109.558 176.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.411 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 20.9 t -112.27 105.93 14.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.931 -0.577 . . . . 1.6599999999999999 109.871 -176.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 91.4 t -128.45 141.39 46.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.806 -0.634 . . . . 1.03 110.964 -175.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . 0.441 ' HA ' ' O ' ' B' ' 53' ' ' PHE . 84.4 m95 -85.1 95.41 9.11 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.769 -0.826 . . . . 1.6100000000000001 108.769 170.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 82.5 t -90.77 117.89 34.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.237 -0.892 . . . . 0.95999999999999996 111.224 -172.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.04 15.04 40.34 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.781 -0.723 . . . . 1.27 111.463 177.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -122.1 20.79 10.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.718 0.295 . . . . 3.0099999999999998 110.872 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.448 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 84.2 tttt -78.55 102.34 7.87 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.181 -0.674 . . . . 1.3200000000000001 109.181 177.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 9.9 t -94.05 -12.43 28.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.227 -0.442 . . . . 1.8200000000000001 112.123 -171.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 6.6 p -134.6 132.57 39.19 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.87 0.367 . . . . 1.0 111.344 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.4 ' HB1' ' HB ' ' B' ' 102' ' ' ILE . . . -147.49 156.11 42.54 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.126 -0.488 . . . . 0.79000000000000004 110.539 177.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 23.4 m -98.21 123.88 42.5 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.377 -0.374 . . . . 1.01 111.376 -177.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . 0.451 ' HA ' ' O ' ' B' ' 101' ' ' PHE . 11.9 t70 -65.66 158.82 26.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.637 -0.711 . . . . 1.8400000000000001 109.155 174.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 16.4 tt -59.47 -18.29 14.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.855 -0.612 . . . . 1.3300000000000001 111.91 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 39.3 mttp -87.77 -10.67 50.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.816 0.341 . . . . 2.2200000000000002 111.18 179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.06 18.46 17.37 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.642 -0.789 . . . . 1.25 112.728 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -99.13 122.34 42.22 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.865 -0.197 . . . . 2.1400000000000001 110.642 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -83.86 115.3 22.19 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.08 0.467 . . . . 2.1899999999999999 109.79 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 m -118.2 161.59 16.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.649 -0.705 . . . . 1.01 111.274 -174.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . 0.464 ' HB ' HG23 ' B' ' 92' ' ' THR . 18.6 m -87.69 116.56 25.92 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.365 -0.834 . . . . 1.04 110.023 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.515 ' HA ' HG22 ' B' ' 91' ' ' THR . 42.7 t -85.43 136.32 23.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.877 -0.601 . . . . 1.1000000000000001 111.086 -175.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 68.1 mt -92.03 127.39 37.48 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.895 -0.78 . . . . 1.9099999999999999 108.895 175.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.25 -9.24 58.38 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.176 0.435 . . . . 2.1800000000000002 112.176 -171.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -140.01 113.09 8.24 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-O 121.654 0.74 . . . . 3.5899999999999999 112.236 -177.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 p -155.4 96.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.161 -0.927 . . . . 2.3900000000000001 109.308 169.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.51 ' H ' HG13 ' B' ' 48' ' ' VAL . 65.3 m-80 -144.13 116.14 8.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.876 -0.602 . . . . 3.25 110.948 -178.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 74.0 mt 70.47 132.81 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 121.589 0.709 . . . . 2.77 112.214 172.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.96 62.21 7.31 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.168 0.508 . . . . 3.8399999999999999 110.0 176.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -166.72 -55.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.596 -0.729 . . . . 4.7599999999999998 109.645 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 23.0 t -136.5 113.88 10.83 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.111 -0.7 . . . . 3.3300000000000001 109.111 174.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.51 HG13 ' H ' ' B' ' 43' ' ' ASN . 84.5 t -99.65 116.81 43.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.201 -0.454 . . . . 2.3799999999999999 111.706 -172.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -111.66 174.86 5.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.912 -0.585 . . . . 4.1299999999999999 109.786 173.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 34.6 ptt180 -84.88 160.47 20.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.023 0.44 . . . . 4.8399999999999999 111.262 -176.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.424 ' HB3' HD21 ' B' ' 43' ' ' ASN . 13.6 pt20 -128.03 165.0 21.15 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.757 -0.656 . . . . 4.5599999999999996 110.605 -178.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -124.57 151.08 45.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.167 -0.47 . . . . 2.4500000000000002 110.196 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . 0.441 ' O ' ' HA ' ' B' ' 21' ' ' TRP . 84.9 m-85 -107.04 143.76 34.68 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.122 -0.49 . . . . 1.1599999999999999 110.016 176.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -84.38 94.9 8.59 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.692 -0.485 . . . . 3.5600000000000001 109.692 -178.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . 0.458 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 2.9 mm-40 -106.75 106.34 16.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 1.49 110.571 -176.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.444 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 30.0 m -111.82 98.95 7.75 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.873 -0.603 . . . . 1.0700000000000001 109.694 177.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -104.91 139.12 40.11 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.144 0.497 . . . . 2.48 111.226 -172.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 66.0 m -74.34 111.1 9.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.689 -0.687 . . . . 1.73 110.603 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -103.02 6.16 38.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.969 -0.559 . . . . 3.4900000000000002 110.503 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -145.88 144.35 30.15 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.809 -0.632 . . . . 2.5800000000000001 109.454 178.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 70.1 m -158.32 38.48 0.25 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.947 0.351 . . . . 2.7599999999999998 111.947 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . 0.543 ' OD1' ' HB2' ' B' ' 66' ' ' SER . 3.1 p-10 -111.85 124.26 32.74 Favored Pre-proline 0 C--N 1.326 -0.419 0 C-N-CA 120.351 -0.54 . . . . 2.5899999999999999 110.192 176.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . 0.462 ' HA ' ' OG ' ' B' ' 78' ' ' SER . 36.4 Cg_exo -21.85 -64.47 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.692 1 C-N-CA 126.137 4.558 . . . . 2.5699999999999998 116.706 -164.479 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' VAL . . . . . 0.529 HG23 ' H ' ' B' ' 65' ' ' GLU . 0.4 OUTLIER -95.46 -92.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 113.641 0.978 . . . . 2.5299999999999998 113.641 -169.013 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . 0.529 ' H ' HG23 ' B' ' 64' ' ' VAL . 10.6 pt-20 -49.49 -38.85 31.69 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.292 0.849 . . . . 4.2000000000000002 113.292 -169.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . 0.543 ' HB2' ' OD1' ' B' ' 62' ' ' ASN . 14.2 m -128.46 48.15 2.35 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.563 0.696 . . . . 3.8999999999999999 109.757 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -137.94 -85.02 0.14 Allowed Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.102 -0.954 . . . . 2.6000000000000001 110.963 177.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.475 ' SG ' ' HB2' ' B' ' 78' ' ' SER . 84.0 m -134.49 -25.24 1.51 Allowed 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.864 -0.334 . . . . 1.74 111.312 176.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 67.77 151.16 0.07 Allowed 'General case' 0 N--CA 1.472 0.626 0 O-C-N 123.557 0.535 . . . . 3.9500000000000002 111.285 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 77.12 -38.37 1.57 Allowed Glycine 0 CA--C 1.519 0.311 0 C-N-CA 121.02 -0.61 . . . . 1.6000000000000001 112.876 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 48.7 mm -55.76 135.21 19.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 122.958 0.503 . . . . 1.6499999999999999 111.371 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -76.75 114.26 15.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.908 -0.587 . . . . 3.3199999999999998 110.072 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 29.1 p -79.01 -7.07 57.79 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.162 -0.472 . . . . 4.6299999999999999 111.759 -175.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -79.46 -47.49 15.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.985 0.421 . . . . 3.0600000000000001 110.24 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -96.72 -28.59 14.23 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.041 -0.527 . . . . 3.5099999999999998 111.224 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -121.08 157.41 30.12 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.329 0.585 . . . . 3.1699999999999999 111.29 -176.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -124.77 133.17 53.24 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.285 -1.006 . . . . 2.7000000000000002 108.285 169.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.475 ' HB2' ' SG ' ' B' ' 68' ' ' CYS . 2.0 p -104.24 134.1 48.05 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.104 0.478 . . . . 1.9299999999999999 110.887 -177.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . 0.457 ' O ' HG22 ' B' ' 111' ' ' VAL . 73.2 t80 -140.91 140.34 34.49 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.618 -0.719 . . . . 3.73 110.04 -178.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.496 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 67.0 m -95.2 118.98 32.93 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.211 -0.45 . . . . 1.6699999999999999 110.224 179.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 22.5 m -110.39 131.99 54.57 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.341 -0.391 . . . . 2.25 110.624 -178.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.55 103.06 13.35 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.085 -0.507 . . . . 2.7799999999999998 111.287 177.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 9.5 m -76.26 130.43 38.15 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 109.385 -0.598 . . . . 2.6899999999999999 109.385 176.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' HIS . . . . . 0.493 ' HA ' ' O ' ' B' ' 104' ' ' ILE . 65.8 m-70 -105.04 133.91 49.02 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.398 -0.365 . . . . 3.71 110.464 -176.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.637 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 3.1 t -108.88 162.7 13.95 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.9 -0.778 . . . . 1.48 108.9 175.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.495 ' CE2' ' HB3' ' B' ' 103' ' ' ARG . 97.2 m-85 -109.15 115.94 30.99 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.095 0.474 . . . . 1.75 110.594 -176.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 27.3 m -110.76 138.51 38.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.662 -0.699 . . . . 1.0800000000000001 109.94 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . 0.501 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 13.9 pttp -88.89 107.67 19.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.519 0.676 . . . . 3.8199999999999998 110.511 -179.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.58 153.89 46.76 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.248 -0.887 . . . . 1.1299999999999999 110.382 -177.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 19.1 tp -75.04 105.0 5.84 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.521 -0.548 . . . . 1.45 109.521 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . 0.515 HG22 ' HA ' ' B' ' 38' ' ' VAL . 55.6 p -123.2 157.71 32.43 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.294 -0.412 . . . . 1.1499999999999999 109.973 -178.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.464 HG23 ' HB ' ' B' ' 37' ' ' THR . 8.6 t -112.66 125.8 54.69 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.512 0.673 . . . . 1.3200000000000001 110.413 -179.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -67.97 -33.87 75.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.395 -0.821 . . . . 2.46 110.004 178.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -169.78 -40.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.599 -0.728 . . . . 3.0899999999999999 110.394 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -132.17 -67.93 0.64 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.213 -0.449 . . . . 3.2999999999999998 110.533 -178.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -72.82 139.7 47.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.954 -0.566 . . . . 2.7400000000000002 111.137 -178.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -96.54 130.85 43.64 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.658 -0.701 . . . . 1.4399999999999999 110.176 178.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.65 150.84 40.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.395 -0.366 . . . . 1.3899999999999999 110.525 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 90.4 m95 -69.83 110.01 4.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.139 -0.482 . . . . 2.3500000000000001 110.198 177.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' ARG . . . . . 0.501 ' O ' ' HA ' ' B' ' 88' ' ' LYS . 34.0 mmt180 -114.06 153.3 29.68 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.961 -0.563 . . . . 3.48 109.806 179.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.451 ' O ' ' HA ' ' B' ' 30' ' ' ASP . 86.1 m-85 -92.66 103.51 15.88 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.891 -0.781 . . . . 1.98 108.891 174.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . 0.4 ' HB ' ' HB1' ' B' ' 28' ' ' ALA . 30.0 pt -112.13 143.4 21.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.136 0.493 . . . . 0.85999999999999999 110.7 -172.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.637 ' HA ' ' O ' ' B' ' 85' ' ' THR . 38.2 ptt180 -85.62 133.52 34.04 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.661 -0.699 . . . . 3.7200000000000002 111.369 -175.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' ILE . . . . . 0.493 ' O ' ' HA ' ' B' ' 84' ' ' HIS . 40.9 pt -122.63 152.77 27.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.462 -0.79 . . . . 0.82999999999999996 109.949 175.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . 0.458 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 4.5 m-20 -72.42 100.73 2.75 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 108.782 -0.821 . . . . 1.6899999999999999 108.782 177.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.21 -46.69 5.74 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 120.681 -0.407 . . . . 2.29 111.989 -167.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -133.06 141.44 48.23 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.935 0.397 . . . . 1.1499999999999999 111.333 -174.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . 0.496 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 46.0 t -107.29 98.58 8.19 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.554 -0.906 . . . . 1.5600000000000001 108.554 174.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 32.5 m -98.96 143.75 12.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.976 -0.556 . . . . 1.0800000000000001 111.596 -171.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 35.3 t -86.73 113.23 22.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.798 -0.637 . . . . 1.45 109.479 174.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.457 HG22 ' O ' ' B' ' 79' ' ' TYR . 23.0 m -108.28 145.58 15.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.148 -0.478 . . . . 1.52 109.97 178.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.492 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 67.7 mt -106.7 138.26 43.2 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.331 0.586 . . . . 1.6699999999999999 110.613 178.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 40.1 t -115.15 138.35 51.0 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.299 -0.864 . . . . 2.6200000000000001 108.692 173.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 41.7 ttp180 -78.44 7.48 6.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.229 0.537 . . . . 6.7199999999999998 110.143 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt 65.96 41.24 3.78 Favored 'General case' 0 C--O 1.231 0.086 0 CA-C-N 115.203 -0.908 . . . . 4.5899999999999999 109.967 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -127.18 -56.34 1.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.443 -0.799 . . . . 4.5 110.871 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 23.9 p -78.36 150.41 33.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.112 -0.494 . . . . 5.7400000000000002 111.019 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' ARG . . . . . 0.489 ' HE ' ' C ' ' B' ' 118' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.938 0 CA-C-O 119.06 -0.495 . . . . 8.6799999999999997 109.809 -178.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 109.646 -0.501 . . . . 13.98 109.646 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 p -140.98 40.03 1.8 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.223 0.535 . . . . 12.75 110.3 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.9 p -89.82 103.48 16.13 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.623 -0.717 . . . . 11.35 110.886 -178.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -75.95 131.56 75.86 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.753 -0.658 . . . . 10.279999999999999 110.244 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.97 98.07 0.42 Allowed 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 122.352 2.035 . . . . 7.6299999999999999 112.182 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.7 t -69.91 -13.47 17.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.643 -0.708 . . . . 6.6500000000000004 110.117 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -55.37 -41.68 72.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.558 -0.746 . . . . 7.2699999999999996 110.515 175.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 37.5 t60 -72.63 -27.09 61.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.125 0.488 . . . . 7.7199999999999998 110.44 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 77.1 mtp -77.05 -27.64 54.45 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.819 -0.628 . . . . 5.3399999999999999 110.052 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -80.1 1.29 80.75 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.765 -0.652 . . . . 3.98 112.412 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -90.33 -4.62 57.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.754 0.311 . . . . 4.6299999999999999 110.904 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -92.53 77.39 5.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.224 0.535 . . . . 3.6499999999999999 110.016 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.4 m -83.18 150.41 26.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.474 -0.785 . . . . 2.4199999999999999 110.765 -177.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.0 m -59.74 -36.99 69.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 121.132 0.491 . . . . 1.4099999999999999 111.016 174.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.444 ' HA ' ' HG3' ' A' ' 63' ' ' PRO . 45.1 t -122.76 151.99 41.06 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.615 -0.513 . . . . 1.75 109.615 176.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -88.41 114.2 24.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.199 0.523 . . . . 2.8700000000000001 110.431 -175.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.415 ' OG ' ' HB3' ' A' ' 108' ' ' CYS . 25.4 m -105.6 154.25 20.67 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.708 -0.678 . . . . 1.72 110.56 -177.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 56' ' ' THR . 4.2 p -120.62 114.32 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.022 0.439 . . . . 1.51 110.602 174.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.1 m -97.41 116.83 30.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.264 -0.426 . . . . 1.6599999999999999 110.454 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.7 t -119.36 138.09 51.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.185 -0.462 . . . . 1.03 110.696 -178.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -102.76 96.32 6.78 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.137 -0.69 . . . . 1.6100000000000001 109.137 173.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.5 t -77.46 123.07 33.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.386 -0.824 . . . . 0.95999999999999996 110.618 -175.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -95.86 -11.54 54.77 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.568 -0.825 . . . . 1.27 111.73 178.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -138.82 79.46 1.73 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.159 0.504 . . . . 3.02 110.461 -178.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -97.95 136.7 37.86 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.89 -0.781 . . . . 1.3200000000000001 108.89 175.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.9 t -111.48 -27.08 8.75 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.662 0.616 . . . . 1.8200000000000001 112.662 -173.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.2 p -137.24 142.6 42.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.04 0.448 . . . . 1.01 111.895 -178.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.438 ' HB1' ' HB ' ' A' ' 102' ' ' ILE . . . -150.84 171.34 17.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.748 -0.66 . . . . 0.79000000000000004 110.109 175.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.3 m -117.87 121.2 40.11 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.602 0.239 . . . . 1.02 110.392 177.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.462 ' OD2' ' HB3' ' A' ' 100' ' ' ARG . 17.5 t70 -74.19 163.67 27.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.944 -0.571 . . . . 1.8500000000000001 110.029 178.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.9 tt -63.93 -21.31 28.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.34 -0.391 . . . . 1.3300000000000001 111.261 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -75.39 -13.13 60.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.028 0.442 . . . . 2.2200000000000002 110.61 176.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.9 18.37 34.77 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 111.486 -0.646 . . . . 1.25 111.486 -178.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -92.12 134.86 34.46 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.678 0.275 . . . . 2.1400000000000001 110.93 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -84.2 114.32 21.72 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.528 -0.915 . . . . 2.1899999999999999 108.528 172.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.4 m -115.58 149.79 17.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-O 121.196 0.522 . . . . 1.02 111.342 -172.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.46 ' HB ' ' CG2' ' A' ' 92' ' ' THR . 30.4 m -85.83 115.81 23.7 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.209 -0.905 . . . . 1.04 109.239 175.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.558 ' HA ' HG22 ' A' ' 91' ' ' THR . 46.6 t -81.79 139.8 17.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.105 -0.498 . . . . 1.1000000000000001 110.203 -178.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 66.8 mt -96.88 121.78 39.12 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.537 -0.542 . . . . 1.9099999999999999 109.537 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.26 -39.3 92.45 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.317 0.58 . . . . 2.1800000000000002 109.457 177.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -106.45 114.84 29.2 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.154 -0.93 . . . . 3.5899999999999999 108.793 175.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 49' ' ' PHE . 31.0 m -90.59 121.78 41.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.366 0.603 . . . . 2.3999999999999999 110.203 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -92.72 102.6 15.01 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.639 -0.71 . . . . 3.25 110.369 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.7 mt -100.2 62.35 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 108.921 -0.77 . . . . 2.77 108.921 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.448 HD22 ' N ' ' A' ' 45' ' ' ASN . 0.9 OUTLIER 67.27 -79.43 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.035 -0.984 . . . . 3.8399999999999999 111.369 -179.263 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -103.67 -10.46 18.36 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.891 0.33 . . . . 4.7599999999999998 111.891 -175.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.7 t -122.8 115.68 22.43 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.885 0.374 . . . . 3.3300000000000001 110.477 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 23.0 t -115.51 122.04 68.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.008 -0.542 . . . . 2.3700000000000001 109.606 177.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.486 ' O ' HG22 ' A' ' 42' ' ' VAL . 43.9 p90 -163.13 171.35 16.48 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.686 0.279 . . . . 4.1299999999999999 110.306 -177.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -105.88 117.31 33.7 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.218 0.532 . . . . 4.8399999999999999 110.104 175.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -84.06 -8.58 59.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.677 -0.692 . . . . 4.5599999999999996 111.196 -176.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 69.34 150.9 0.09 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.499 -0.773 . . . . 2.46 111.401 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -123.96 119.7 30.34 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.892 -0.595 . . . . 1.1599999999999999 110.04 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.441 ' O ' HD12 ' A' ' 104' ' ' ILE . 29.0 p90 -84.28 116.88 23.21 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.321 0.581 . . . . 3.5600000000000001 110.8 -177.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -123.48 111.76 16.7 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.903 -0.589 . . . . 1.49 109.807 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.461 ' HB ' ' O ' ' A' ' 106' ' ' THR . 44.4 m -99.49 102.25 13.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.179 0.514 . . . . 1.0700000000000001 109.65 175.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -104.48 172.38 6.83 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.491 -0.777 . . . . 2.48 111.299 -171.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 72.7 m -96.68 107.43 19.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.336 -0.847 . . . . 1.73 109.961 175.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -93.7 8.59 40.37 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.557 0.694 . . . . 3.48 109.639 174.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -154.45 117.46 4.45 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.859 -1.064 . . . . 2.5800000000000001 108.977 175.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.3 p -74.31 -26.62 60.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.066 0.46 . . . . 2.7599999999999998 110.07 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -148.62 109.13 3.57 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.29 -0.868 . . . . 2.5899999999999999 109.217 174.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.444 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 25.2 Cg_endo -60.91 -37.23 78.88 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.486 2.124 . . . . 2.5699999999999998 111.732 -178.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.5 m -134.86 157.79 41.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.636 -0.711 . . . . 2.5299999999999998 109.173 177.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -75.95 -8.75 57.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.746 0.308 . . . . 4.1900000000000004 111.407 -175.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.9 m -89.02 -6.01 57.5 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.376 -0.374 . . . . 3.8999999999999999 110.865 176.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.09 -121.89 3.51 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.737 -0.744 . . . . 2.6000000000000001 112.294 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 71.9 m -118.05 56.38 0.86 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.665 -0.315 . . . . 1.73 111.185 -179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 63.21 89.89 0.08 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.86 -0.609 . . . . 3.9399999999999999 111.849 173.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.89 -27.69 11.63 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.603 -0.808 . . . . 1.6100000000000001 112.428 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.1 mm -58.68 137.85 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.682 0.277 . . . . 1.6499999999999999 110.917 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -83.81 116.96 22.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.995 -0.548 . . . . 3.3199999999999998 110.289 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.1 m -73.05 -6.04 42.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.005 -0.543 . . . . 4.6299999999999999 112.329 -173.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -93.15 -26.6 17.35 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.007 0.432 . . . . 3.0600000000000001 110.647 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -104.91 -34.52 8.01 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.175 -0.466 . . . . 3.5099999999999998 111.379 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.544 ' CE3' ' HB3' ' A' ' 112' ' ' LEU . 99.1 m95 -130.1 138.45 50.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.188 0.518 . . . . 3.1699999999999999 111.609 -175.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.423 ' HB3' ' OG ' ' A' ' 113' ' ' SER . 27.5 t-20 -106.93 134.14 50.53 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 107.943 -1.132 . . . . 2.6899999999999999 107.943 167.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.589 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 9.9 m -114.55 151.3 33.6 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.909 0.385 . . . . 1.9299999999999999 111.385 -172.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.439 ' O ' HG22 ' A' ' 111' ' ' VAL . 79.5 t80 -153.06 134.63 14.44 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.843 -0.617 . . . . 3.73 110.016 175.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.688 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 76.4 m -87.94 126.39 35.03 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.108 0.48 . . . . 1.6699999999999999 110.988 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.412 ' O ' HG22 ' A' ' 109' ' ' VAL . 43.1 m -126.13 132.58 51.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.723 -0.672 . . . . 2.2400000000000002 109.873 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.4 t -79.83 132.84 36.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.2 0.524 . . . . 2.7799999999999998 110.157 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.2 p -86.62 155.87 20.26 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.953 -0.567 . . . . 2.6899999999999999 110.428 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.448 ' HB2' ' HB2' ' A' ' 103' ' ' ARG . 19.0 p80 -124.07 120.13 31.49 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.8 0.333 . . . . 3.71 110.854 -178.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.686 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 10.8 t -112.03 160.24 17.68 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.375 -0.602 . . . . 1.48 109.375 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.446 ' HA ' ' O ' ' A' ' 102' ' ' ILE . 88.4 m-85 -109.25 116.23 31.5 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.002 0.43 . . . . 1.75 110.482 -177.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.9 m -115.22 155.16 16.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.83 -0.623 . . . . 1.0800000000000001 110.824 -178.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.463 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 46.1 mtpt -83.0 107.94 15.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.178 -0.464 . . . . 3.8199999999999998 110.334 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.71 140.25 52.19 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.789 -0.642 . . . . 1.1299999999999999 110.259 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.7 tp -74.1 104.44 4.92 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 109.058 -0.719 . . . . 1.45 109.058 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.558 HG22 ' HA ' ' A' ' 38' ' ' VAL . 66.5 p -129.32 166.48 19.4 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.927 -0.578 . . . . 1.1399999999999999 109.732 -176.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.46 ' CG2' ' HB ' ' A' ' 37' ' ' THR . 8.8 t -118.3 116.11 26.09 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.311 0.577 . . . . 1.3200000000000001 110.252 177.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -94.42 -24.92 17.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.91 -0.586 . . . . 2.4700000000000002 111.038 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -124.74 -90.6 0.56 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.741 -0.209 . . . . 3.0899999999999999 110.651 176.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -134.63 3.53 3.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.699 0.285 . . . . 3.29 111.618 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -124.97 159.52 31.06 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.064 -0.347 . . . . 2.7400000000000002 110.064 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.48 128.49 44.29 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.271 -0.422 . . . . 1.4399999999999999 110.026 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.13 152.56 41.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.316 -0.402 . . . . 1.3799999999999999 110.46 -178.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -75.49 100.06 4.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.157 -0.474 . . . . 2.3500000000000001 110.274 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.463 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 33.1 mmt180 -99.89 165.86 11.35 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.694 -0.685 . . . . 3.48 110.102 -178.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -104.64 101.78 11.4 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.572 -0.899 . . . . 1.98 108.572 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.446 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 44.7 pt -112.12 144.81 19.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.048 0.451 . . . . 0.85999999999999999 111.348 -170.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.686 ' HA ' ' O ' ' A' ' 85' ' ' THR . 13.9 ptm180 -79.61 123.79 27.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.149 -0.932 . . . . 3.71 111.203 -179.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.441 HD12 ' O ' ' A' ' 54' ' ' PHE . 35.5 pt -125.29 158.05 33.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.481 -0.781 . . . . 0.82999999999999996 110.015 173.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -65.79 118.29 9.43 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 115.729 -0.668 . . . . 1.6899999999999999 110.031 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.461 ' O ' ' HB ' ' A' ' 56' ' ' THR . 1.7 m -93.07 -57.03 2.76 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.776 -0.647 . . . . 2.29 111.217 -172.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -159.35 155.81 27.45 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.824 -0.625 . . . . 1.1399999999999999 110.054 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.688 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 35.5 t -96.17 108.95 21.47 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.479 -0.563 . . . . 1.5600000000000001 109.479 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 81' ' ' THR . 21.9 m -99.45 150.32 5.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.963 -0.562 . . . . 1.0700000000000001 110.663 -174.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.589 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 54.0 t -101.06 115.25 30.05 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.584 -0.524 . . . . 1.45 109.584 177.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 79' ' ' TYR . 15.3 m -89.59 149.12 4.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.705 -0.48 . . . . 1.52 109.705 177.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.544 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . 93.9 mt -118.91 139.54 51.47 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.004 0.431 . . . . 1.6699999999999999 110.545 -178.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.423 ' OG ' ' HB3' ' A' ' 77' ' ' ASN . 28.8 p -131.46 150.0 52.32 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.187 -0.46 . . . . 2.6200000000000001 110.023 175.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -75.41 8.58 2.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.379 -0.373 . . . . 6.7300000000000004 111.891 -178.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt 74.8 -51.03 0.67 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.692 0.797 . . . . 4.5899999999999999 110.381 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -83.99 170.28 14.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.879 -0.6 . . . . 4.5 109.435 172.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 62.5 p 58.54 168.08 0.05 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.857 0.863 . . . . 5.7400000000000002 112.357 -178.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.145 -0.931 . . . . 8.6699999999999999 109.952 -179.358 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 109.816 -0.439 . . . . 13.98 109.816 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 11.4 p -140.66 39.06 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.273 0.559 . . . . 12.76 110.45 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 6.7 p -89.08 103.56 16.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.713 -0.676 . . . . 11.359999999999999 110.926 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -76.2 131.79 74.68 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.817 -0.629 . . . . 10.289999999999999 110.063 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -67.03 98.17 0.43 Allowed 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.36 2.04 . . . . 7.6299999999999999 112.007 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.7 t -70.12 -13.27 16.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.728 -0.669 . . . . 6.6500000000000004 110.128 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -55.66 -41.66 73.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.617 -0.719 . . . . 7.2699999999999996 110.599 175.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 36.9 t60 -72.35 -27.37 62.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 7.7199999999999998 110.335 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 76.6 mtp -76.87 -27.59 55.09 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.992 -0.549 . . . . 5.3399999999999999 110.122 -178.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -79.9 0.97 81.15 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.799 -0.637 . . . . 3.98 112.397 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -90.15 -4.25 57.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.827 0.346 . . . . 4.6200000000000001 110.827 178.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -92.63 77.09 4.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.192 0.52 . . . . 3.6499999999999999 110.062 178.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 4.4 m -82.81 150.45 26.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.531 -0.758 . . . . 2.4199999999999999 110.815 -177.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.8 m -59.72 -37.17 69.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-O 121.13 0.491 . . . . 1.4099999999999999 110.918 174.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.446 ' HA ' ' HG3' ' B' ' 63' ' ' PRO . 45.7 t -122.58 152.1 40.76 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.529 -0.545 . . . . 1.75 109.529 176.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -88.44 114.21 24.82 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.143 0.497 . . . . 2.8700000000000001 110.339 -175.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.42 ' OG ' ' HB3' ' B' ' 108' ' ' CYS . 26.0 m -105.35 154.78 19.82 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.72 -0.673 . . . . 1.72 110.58 -177.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.445 ' O ' ' HA ' ' B' ' 56' ' ' THR . 4.3 p -121.22 114.3 42.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.069 0.461 . . . . 1.51 110.587 174.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 48.3 m -97.09 116.67 29.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.219 -0.446 . . . . 1.6599999999999999 110.371 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 60.9 t -119.34 137.94 51.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.346 -0.388 . . . . 1.03 110.687 -178.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 86.2 m95 -102.52 96.45 6.92 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.144 -0.688 . . . . 1.6100000000000001 109.144 173.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 43.4 t -77.56 123.25 33.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.405 -0.816 . . . . 0.95999999999999996 110.467 -175.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.02 -11.56 54.42 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.539 -0.839 . . . . 1.27 111.697 178.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -138.59 80.0 1.77 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.111 0.482 . . . . 3.0099999999999998 110.352 -178.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -98.34 136.56 38.33 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.852 -0.796 . . . . 1.3200000000000001 108.852 174.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 14.2 t -111.49 -26.86 8.85 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.671 0.619 . . . . 1.8200000000000001 112.671 -173.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 6.8 p -137.25 142.67 42.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 121.92 -0.488 . . . . 1.0 111.892 -178.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.434 ' HB1' ' HB ' ' B' ' 102' ' ' ILE . . . -150.75 171.28 17.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.903 -0.59 . . . . 0.79000000000000004 110.269 175.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 16.9 m -117.74 121.36 40.62 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.685 0.279 . . . . 1.01 110.445 177.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . 0.483 ' OD2' ' HB3' ' B' ' 100' ' ' ARG . 17.4 t70 -74.2 163.65 27.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.864 -0.607 . . . . 1.8400000000000001 109.885 178.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.0 tt -63.87 -21.43 28.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.063 0.459 . . . . 1.3300000000000001 111.233 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -75.21 -13.4 60.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.427 -0.351 . . . . 2.2200000000000002 110.502 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.19 17.87 35.69 Favored Glycine 0 N--CA 1.45 -0.417 0 N-CA-C 111.546 -0.621 . . . . 1.25 111.546 -178.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -91.68 135.09 34.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.677 0.275 . . . . 2.1400000000000001 110.982 -178.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -84.52 114.28 21.83 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.517 -0.92 . . . . 2.1899999999999999 108.517 172.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 m -115.51 149.91 17.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-O 121.174 0.511 . . . . 1.01 111.362 -172.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . 0.452 ' HB ' ' CG2' ' B' ' 92' ' ' THR . 27.9 m -85.96 115.89 23.85 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 115.222 -0.899 . . . . 1.04 109.297 175.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.582 ' HA ' HG22 ' B' ' 91' ' ' THR . 47.2 t -81.99 140.14 16.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 116.06 -0.518 . . . . 1.1000000000000001 109.992 -177.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 66.9 mt -97.27 121.88 39.67 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.573 -0.528 . . . . 1.9099999999999999 109.573 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.19 92.26 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 115.928 -0.578 . . . . 2.1800000000000002 109.544 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -106.37 114.66 28.92 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.224 -0.898 . . . . 3.5899999999999999 108.93 175.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.481 HG22 ' O ' ' B' ' 49' ' ' PHE . 32.0 m -90.58 121.92 41.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.368 0.604 . . . . 2.3900000000000001 110.149 -178.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -92.56 102.41 14.85 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.517 0.675 . . . . 3.25 110.408 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 14.5 mt -100.3 62.24 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 108.976 -0.75 . . . . 2.77 108.976 177.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . 0.444 ' N ' HD22 ' B' ' 45' ' ' ASN . 0.9 OUTLIER 67.27 -79.25 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 114.944 -1.025 . . . . 3.8399999999999999 111.311 -179.43 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 29.3 p-10 -103.48 -10.78 18.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.416 -0.356 . . . . 4.7599999999999998 111.822 -175.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 20.5 t -122.81 115.48 22.08 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.963 0.411 . . . . 3.3300000000000001 110.425 -176.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.472 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 22.8 t -114.94 122.79 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.932 -0.576 . . . . 2.3799999999999999 109.466 177.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . 0.481 ' O ' HG22 ' B' ' 42' ' ' VAL . 43.7 p90 -163.78 171.21 15.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.722 0.296 . . . . 4.1299999999999999 110.506 -178.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -105.64 116.9 32.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.087 0.47 . . . . 4.8399999999999999 110.246 175.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -83.83 -8.53 59.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.826 -0.624 . . . . 4.5599999999999996 111.19 -176.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 69.2 150.84 0.08 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.443 -0.798 . . . . 2.4500000000000002 111.368 -178.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -124.0 119.57 29.93 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.875 -0.602 . . . . 1.1599999999999999 110.017 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . 0.457 ' O ' HD12 ' B' ' 104' ' ' ILE . 29.2 p90 -84.17 116.85 23.14 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.226 0.536 . . . . 3.5600000000000001 110.772 -177.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -123.31 111.71 16.74 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.868 -0.605 . . . . 1.49 109.862 177.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.461 ' HB ' ' O ' ' B' ' 106' ' ' THR . 45.7 m -99.49 102.12 13.57 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.485 -0.561 . . . . 1.0700000000000001 109.485 175.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -104.46 172.13 6.96 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.613 -0.721 . . . . 2.48 111.242 -171.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 70.3 m -96.32 107.34 19.69 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.394 -0.821 . . . . 1.73 110.007 175.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -93.57 8.45 40.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.529 0.681 . . . . 3.4900000000000002 109.684 174.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -154.41 117.21 4.4 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.847 -1.069 . . . . 2.5800000000000001 109.154 175.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 17.5 p -74.26 -26.29 60.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.164 0.507 . . . . 2.7599999999999998 110.208 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -148.58 109.52 3.59 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.233 -0.894 . . . . 2.5899999999999999 109.046 174.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . 0.446 ' HG3' ' HA ' ' B' ' 15' ' ' CYS . 25.4 Cg_endo -61.4 -36.66 77.05 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.523 2.149 . . . . 2.5699999999999998 111.789 -178.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 31.5 m -135.24 158.2 40.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.662 -0.699 . . . . 2.5299999999999998 109.226 177.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -76.32 -8.87 58.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.675 0.274 . . . . 4.2000000000000002 111.295 -175.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 9.2 m -89.12 -6.09 57.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.274 -0.421 . . . . 3.8999999999999999 110.855 176.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 130.35 -121.78 3.43 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.766 -0.731 . . . . 2.6000000000000001 112.323 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 71.9 m -118.26 55.9 0.88 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.596 0.236 . . . . 1.74 111.236 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 63.75 89.64 0.09 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.76 -0.654 . . . . 3.9500000000000002 111.849 173.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.85 -27.07 12.56 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.618 -0.801 . . . . 1.6000000000000001 112.405 177.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 49.0 mm -59.31 137.63 21.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.728 0.299 . . . . 1.6499999999999999 111.053 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -83.52 117.0 22.82 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.142 -0.481 . . . . 3.3199999999999998 110.351 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 4.8 m -73.07 -6.21 44.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.912 -0.585 . . . . 4.6299999999999999 112.239 -173.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -93.38 -26.27 17.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.097 0.475 . . . . 3.0600000000000001 110.789 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -105.23 -34.14 8.0 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.113 -0.494 . . . . 3.5099999999999998 111.417 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' TRP . . . . . 0.558 ' CE3' ' HB3' ' B' ' 112' ' ' LEU . 99.1 m95 -130.28 138.37 50.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.32 0.581 . . . . 3.1699999999999999 111.57 -175.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' ASN . . . . . 0.425 ' HB3' ' OG ' ' B' ' 113' ' ' SER . 27.5 t-20 -107.04 134.22 50.51 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.918 -1.141 . . . . 2.7000000000000002 107.918 168.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.592 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 9.0 m -114.79 151.28 34.07 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.914 0.388 . . . . 1.9299999999999999 111.515 -172.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . 0.432 ' O ' HG22 ' B' ' 111' ' ' VAL . 79.6 t80 -153.17 134.6 14.32 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.788 -0.642 . . . . 3.73 109.971 176.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.691 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 76.3 m -88.02 126.25 34.98 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.22 0.533 . . . . 1.6699999999999999 111.028 -179.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.418 ' O ' HG22 ' B' ' 109' ' ' VAL . 36.5 m -125.93 132.44 52.1 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.707 -0.679 . . . . 2.25 109.95 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.2 t -80.02 132.56 36.02 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.005 0.431 . . . . 2.7799999999999998 110.273 178.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 6.4 p -86.52 155.44 20.5 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.037 -0.528 . . . . 2.6899999999999999 110.517 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' HIS . . . . . 0.47 ' HB2' ' HB2' ' B' ' 103' ' ' ARG . 19.1 p80 -123.35 120.63 33.61 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.8 0.333 . . . . 3.71 110.916 -178.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.691 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 10.3 t -112.37 160.13 18.01 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.381 -0.6 . . . . 1.48 109.381 178.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.452 ' HA ' ' O ' ' B' ' 102' ' ' ILE . 87.2 m-85 -109.06 116.25 31.62 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.926 0.393 . . . . 1.75 110.431 -176.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 29.8 m -115.25 155.19 16.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.937 -0.574 . . . . 1.0800000000000001 110.756 -178.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . 0.454 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 46.1 mtpt -82.93 107.79 15.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 3.8199999999999998 110.333 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.74 140.11 52.27 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.788 -0.642 . . . . 1.1299999999999999 110.221 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 18.8 tp -73.9 104.5 4.79 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 109.039 -0.726 . . . . 1.45 109.039 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . 0.582 HG22 ' HA ' ' B' ' 38' ' ' VAL . 65.3 p -129.5 166.24 20.04 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.982 -0.554 . . . . 1.1499999999999999 109.625 -176.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.452 ' CG2' ' HB ' ' B' ' 37' ' ' THR . 8.8 t -118.17 116.03 25.99 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.398 0.618 . . . . 1.3200000000000001 110.137 178.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -94.25 -25.22 17.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.841 -0.618 . . . . 2.46 110.926 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -124.73 -91.03 0.55 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.739 -0.21 . . . . 3.0899999999999999 110.501 176.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -134.29 3.48 3.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.756 0.312 . . . . 3.2999999999999998 111.563 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -124.97 159.47 31.17 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.085 -0.339 . . . . 2.7400000000000002 110.085 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -97.2 128.25 43.92 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.236 -0.438 . . . . 1.4399999999999999 110.178 178.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.75 152.57 42.45 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.327 -0.397 . . . . 1.3899999999999999 110.648 -178.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -75.37 100.46 4.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.125 0.488 . . . . 2.3500000000000001 110.136 178.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' ARG . . . . . 0.483 ' HB3' ' OD2' ' B' ' 30' ' ' ASP . 33.2 mmt180 -100.26 165.42 11.49 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.587 -0.733 . . . . 3.48 110.137 -179.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -104.2 101.79 11.52 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.662 -0.866 . . . . 1.98 108.662 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' B' ' 86' ' ' PHE . 44.9 pt -112.15 144.9 19.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.117 0.484 . . . . 0.85999999999999999 111.334 -170.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.691 ' HA ' ' O ' ' B' ' 85' ' ' THR . 13.9 ptm180 -79.56 123.79 27.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.143 -0.935 . . . . 3.7200000000000002 111.227 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' ILE . . . . . 0.457 HD12 ' O ' ' B' ' 54' ' ' PHE . 35.7 pt -125.34 157.97 33.99 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 CA-C-N 115.502 -0.772 . . . . 0.82999999999999996 110.011 173.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -65.53 118.35 9.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.73 -0.668 . . . . 1.6899999999999999 110.075 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . 0.461 ' O ' ' HB ' ' B' ' 56' ' ' THR . 1.7 m -93.32 -56.81 2.81 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.834 -0.621 . . . . 2.29 111.238 -172.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -159.63 155.7 26.63 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.829 -0.623 . . . . 1.1499999999999999 109.974 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . 0.691 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 35.7 t -96.14 108.89 21.4 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.351 -0.611 . . . . 1.5600000000000001 109.351 178.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.418 HG22 ' O ' ' B' ' 81' ' ' THR . 21.9 m -99.39 150.15 5.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.984 -0.553 . . . . 1.0800000000000001 110.77 -174.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.592 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 54.0 t -100.95 115.24 29.98 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.567 -0.531 . . . . 1.45 109.567 177.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.432 HG22 ' O ' ' B' ' 79' ' ' TYR . 15.6 m -89.75 149.31 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 N-CA-C 109.642 -0.503 . . . . 1.52 109.642 177.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.558 ' HB3' ' CE3' ' B' ' 76' ' ' TRP . 94.2 mt -118.88 139.65 51.28 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.984 0.421 . . . . 1.6699999999999999 110.604 -178.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.425 ' OG ' ' HB3' ' B' ' 77' ' ' ASN . 29.7 p -131.45 150.27 52.21 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.241 -0.436 . . . . 2.6200000000000001 110.082 175.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -75.85 8.52 3.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.402 -0.363 . . . . 6.7199999999999998 111.658 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt 74.82 -51.05 0.67 Allowed 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.618 0.767 . . . . 4.5899999999999999 110.295 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -83.98 170.67 13.72 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.437 -0.579 . . . . 4.5 109.437 172.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 64.0 p 58.16 168.49 0.05 OUTLIER 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.03 0.932 . . . . 5.7400000000000002 112.266 -178.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' ARG . . . . . . . . . . . . . 77.1 mtm180 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.306 -0.854 . . . . 8.6799999999999997 109.941 -179.427 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.482 1.129 0 CA-C-O 120.815 0.341 . . . . 13.98 111.024 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.9 t -109.81 -3.69 16.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.903 0.383 . . . . 12.75 110.681 -178.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.0 p -79.28 75.0 5.86 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.3 -0.409 . . . . 11.35 110.847 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.401 ' C ' ' H ' ' A' ' 6' ' ' VAL . 33.4 t60 59.14 79.82 0.29 Allowed Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 115.83 -0.623 . . . . 10.279999999999999 110.154 -179.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.68 32.82 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.79 2.327 . . . . 7.6299999999999999 112.588 -178.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.419 ' O ' HG12 ' A' ' 6' ' ' VAL . 6.2 t 60.16 19.22 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 115.443 -0.799 . . . . 6.6500000000000004 110.704 178.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 12.4 t80 55.78 53.41 9.45 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.612 -0.722 . . . . 7.2699999999999996 109.767 -176.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.1 t60 63.38 44.04 5.71 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.667 -0.697 . . . . 7.7199999999999998 110.02 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 71.5 mtp 62.15 26.41 15.87 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.819 -0.628 . . . . 5.3399999999999999 111.007 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.9 142.12 11.6 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 111.41 -0.676 . . . . 3.98 111.41 -176.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -74.64 75.46 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.43 0.633 . . . . 4.6299999999999999 110.309 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -47.86 137.35 9.93 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 114.81 -1.087 . . . . 3.6499999999999999 111.489 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.5 m -123.75 137.54 54.67 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.715 -0.675 . . . . 2.4199999999999999 110.159 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.5 m -63.79 -23.33 33.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-O 121.165 0.507 . . . . 1.4099999999999999 110.6 176.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.7 t -132.47 133.61 44.05 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.584 -0.895 . . . . 1.75 108.584 173.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -67.26 130.31 42.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.301 0.572 . . . . 2.8700000000000001 110.996 -175.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.43 ' HB2' HG22 ' A' ' 56' ' ' THR . 32.8 p -123.91 148.15 47.09 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.689 -0.687 . . . . 1.72 110.34 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.47 115.35 49.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.244 0.545 . . . . 1.51 110.21 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.6 p -94.72 113.82 25.65 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.673 -0.694 . . . . 1.6599999999999999 110.179 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.5 t -121.61 138.19 52.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.039 -0.528 . . . . 1.03 110.666 -176.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 86.9 m95 -90.82 95.57 10.2 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.42 -0.955 . . . . 1.6100000000000001 108.42 169.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.1 t -69.57 117.84 12.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.634 -0.712 . . . . 0.95999999999999996 109.765 -176.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.493 ' HA2' ' CD1' ' A' ' 52' ' ' TYR . . . -73.87 -35.04 55.11 Favored Glycine 0 N--CA 1.44 -1.042 0 CA-C-N 115.561 -0.745 . . . . 1.27 112.659 -175.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -138.23 71.68 1.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.805 0.302 . . . . 3.02 111.397 -175.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.8 tttp -71.83 131.57 43.23 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.031 -0.729 . . . . 1.3200000000000001 109.031 173.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 37' ' ' THR . 11.5 t -102.54 -33.21 9.57 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.847 0.684 . . . . 1.8200000000000001 112.847 -171.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.7 p -141.63 144.0 33.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.031 -0.418 . . . . 1.01 111.742 -176.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.47 159.47 38.67 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.837 -0.62 . . . . 0.79000000000000004 110.512 175.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.7 m -96.03 120.64 36.68 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.406 -0.361 . . . . 1.02 110.649 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -67.81 160.64 27.87 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.914 -0.585 . . . . 1.8500000000000001 109.788 174.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.5 tt -54.9 -30.84 23.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.765 0.317 . . . . 1.3300000000000001 111.515 -177.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -80.06 2.56 23.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.528 -0.306 . . . . 2.2200000000000002 111.539 -177.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.37 28.49 27.39 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.936 -0.649 . . . . 1.25 112.011 178.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -101.92 113.06 25.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.483 0.182 . . . . 2.1400000000000001 110.686 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -76.55 113.91 14.69 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.308 -0.997 . . . . 2.1899999999999999 108.308 173.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.0 m -130.44 159.41 42.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-O 121.185 0.517 . . . . 1.02 111.811 -171.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.408 ' HB ' ' CG2' ' A' ' 92' ' ' THR . 26.0 m -81.81 115.46 21.03 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.017 -0.992 . . . . 1.04 110.01 178.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.4 t -85.27 140.36 16.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.645 -0.707 . . . . 1.1000000000000001 110.367 -177.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 64.7 mt -105.59 123.53 48.06 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.484 -0.561 . . . . 1.9099999999999999 109.484 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -76.33 -20.05 57.63 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.985 -0.552 . . . . 2.1800000000000002 110.453 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -105.42 115.54 30.43 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.451 -0.944 . . . . 3.5899999999999999 108.451 178.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.474 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 20.9 m -97.86 129.62 47.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 C-N-CA 120.459 -0.497 . . . . 2.3999999999999999 110.751 -176.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.418 ' H ' HD22 ' A' ' 90' ' ' LEU . 9.1 p30 -104.12 115.7 30.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.533 0.682 . . . . 3.25 110.319 177.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 70.3 mt -109.11 95.09 3.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.529 -0.76 . . . . 2.77 109.042 174.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 14.9 m120 67.76 -83.2 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.312 -0.858 . . . . 3.8399999999999999 110.326 -176.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -136.28 24.89 3.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.051 0.453 . . . . 4.7599999999999998 110.614 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.5 t -123.12 114.37 20.24 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.512 -0.551 . . . . 3.3300000000000001 109.512 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.474 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 41.8 t -112.93 122.68 67.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.094 -0.503 . . . . 2.3700000000000001 110.424 -179.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.451 ' O ' HG22 ' A' ' 42' ' ' VAL . 42.1 p90 -149.89 152.09 34.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.415 -0.357 . . . . 4.1299999999999999 110.675 179.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.16 146.99 35.89 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.539 -0.541 . . . . 4.8399999999999999 109.539 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.05 1.26 2.45 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.939 -0.304 . . . . 4.5599999999999996 111.435 -178.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.493 ' CD1' ' HA2' ' A' ' 23' ' ' GLY . 7.1 m-85 68.27 176.21 0.26 Allowed 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.856 0.723 . . . . 2.46 111.122 178.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -127.16 125.07 40.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 1.1599999999999999 110.602 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -84.39 108.53 17.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.772 0.32 . . . . 3.5600000000000001 110.621 -177.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -123.5 136.73 54.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.161 -0.472 . . . . 1.49 110.407 178.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.43 HG22 ' HB2' ' A' ' 17' ' ' SER . 32.5 m -117.03 110.02 17.71 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 116.052 -0.522 . . . . 1.0700000000000001 109.606 178.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -104.03 146.38 28.79 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.234 -0.439 . . . . 2.48 110.63 -173.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.543 ' SG ' HG23 ' A' ' 82' ' ' THR . 73.1 m -72.23 122.33 20.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.299 -0.41 . . . . 1.73 110.332 176.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -79.15 86.04 4.99 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.439 -0.578 . . . . 3.48 109.439 176.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 72.89 139.96 0.06 Allowed 'General case' 0 N--CA 1.465 0.296 0 O-C-N 124.082 0.864 . . . . 2.5800000000000001 110.195 -171.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 41.4 m -76.21 -4.32 41.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.068 -0.515 . . . . 2.7599999999999998 112.04 -174.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -149.26 104.9 3.33 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.435 -0.348 . . . . 2.5899999999999999 110.112 177.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.78 -34.48 61.45 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.278 1.985 . . . . 2.5699999999999998 111.558 175.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.8 m -121.4 154.65 25.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.863 -0.608 . . . . 2.5299999999999998 109.574 176.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -79.1 65.05 4.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.313 0.578 . . . . 4.1900000000000004 110.779 -175.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 76.0 p -177.87 -28.15 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.979 -1.009 . . . . 3.8999999999999999 109.412 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.448 ' CA ' ' HB2' ' A' ' 78' ' ' SER . . . 162.13 -114.34 0.6 Allowed Glycine 0 N--CA 1.442 -0.966 0 CA-C-N 115.418 -0.81 . . . . 2.6000000000000001 112.055 179.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 73.8 m -116.66 166.34 12.23 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.108 -0.33 . . . . 1.73 110.108 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.442 HH11 ' HD3' ' A' ' 69' ' ' ARG . 33.2 mtm180 -72.67 131.88 42.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.491 -0.322 . . . . 3.9399999999999999 110.523 -178.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.52 -34.57 4.65 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.773 -0.727 . . . . 1.6100000000000001 112.494 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.2 mm -63.94 132.57 29.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.907 0.384 . . . . 1.6499999999999999 111.578 -177.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -67.77 105.93 2.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.711 -0.677 . . . . 3.3199999999999998 109.432 173.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.493 ' HA ' ' O ' ' A' ' 76' ' ' TRP . 19.9 m -79.16 1.2 25.3 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.042 -0.526 . . . . 4.6299999999999999 111.645 -173.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -90.13 -41.23 11.76 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.542 -0.54 . . . . 3.0600000000000001 109.542 177.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -86.45 -31.28 21.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.471 -0.786 . . . . 3.5099999999999998 111.245 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.493 ' O ' ' HA ' ' A' ' 73' ' ' SER . 84.6 m95 -137.28 130.77 31.33 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.847 0.314 . . . . 3.1699999999999999 111.847 -175.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.573 ' HB3' ' O ' ' A' ' 113' ' ' SER . 28.0 t-20 -92.53 135.34 34.14 Favored 'General case' 0 CA--C 1.513 -0.48 0 N-CA-C 107.368 -1.345 . . . . 2.6899999999999999 107.368 167.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.805 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 0.9 OUTLIER -111.37 151.14 28.8 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.112 0.482 . . . . 1.9299999999999999 111.728 -170.473 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -147.25 133.79 19.8 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.375 -0.829 . . . . 3.73 109.064 177.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.468 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 34.6 m -81.33 123.43 28.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.841 0.353 . . . . 1.6699999999999999 110.422 -178.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.8 m -128.13 129.13 46.07 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.168 -0.469 . . . . 2.2400000000000002 109.926 -177.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.543 HG23 ' SG ' ' A' ' 58' ' ' CYS . 1.2 p -80.41 134.12 35.97 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.016 0.436 . . . . 2.7799999999999998 111.442 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.9 p -76.79 137.46 39.27 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 121.324 0.583 . . . . 2.6899999999999999 110.69 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -103.45 119.93 39.85 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.152 -0.931 . . . . 3.71 111.07 -173.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.549 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 13.2 t -125.99 161.9 26.49 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.555 -0.535 . . . . 1.48 109.555 176.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -110.33 119.63 39.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.838 0.352 . . . . 1.75 110.458 -177.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.6 m -113.85 153.51 15.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.061 -0.518 . . . . 1.0800000000000001 111.303 -178.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.445 ' HG2' ' CE2' ' A' ' 101' ' ' PHE . 89.0 mttt -80.01 105.96 11.68 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.244 -0.889 . . . . 3.8199999999999998 110.166 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.82 144.37 51.09 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.183 -0.462 . . . . 1.1299999999999999 110.541 -178.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.418 HD22 ' H ' ' A' ' 43' ' ' ASN . 29.1 tp -80.83 133.06 35.54 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.232 -0.655 . . . . 1.45 109.232 178.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 67.4 p -129.29 160.63 32.39 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.882 -0.414 . . . . 1.1399999999999999 109.882 -179.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.408 ' CG2' ' HB ' ' A' ' 37' ' ' THR . 4.7 t -99.77 110.22 22.61 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.465 0.65 . . . . 1.3200000000000001 109.429 175.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -69.15 -33.94 74.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.395 -0.82 . . . . 2.4700000000000002 109.895 -178.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -175.82 -73.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.257 -0.883 . . . . 3.0899999999999999 108.768 176.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.433 ' HB2' ' NE2' ' A' ' 96' ' ' GLN . 52.6 mttp -108.82 -24.66 11.17 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.848 -0.615 . . . . 3.29 109.694 174.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.433 ' NE2' ' HB2' ' A' ' 95' ' ' LYS . 22.2 mp0 -103.03 152.0 21.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.563 -0.744 . . . . 2.7400000000000002 110.431 -176.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -98.83 125.47 44.22 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.065 -0.516 . . . . 1.4399999999999999 110.123 176.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -129.08 141.92 51.06 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.31 -0.405 . . . . 1.3799999999999999 110.664 -177.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -77.65 126.38 30.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.071 -0.513 . . . . 2.3500000000000001 110.542 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -122.73 172.19 8.61 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.278 -0.419 . . . . 3.48 110.105 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.445 ' CE2' ' HG2' ' A' ' 88' ' ' LYS . 89.8 m-85 -113.36 106.6 14.78 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.348 -0.982 . . . . 1.98 108.348 176.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 39.6 pt -111.94 143.94 20.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.235 0.54 . . . . 0.85999999999999999 111.351 -170.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.549 ' HA ' ' O ' ' A' ' 85' ' ' THR . 38.0 ptt180 -77.47 123.9 27.18 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.079 -0.964 . . . . 3.71 110.48 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 45.5 pt -123.27 151.91 27.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.989 -0.551 . . . . 0.82999999999999996 110.319 174.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.425 ' HB3' ' HB ' ' A' ' 82' ' ' THR . 13.4 m-20 -79.14 100.6 7.5 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.362 -0.977 . . . . 1.6899999999999999 108.362 175.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.474 HG21 ' OG1' ' B' ' 106' ' ' THR . 8.9 t -94.29 -18.67 21.41 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 112.394 0.516 . . . . 2.29 112.394 -169.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -160.96 171.73 18.18 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.855 -0.424 . . . . 1.1399999999999999 109.855 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 51.8 t -125.39 119.92 29.64 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.881 0.372 . . . . 1.5600000000000001 110.203 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.0 m -112.39 175.67 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.003 -0.544 . . . . 1.0700000000000001 109.693 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.805 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 42.3 t -124.76 117.72 24.81 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 110.012 -0.366 . . . . 1.45 110.012 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 78' ' ' SER . 23.4 m -85.62 148.27 4.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.614 -0.513 . . . . 1.52 109.614 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.1 mt -119.4 136.7 54.17 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.819 -0.352 . . . . 1.6699999999999999 110.782 -177.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.573 ' O ' ' HB3' ' A' ' 77' ' ' ASN . 27.4 p -178.64 99.06 0.03 OUTLIER 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.01 -0.541 . . . . 2.6200000000000001 110.839 176.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.41 ' N ' ' H ' ' A' ' 77' ' ' ASN . 26.6 tpt180 -99.81 -40.66 7.61 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.929 0.871 . . . . 6.7300000000000004 108.864 167.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -123.62 143.9 49.94 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.29 -1.323 . . . . 4.5899999999999999 109.104 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -126.35 125.72 42.71 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.905 0.383 . . . . 4.5 111.011 -177.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 39.2 p -88.25 -178.89 6.03 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.824 -0.626 . . . . 5.7400000000000002 109.744 175.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 . . . . . 0 C--O 1.25 1.13 0 CA-C-O 119.011 -0.518 . . . . 8.6699999999999999 110.02 -178.083 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 N--CA 1.477 0.924 0 CA-C-O 120.561 0.22 . . . . 13.98 110.753 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -109.09 -4.28 16.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.846 0.355 . . . . 12.76 110.727 -177.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 3.8 p -78.55 75.36 5.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.256 -0.429 . . . . 11.359999999999999 110.916 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . 0.412 ' C ' ' H ' ' B' ' 6' ' ' VAL . 32.7 t60 58.82 79.63 0.3 Allowed Pre-proline 0 CA--C 1.532 0.255 0 CA-C-N 115.784 -0.643 . . . . 10.289999999999999 110.217 -179.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -75.16 32.47 0.37 Allowed 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.903 2.402 . . . . 7.6299999999999999 112.638 -178.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . 0.424 ' O ' HG12 ' B' ' 6' ' ' VAL . 6.3 t 60.49 18.88 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 115.535 -0.757 . . . . 6.6500000000000004 110.639 178.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 12.6 t80 56.0 53.49 9.11 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.481 -0.781 . . . . 7.2699999999999996 109.779 -176.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 31.4 t60 63.31 43.94 5.86 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.57 -0.741 . . . . 7.7199999999999998 110.058 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 72.1 mtp 62.18 26.73 16.06 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.782 -0.644 . . . . 5.3399999999999999 110.89 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.91 142.59 11.89 Favored Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 111.355 -0.698 . . . . 3.98 111.355 -176.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -75.04 76.25 2.23 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.511 0.672 . . . . 4.6200000000000001 110.174 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -48.4 137.19 11.63 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 114.662 -1.154 . . . . 3.6499999999999999 111.651 -179.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 10.6 m -123.65 137.41 54.73 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.706 -0.679 . . . . 2.4199999999999999 110.144 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.0 m -63.74 -23.2 32.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 121.299 0.571 . . . . 1.4099999999999999 110.612 176.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 43.5 t -132.62 133.75 44.02 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.54 -0.911 . . . . 1.75 108.54 173.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -67.48 130.69 43.83 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.201 0.524 . . . . 2.8700000000000001 111.03 -175.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.439 ' HB2' HG22 ' B' ' 56' ' ' THR . 31.8 p -123.97 148.45 46.93 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.675 -0.693 . . . . 1.72 110.229 -178.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.75 115.23 48.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.228 0.537 . . . . 1.51 110.128 177.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 17.2 p -94.59 114.1 26.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.753 -0.658 . . . . 1.6599999999999999 110.115 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 60.0 t -122.03 138.18 53.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.113 -0.494 . . . . 1.03 110.61 -176.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -91.09 95.49 10.11 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.364 -0.976 . . . . 1.6100000000000001 108.364 169.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 51.2 t -69.54 118.11 13.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.607 -0.724 . . . . 0.95999999999999996 109.651 -176.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.491 ' HA2' ' CD1' ' B' ' 52' ' ' TYR . . . -74.04 -35.05 54.5 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-N 115.499 -0.773 . . . . 1.27 112.621 -176.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -138.4 71.74 1.4 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.862 0.331 . . . . 3.0099999999999998 111.382 -175.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -71.95 131.69 43.3 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.072 -0.714 . . . . 1.3200000000000001 109.072 173.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 10.3 t -102.41 -33.15 9.65 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.781 0.66 . . . . 1.8200000000000001 112.781 -170.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 7.8 p -141.66 144.23 34.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.952 0.406 . . . . 1.0 111.806 -176.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.43 159.46 38.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.921 -0.581 . . . . 0.79000000000000004 110.459 175.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 8.1 m -95.89 120.56 36.38 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.306 -0.406 . . . . 1.01 110.701 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -68.09 160.66 28.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.856 -0.611 . . . . 1.8400000000000001 109.872 174.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 13.4 tt -54.7 -31.0 23.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 CA-C-O 120.806 0.336 . . . . 1.3300000000000001 111.681 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -79.98 2.74 22.44 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.44 -0.346 . . . . 2.2200000000000002 111.421 -177.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.0 28.55 28.22 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.795 -0.717 . . . . 1.25 112.036 178.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -101.85 113.16 26.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.498 0.189 . . . . 2.1400000000000001 110.745 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 30.5 tp10 -76.46 114.05 14.74 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.291 -1.003 . . . . 2.1899999999999999 108.291 173.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 13.9 m -130.73 159.46 42.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.144 0.497 . . . . 1.01 111.891 -171.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . 0.428 ' HB ' ' CG2' ' B' ' 92' ' ' THR . 23.7 m -81.52 115.62 20.91 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.94 -1.027 . . . . 1.04 110.024 178.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 58.6 t -85.33 140.44 15.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.743 -0.662 . . . . 1.1000000000000001 110.219 -177.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 65.4 mt -105.68 123.32 47.74 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.529 -0.545 . . . . 1.9099999999999999 109.529 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.83 -20.03 58.46 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.368 0.604 . . . . 2.1800000000000002 110.653 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -105.42 115.58 30.5 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.419 -0.956 . . . . 3.5899999999999999 108.419 178.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.486 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 21.1 m -97.97 129.74 47.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 C-N-CA 120.324 -0.55 . . . . 2.3900000000000001 110.733 -176.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.427 ' H ' HD22 ' B' ' 90' ' ' LEU . 9.1 p30 -104.22 115.6 30.68 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.478 0.656 . . . . 3.25 110.233 177.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 70.6 mt -108.9 95.15 3.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 108.919 -0.771 . . . . 2.77 108.919 174.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 14.8 m120 67.63 -83.07 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.356 -0.838 . . . . 3.8399999999999999 110.409 -176.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -136.71 25.61 3.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.946 0.403 . . . . 4.7599999999999998 110.528 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 43.5 t -123.61 114.15 19.63 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.452 -0.574 . . . . 3.3300000000000001 109.452 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 42.2 t -112.64 123.17 68.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.054 -0.521 . . . . 2.3799999999999999 110.214 -179.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . 0.441 ' O ' HG22 ' B' ' 42' ' ' VAL . 41.5 p90 -150.19 152.44 34.64 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.294 -0.412 . . . . 4.1299999999999999 110.523 179.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.7 146.92 36.67 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.408 -0.59 . . . . 4.8399999999999999 109.408 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.08 1.6 2.48 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.931 -0.308 . . . . 4.5599999999999996 111.434 -178.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' TYR . . . . . 0.491 ' CD1' ' HA2' ' B' ' 23' ' ' GLY . 7.0 m-85 68.15 176.44 0.26 Allowed 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.736 0.648 . . . . 2.4500000000000002 111.177 178.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -127.46 124.95 39.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.229 -0.441 . . . . 1.1599999999999999 110.562 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -84.23 108.37 17.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.682 0.277 . . . . 3.5600000000000001 110.595 -177.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -123.48 136.72 54.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.365 -0.379 . . . . 1.49 110.443 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.439 HG22 ' HB2' ' B' ' 17' ' ' SER . 32.0 m -116.93 110.26 18.09 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.091 -0.504 . . . . 1.0700000000000001 109.723 178.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -104.25 146.26 29.04 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.227 -0.442 . . . . 2.48 110.571 -173.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' CYS . . . . . 0.551 ' SG ' HG23 ' B' ' 82' ' ' THR . 73.0 m -72.37 121.95 20.38 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.191 -0.459 . . . . 1.73 110.329 177.028 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -78.71 85.98 4.7 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.481 -0.563 . . . . 3.4900000000000002 109.481 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . 72.91 139.94 0.06 Allowed 'General case' 0 N--CA 1.464 0.256 0 O-C-N 124.206 0.941 . . . . 2.5800000000000001 110.315 -171.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 45.9 m -76.23 -4.46 42.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.127 -0.488 . . . . 2.7599999999999998 112.098 -174.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -148.85 105.37 3.42 Favored Pre-proline 0 C--O 1.234 0.248 0 CA-C-N 116.378 -0.373 . . . . 2.5899999999999999 110.084 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -64.01 -34.6 58.32 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.225 1.95 . . . . 2.5699999999999998 111.491 175.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 28.3 m -121.39 154.75 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.907 -0.588 . . . . 2.5299999999999998 109.567 176.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -78.93 64.57 3.91 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.357 0.599 . . . . 4.2000000000000002 110.827 -176.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 73.4 p -177.6 -28.05 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.168 -0.924 . . . . 3.8999999999999999 109.404 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.452 ' CA ' ' HB2' ' B' ' 78' ' ' SER . . . 161.95 -114.44 0.61 Allowed Glycine 0 N--CA 1.44 -1.073 0 CA-C-N 115.519 -0.764 . . . . 2.6000000000000001 112.03 179.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 73.8 m -116.9 166.08 12.58 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.15 -0.315 . . . . 1.74 110.15 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 33.3 mtm180 -72.63 131.96 43.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.618 -0.265 . . . . 3.9500000000000002 110.421 -178.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 94.65 -34.02 4.99 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.855 -0.688 . . . . 1.6000000000000001 112.296 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 49.2 mm -64.55 132.39 30.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.902 0.382 . . . . 1.6499999999999999 111.653 -177.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -67.53 105.86 1.97 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.671 -0.695 . . . . 3.3199999999999998 109.372 173.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.479 ' HA ' ' O ' ' B' ' 76' ' ' TRP . 20.1 m -79.33 1.58 24.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.06 -0.518 . . . . 4.6299999999999999 111.772 -173.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -90.48 -41.18 11.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.349 0.595 . . . . 3.0600000000000001 109.49 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 30.9 m-70 -86.35 -31.53 21.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.378 -0.828 . . . . 3.5099999999999998 111.12 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' TRP . . . . . 0.479 ' O ' ' HA ' ' B' ' 73' ' ' SER . 84.6 m95 -137.1 130.79 31.75 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.87 0.322 . . . . 3.1699999999999999 111.87 -174.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' ASN . . . . . 0.575 ' HB3' ' O ' ' B' ' 113' ' ' SER . 28.1 t-20 -92.54 135.22 34.26 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 107.416 -1.327 . . . . 2.7000000000000002 107.416 167.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.8 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 0.9 OUTLIER -111.39 151.1 28.87 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.167 0.508 . . . . 1.9299999999999999 111.767 -170.473 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -147.3 133.9 19.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.383 -0.826 . . . . 3.73 109.221 177.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.465 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 34.7 m -81.32 123.26 28.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.833 0.349 . . . . 1.6699999999999999 110.388 -178.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 26.3 m -127.91 129.36 46.72 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.206 -0.452 . . . . 2.25 110.014 -177.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.551 HG23 ' SG ' ' B' ' 58' ' ' CYS . 1.2 p -80.37 133.91 35.97 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.967 0.413 . . . . 2.7799999999999998 111.466 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 7.1 p -76.65 137.73 39.61 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 121.215 0.531 . . . . 2.6899999999999999 110.842 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -103.57 120.3 40.6 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.209 -0.905 . . . . 3.71 110.937 -172.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.563 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 13.5 t -126.28 161.91 26.69 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.568 -0.531 . . . . 1.48 109.568 176.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -110.42 119.58 39.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.816 0.341 . . . . 1.75 110.484 -177.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 18.7 m -113.75 153.57 15.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.116 -0.493 . . . . 1.0800000000000001 111.351 -178.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . 0.454 ' HG2' ' CE2' ' B' ' 101' ' ' PHE . 89.1 mttt -80.03 105.81 11.58 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.29 -0.868 . . . . 3.8199999999999998 110.179 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.77 144.38 51.09 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.141 -0.481 . . . . 1.1299999999999999 110.523 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.427 HD22 ' H ' ' B' ' 43' ' ' ASN . 29.3 tp -80.95 133.1 35.46 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.164 -0.68 . . . . 1.45 109.164 178.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 66.8 p -129.31 160.44 33.01 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.936 -0.394 . . . . 1.1499999999999999 109.936 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.428 ' CG2' ' HB ' ' B' ' 37' ' ' THR . 4.9 t -99.52 110.47 22.93 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.435 0.636 . . . . 1.3200000000000001 109.393 175.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -69.16 -34.32 74.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.438 -0.801 . . . . 2.46 109.817 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -175.81 -72.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.235 -0.893 . . . . 3.0899999999999999 109.062 176.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . 0.432 ' HB2' ' NE2' ' B' ' 96' ' ' GLN . 52.8 mttp -109.58 -23.33 11.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.856 -0.611 . . . . 3.2999999999999998 109.848 174.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' GLN . . . . . 0.432 ' NE2' ' HB2' ' B' ' 95' ' ' LYS . 22.2 mp0 -104.07 152.01 22.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.644 -0.707 . . . . 2.7400000000000002 110.495 -176.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -98.98 125.27 44.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.056 -0.52 . . . . 1.4399999999999999 110.092 176.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -128.83 142.0 51.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.167 -0.47 . . . . 1.3899999999999999 110.528 -177.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 83.6 m95 -77.56 126.72 31.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.217 -0.447 . . . . 2.3500000000000001 110.496 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -123.13 172.13 8.8 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.04 -0.527 . . . . 3.48 110.256 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.454 ' CE2' ' HG2' ' B' ' 88' ' ' LYS . 89.9 m-85 -113.38 106.48 14.63 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.407 -0.96 . . . . 1.98 108.407 177.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 39.7 pt -111.89 143.95 20.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.221 0.534 . . . . 0.85999999999999999 111.306 -169.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.563 ' HA ' ' O ' ' B' ' 85' ' ' THR . 37.9 ptt180 -77.48 124.04 27.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.074 -0.966 . . . . 3.7200000000000002 110.34 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 45.3 pt -123.28 151.9 27.95 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-N 116.026 -0.534 . . . . 0.82999999999999996 110.27 174.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . 0.411 ' HB3' ' HB ' ' B' ' 82' ' ' THR . 15.1 m-20 -78.94 100.59 7.32 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.401 -0.962 . . . . 1.6899999999999999 108.401 175.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . 0.474 ' OG1' HG21 ' A' ' 106' ' ' THR . 9.0 t -94.17 -18.83 21.33 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 112.349 0.5 . . . . 2.29 112.349 -169.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . 0.416 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -160.81 172.05 17.71 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.912 -0.403 . . . . 1.1499999999999999 109.912 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . 0.465 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 51.1 t -125.44 119.94 29.63 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.872 0.368 . . . . 1.5600000000000001 110.205 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 20.9 m -112.45 175.83 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.048 -0.524 . . . . 1.0800000000000001 109.747 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.8 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 42.4 t -124.85 117.72 24.76 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 110.028 -0.36 . . . . 1.45 110.028 -179.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' B' ' 78' ' ' SER . 23.7 m -85.64 148.26 4.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.56 -0.533 . . . . 1.52 109.56 178.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.405 ' HB3' ' HB3' ' B' ' 76' ' ' TRP . 65.0 mt -119.38 136.77 54.13 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.851 -0.34 . . . . 1.6699999999999999 110.836 -177.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.575 ' O ' ' HB3' ' B' ' 77' ' ' ASN . 32.5 p -178.76 99.01 0.03 OUTLIER 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 116.109 -0.496 . . . . 2.6200000000000001 110.804 176.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' ARG . . . . . 0.403 ' N ' ' H ' ' B' ' 77' ' ' ASN . 26.4 tpt180 -99.93 -40.64 7.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.927 0.87 . . . . 6.7199999999999998 108.746 167.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -123.62 143.41 50.25 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.176 -1.374 . . . . 4.5899999999999999 109.286 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -125.81 126.43 44.51 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.776 0.322 . . . . 4.5 110.907 -177.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 40.0 p -88.61 -178.4 5.8 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.918 -0.583 . . . . 5.7400000000000002 109.703 175.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 . . . . . 0 C--O 1.252 1.219 0 CA-C-O 119.176 -0.44 . . . . 8.6799999999999997 110.195 -178.745 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.5 t . . . . . 0 N--CA 1.474 0.769 0 CA-C-O 120.929 0.395 . . . . 13.98 110.086 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 p -94.0 -46.66 7.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.259 -0.428 . . . . 12.75 110.505 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.2 p -73.52 120.09 18.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.076 -0.511 . . . . 11.35 110.461 178.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -129.84 97.53 23.72 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.055 -0.521 . . . . 10.279999999999999 111.338 -176.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -71.89 69.03 3.04 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.855 2.37 . . . . 7.6299999999999999 112.015 176.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.616 ' HA ' ' SD ' ' A' ' 9' ' ' MET . 61.2 t 74.63 -29.56 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 123.548 0.739 . . . . 6.6500000000000004 112.35 177.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -55.13 -64.37 0.86 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.503 -0.317 . . . . 7.2699999999999996 110.671 -177.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -85.32 63.05 7.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.402 0.62 . . . . 7.7199999999999998 110.447 178.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.616 ' SD ' ' HA ' ' A' ' 6' ' ' VAL . 80.6 mtp -132.19 13.39 4.67 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.534 -0.757 . . . . 5.3399999999999999 109.199 172.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -177.52 -79.12 0.05 OUTLIER Glycine 0 N--CA 1.442 -0.907 0 CA-C-N 114.993 -1.003 . . . . 3.98 111.426 -177.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 59.07 18.86 6.73 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 122.748 0.419 . . . . 4.6299999999999999 111.438 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -81.13 83.03 6.88 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.761 -0.459 . . . . 3.6499999999999999 109.761 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.1 p -60.18 132.89 55.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.984 -0.553 . . . . 2.4199999999999999 110.555 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.5 m -57.03 -25.04 21.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 115.664 -0.698 . . . . 1.4099999999999999 111.52 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.451 ' HA ' ' HG3' ' A' ' 63' ' ' PRO . 46.7 t -131.72 137.95 48.45 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.448 -0.575 . . . . 1.75 109.448 175.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -70.57 116.05 10.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.194 0.521 . . . . 2.8700000000000001 110.229 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.0 m -121.15 135.33 55.18 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.964 -0.562 . . . . 1.72 110.785 -176.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 56' ' ' THR . 7.4 p -109.39 117.1 53.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.946 0.403 . . . . 1.51 110.366 178.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.463 ' HB2' ' CE2' ' A' ' 54' ' ' PHE . 29.1 p -100.06 121.57 41.6 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.254 -0.43 . . . . 1.6599999999999999 110.396 -179.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.6 t -119.86 138.01 51.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.42 -0.355 . . . . 1.03 110.929 -177.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -97.5 95.84 7.92 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.635 -0.876 . . . . 1.6100000000000001 108.635 171.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.471 HG12 ' H ' ' A' ' 24' ' ' ASP . 49.0 t -82.84 115.86 26.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.823 -0.626 . . . . 0.95999999999999996 110.949 -174.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -97.66 14.41 63.11 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.703 -0.761 . . . . 1.27 111.934 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.471 ' H ' HG12 ' A' ' 22' ' ' VAL . 36.6 t70 -159.19 76.7 0.71 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.166 0.508 . . . . 3.02 110.472 179.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.675 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 59.1 tttp -99.84 110.61 22.97 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.593 -0.892 . . . . 1.3200000000000001 108.593 173.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.435 ' O ' ' HA ' ' A' ' 37' ' ' THR . 14.7 t -82.47 -29.95 30.27 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.185 0.439 . . . . 1.8200000000000001 112.185 -170.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.9 p -140.96 145.32 35.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.22 0.533 . . . . 1.01 112.015 -176.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.34 162.49 38.06 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.704 -0.68 . . . . 0.79000000000000004 110.012 175.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.4 m -95.07 118.75 32.4 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 116.171 -0.468 . . . . 1.02 110.565 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -65.99 157.9 29.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.02 -0.991 . . . . 1.8500000000000001 108.958 175.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.3 tt -62.38 -20.19 24.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.254 0.55 . . . . 1.3300000000000001 110.467 178.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -75.25 -8.72 57.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.649 -0.705 . . . . 2.2200000000000002 110.495 176.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.83 17.74 55.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.165 -0.54 . . . . 1.25 111.799 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -103.24 159.16 15.8 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.616 0.246 . . . . 2.1400000000000001 110.746 -177.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -99.2 116.7 32.01 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.887 -0.412 . . . . 2.1899999999999999 109.887 178.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.3 m -117.97 154.59 19.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.23 -0.441 . . . . 1.02 111.186 -177.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 26' ' ' THR . 36.0 m -89.01 115.86 26.88 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.658 -0.701 . . . . 1.04 110.28 -179.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.675 ' HB ' ' O ' ' A' ' 25' ' ' LYS . 39.7 t -86.07 140.09 16.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.214 -0.448 . . . . 1.1000000000000001 110.65 -174.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 46.8 mt -109.28 121.76 45.88 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.851 -0.426 . . . . 1.9099999999999999 109.851 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.401 ' O ' ' HA ' ' A' ' 50' ' ' ARG . . . -75.58 -32.38 60.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.321 0.581 . . . . 2.1800000000000002 109.874 177.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -106.25 115.35 30.06 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.042 -0.981 . . . . 3.5899999999999999 108.603 175.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 16.9 m -96.97 126.64 49.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.299 0.571 . . . . 2.3999999999999999 110.844 -175.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -103.71 99.67 9.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.645 -0.707 . . . . 3.25 109.482 178.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 53.5 mt -95.81 -78.47 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.968 -0.293 . . . . 2.77 111.185 -176.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -123.91 65.59 1.04 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.555 -0.535 . . . . 3.8399999999999999 109.555 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 61.23 24.11 14.25 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.367 -0.833 . . . . 4.7599999999999998 110.36 -175.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.3 m -124.57 114.98 20.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.257 -0.883 . . . . 3.3300000000000001 108.643 178.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.499 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 26.3 t -98.5 113.03 32.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 120.919 0.39 . . . . 2.3700000000000001 110.788 -176.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.431 ' O ' HG22 ' A' ' 42' ' ' VAL . 95.0 m-85 -113.62 151.93 31.05 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.86 -0.609 . . . . 4.1299999999999999 109.406 177.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 3.1 ptp180 -124.89 153.53 42.49 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.074 0.464 . . . . 4.8399999999999999 111.031 -177.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.495 ' HB3' ' HD3' ' B' ' 88' ' ' LYS . 8.6 pt20 -142.37 133.83 26.5 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.51 -0.768 . . . . 4.5599999999999996 110.457 177.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -91.86 123.77 35.48 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.16 -0.682 . . . . 2.46 109.16 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -80.75 113.67 19.11 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.075 0.464 . . . . 1.1599999999999999 110.289 -175.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.463 ' CE2' ' HB2' ' A' ' 19' ' ' SER . 90.7 t80 -83.35 98.55 9.52 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.405 -0.816 . . . . 3.5600000000000001 109.893 -176.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.562 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 29.8 mt-10 -111.16 117.36 33.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.783 -0.644 . . . . 1.49 110.072 -178.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.528 ' HB ' ' HA ' ' A' ' 107' ' ' ALA . 34.6 m -104.34 118.11 35.83 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.133 -0.485 . . . . 1.0700000000000001 109.995 176.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -112.02 156.01 22.86 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.019 -0.537 . . . . 2.48 110.856 -175.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 62.8 m -80.55 122.75 27.43 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.721 -0.672 . . . . 1.73 110.159 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.421 ' O ' ' HB3' ' A' ' 60' ' ' ALA . 81.7 mtp180 -82.01 82.78 7.49 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.982 -0.747 . . . . 3.48 108.982 175.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 59' ' ' ARG . . . 76.31 131.35 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 O-C-N 124.383 1.052 . . . . 2.5800000000000001 110.033 -172.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.4 p -65.42 -19.68 66.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.74 -0.664 . . . . 2.7599999999999998 111.839 -175.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -137.67 88.8 15.99 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.022 -0.536 . . . . 2.5899999999999999 109.698 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.451 ' HG3' ' HA ' ' A' ' 15' ' ' CYS . 9.2 Cg_endo -54.3 -38.91 88.78 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.835 2.357 . . . . 2.5699999999999998 112.442 -178.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.2 m -118.62 157.12 20.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.887 -0.412 . . . . 2.5299999999999998 109.887 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -79.43 71.52 6.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.27 0.557 . . . . 4.1900000000000004 110.288 -177.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.7 t 175.69 -25.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.689 -1.141 . . . . 3.8999999999999999 108.772 -178.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.85 -109.42 0.46 Allowed Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.381 -0.827 . . . . 2.6000000000000001 111.412 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 72.8 m -110.71 167.53 10.16 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.661 0.267 . . . . 1.73 110.517 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 45.5 mtt180 -68.39 127.09 31.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.185 -0.462 . . . . 3.9399999999999999 109.976 -178.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.59 -22.73 39.45 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.925 -0.655 . . . . 1.6100000000000001 112.163 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 40.6 mm -81.05 117.47 27.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-O 120.999 0.428 . . . . 1.6499999999999999 110.663 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -146.62 96.53 2.77 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.873 -0.603 . . . . 3.3199999999999998 109.955 176.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.502 ' HB3' ' HB2' ' A' ' 76' ' ' TRP . 45.8 t -155.42 145.41 21.57 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.003 -0.544 . . . . 4.6299999999999999 110.103 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -74.58 -11.15 60.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.499 -0.773 . . . . 3.0600000000000001 110.952 -177.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.413 ' O ' ' HD2' ' A' ' 114' ' ' ARG . 53.0 m80 -123.59 19.63 9.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.138 -0.483 . . . . 3.5099999999999998 111.679 -179.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.502 ' HB2' ' HB3' ' A' ' 73' ' ' SER . 46.7 m95 -136.98 117.17 13.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.086 0.469 . . . . 3.1699999999999999 110.978 175.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -113.95 133.57 55.39 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.291 -1.004 . . . . 2.6899999999999999 108.291 171.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.462 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 1.3 m -101.98 144.91 30.0 Favored 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 120.694 -0.403 . . . . 1.9299999999999999 111.128 -174.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -139.21 135.44 33.96 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.539 -0.541 . . . . 3.73 109.539 170.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.694 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 65.5 m -88.66 129.58 35.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.73 -0.668 . . . . 1.6699999999999999 110.363 -178.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.432 ' O ' HG22 ' A' ' 109' ' ' VAL . 60.5 m -135.22 132.8 38.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.179 -0.464 . . . . 2.2400000000000002 110.131 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.3 p -80.71 132.68 35.58 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.131 0.491 . . . . 2.7799999999999998 111.194 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.1 m -76.79 126.65 31.35 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.726 -0.67 . . . . 2.6899999999999999 109.852 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.503 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 75.5 m80 -106.66 121.74 44.95 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.298 -0.41 . . . . 3.71 110.255 -179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.631 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 6.5 t -112.42 160.44 17.73 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.428 -0.582 . . . . 1.48 109.428 177.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.444 ' CE2' ' HB3' ' A' ' 103' ' ' ARG . 78.9 m-85 -108.31 115.55 30.32 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.911 0.386 . . . . 1.75 110.36 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.7 m -116.41 134.65 59.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.917 -0.583 . . . . 1.0800000000000001 110.375 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.563 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 5.2 ptmm? -80.61 94.98 6.41 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.509 0.671 . . . . 3.8199999999999998 110.958 178.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -111.26 155.06 23.56 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.081 -0.963 . . . . 1.1299999999999999 109.468 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.5 tp -72.78 104.62 4.04 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.184 0.516 . . . . 1.45 109.94 -177.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.497 HG22 ' HA ' ' A' ' 38' ' ' VAL . 43.8 p -122.34 156.84 33.08 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.033 -0.728 . . . . 1.1399999999999999 109.033 178.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.4 t -111.29 119.81 40.14 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.436 0.636 . . . . 1.3200000000000001 110.399 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -69.94 -29.44 66.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.103 -0.953 . . . . 2.4700000000000002 110.512 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -170.7 -72.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.992 -0.549 . . . . 3.0899999999999999 109.881 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -112.99 -26.94 8.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.82 0.343 . . . . 3.29 110.97 177.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -92.25 138.93 31.11 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.394 -0.366 . . . . 2.7400000000000002 110.688 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.22 127.44 47.8 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.323 -0.621 . . . . 1.4399999999999999 109.323 172.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -146.23 151.3 37.37 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.723 0.297 . . . . 1.3799999999999999 110.672 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -76.4 91.84 3.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.079 -0.51 . . . . 2.3500000000000001 110.243 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.563 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 36.6 mmt180 -95.26 147.32 23.6 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.871 -0.604 . . . . 3.48 110.075 -176.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -81.71 105.23 12.68 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.087 -0.506 . . . . 1.98 109.761 177.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 36.3 pt -113.41 146.87 17.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.317 -0.401 . . . . 0.85999999999999999 110.836 -176.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.631 ' HA ' ' O ' ' A' ' 85' ' ' THR . 38.2 ptt180 -84.25 124.92 31.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.666 -0.697 . . . . 3.71 111.151 -177.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.503 ' O ' ' HA ' ' A' ' 84' ' ' HIS . 40.4 pt -123.71 152.43 28.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.909 -0.587 . . . . 0.82999999999999996 110.78 176.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.562 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 4.4 m-20 -83.1 110.58 18.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.716 -0.675 . . . . 1.6899999999999999 109.743 178.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.511 ' HB ' ' HB ' ' B' ' 106' ' ' THR . 24.5 p -90.49 -44.06 9.84 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.144 0.424 . . . . 2.29 112.144 -175.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.528 ' HA ' ' HB ' ' A' ' 56' ' ' THR . . . -155.74 155.54 33.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.433 -0.348 . . . . 1.1399999999999999 110.652 -177.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.694 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 42.4 t -100.31 113.69 26.59 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.363 -0.606 . . . . 1.5600000000000001 109.363 176.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 81' ' ' THR . 18.2 m -102.79 146.37 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.972 0.415 . . . . 1.0700000000000001 110.627 -176.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.462 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 41.7 t -96.43 115.89 28.16 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.867 -0.606 . . . . 1.45 109.453 176.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 9.6 m -115.43 145.54 21.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 116.312 -0.403 . . . . 1.52 110.024 178.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 61.6 mt -101.25 156.45 17.43 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.281 0.562 . . . . 1.6699999999999999 110.916 -174.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.5 p -127.97 139.51 52.53 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.136 -0.938 . . . . 2.6200000000000001 108.786 173.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.612 ' HB3' ' O ' ' A' ' 117' ' ' THR . 28.3 tpt180 -77.8 -5.34 50.48 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.946 0.403 . . . . 6.7300000000000004 110.762 -173.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp 71.74 -71.6 0.13 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.506 -0.77 . . . . 4.5899999999999999 111.781 174.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.94 -38.81 52.62 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.106 0.479 . . . . 4.5 110.598 -177.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.612 ' O ' ' HB3' ' A' ' 114' ' ' ARG . 14.2 p -127.6 -172.56 2.7 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.869 -0.605 . . . . 5.7400000000000002 110.586 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? . . . . . 0 C--O 1.244 0.782 0 N-CA-C 108.778 -0.823 . . . . 8.6699999999999999 108.778 176.547 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 40.3 t . . . . . 0 N--CA 1.478 0.974 0 CA-C-O 120.947 0.403 . . . . 13.98 110.141 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.3 p -93.36 -46.48 7.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.254 -0.43 . . . . 12.76 110.529 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 1.9 p -73.84 119.29 17.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.964 -0.562 . . . . 11.359999999999999 110.654 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 -129.16 97.41 26.07 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.04 -0.527 . . . . 10.289999999999999 111.435 -175.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -72.03 69.05 3.14 Favored 'Trans proline' 0 CA--C 1.53 0.287 0 C-N-CA 122.867 2.378 . . . . 7.6299999999999999 111.915 176.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . 0.615 ' HA ' ' SD ' ' B' ' 9' ' ' MET . 58.4 t 74.91 -29.76 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 123.392 0.677 . . . . 6.6500000000000004 112.292 177.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -54.96 -64.41 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.549 -0.296 . . . . 7.2699999999999996 110.812 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -85.29 62.71 7.66 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.403 0.62 . . . . 7.7199999999999998 110.294 178.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . 0.615 ' SD ' ' HA ' ' B' ' 6' ' ' VAL . 81.5 mtp -132.12 13.28 4.7 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.636 -0.711 . . . . 5.3399999999999999 109.095 173.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -177.6 -79.18 0.06 OUTLIER Glycine 0 N--CA 1.443 -0.854 0 CA-C-N 114.96 -1.018 . . . . 3.98 111.455 -177.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 59.35 18.31 6.63 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 122.699 0.4 . . . . 4.6200000000000001 111.519 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -80.72 82.97 6.58 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.676 -0.49 . . . . 3.6499999999999999 109.676 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 10.9 p -60.05 132.88 55.3 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.032 -0.531 . . . . 2.4199999999999999 110.508 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.1 m -57.18 -25.02 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.14 0 CA-C-N 115.661 -0.7 . . . . 1.4099999999999999 111.524 -178.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.441 ' HA ' ' HG3' ' B' ' 63' ' ' PRO . 45.3 t -131.65 137.89 48.52 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.391 -0.596 . . . . 1.75 109.391 175.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -70.02 116.01 9.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.117 0.484 . . . . 2.8700000000000001 110.182 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 19.4 m -120.94 135.93 55.08 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.042 -0.527 . . . . 1.72 110.733 -176.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' B' ' 56' ' ' THR . 7.6 p -109.97 117.07 53.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.131 0.491 . . . . 1.51 110.343 178.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.451 ' HB2' ' CE2' ' B' ' 54' ' ' PHE . 25.5 p -100.3 121.11 40.97 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.155 -0.475 . . . . 1.6599999999999999 110.51 -179.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 44.7 t -119.78 138.06 51.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.765 0.317 . . . . 1.03 110.874 -177.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -97.54 95.93 7.96 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.594 -0.891 . . . . 1.6100000000000001 108.594 171.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.489 HG12 ' H ' ' B' ' 24' ' ' ASP . 48.8 t -82.76 116.02 26.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.907 -0.588 . . . . 0.95999999999999996 110.939 -174.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -97.83 14.67 62.68 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.695 -0.764 . . . . 1.27 112.015 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.489 ' H ' HG12 ' B' ' 22' ' ' VAL . 36.7 t70 -159.51 76.43 0.67 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.245 0.545 . . . . 3.0099999999999998 110.52 178.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.657 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 59.0 tttp -99.36 111.45 23.81 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.581 -0.896 . . . . 1.3200000000000001 108.581 173.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.445 ' O ' ' HA ' ' B' ' 37' ' ' THR . 14.5 t -83.2 -29.8 28.26 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 112.263 0.468 . . . . 1.8200000000000001 112.263 -170.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 11.4 p -140.99 145.54 36.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.056 0.455 . . . . 1.0 111.829 -176.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.61 162.63 38.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.699 -0.682 . . . . 0.79000000000000004 109.966 174.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 16.9 m -95.12 118.82 32.58 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.222 -0.444 . . . . 1.01 110.498 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . 0.421 ' OD2' ' HB3' ' B' ' 100' ' ' ARG . 10.5 t70 -65.98 157.56 30.52 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.094 -0.957 . . . . 1.8400000000000001 108.963 175.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 17.5 tt -61.95 -20.41 23.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.13 0.49 . . . . 1.3300000000000001 110.432 178.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -75.02 -8.83 57.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.848 -0.615 . . . . 2.2200000000000002 110.488 176.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.82 17.95 55.42 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.105 -0.569 . . . . 1.25 111.848 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -103.41 159.19 15.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.697 0.284 . . . . 2.1400000000000001 110.69 -176.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -99.33 116.7 32.11 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.857 -0.423 . . . . 2.1899999999999999 109.857 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 31.6 m -117.86 154.58 19.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 120.943 0.401 . . . . 1.01 111.268 -177.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' B' ' 26' ' ' THR . 29.7 m -88.65 115.98 26.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.646 -0.707 . . . . 1.04 110.293 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.657 ' HB ' ' O ' ' B' ' 25' ' ' LYS . 39.6 t -86.25 140.15 16.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.29 -0.414 . . . . 1.1000000000000001 110.667 -174.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 47.1 mt -109.36 121.5 45.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.192 -0.458 . . . . 1.9099999999999999 109.917 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.42 -32.03 60.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.214 0.531 . . . . 2.1800000000000002 109.936 177.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -106.67 115.31 29.99 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.395 -0.965 . . . . 3.5899999999999999 108.395 176.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.493 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 17.1 m -96.9 126.5 49.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.282 0.563 . . . . 2.3900000000000001 110.901 -175.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -103.3 99.48 9.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.742 -0.663 . . . . 3.25 109.656 178.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 54.2 mt -95.65 -78.34 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.756 -0.378 . . . . 2.77 110.982 -176.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -124.08 65.78 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.366 -0.605 . . . . 3.8399999999999999 109.366 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 60.87 24.27 14.26 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.528 -0.76 . . . . 4.7599999999999998 110.416 -175.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 13.2 m -124.86 114.93 19.86 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.117 -0.947 . . . . 3.3300000000000001 108.588 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 26.3 t -98.62 113.28 32.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.062 0.458 . . . . 2.3799999999999999 110.635 -177.018 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . 0.417 ' O ' HG22 ' B' ' 42' ' ' VAL . 94.9 m-85 -113.63 151.99 30.99 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.619 -0.719 . . . . 4.1299999999999999 109.36 177.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -124.92 153.46 42.64 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.99 0.424 . . . . 4.8399999999999999 111.191 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.492 ' HB3' ' HD3' ' A' ' 88' ' ' LYS . 8.6 pt20 -142.33 133.95 26.74 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.666 -0.697 . . . . 4.5599999999999996 110.457 177.007 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -91.97 123.77 35.58 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 109.147 -0.686 . . . . 2.4500000000000002 109.147 178.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -80.72 113.54 18.99 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.147 0.499 . . . . 1.1599999999999999 110.368 -175.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . 0.451 ' CE2' ' HB2' ' B' ' 19' ' ' SER . 90.6 t80 -83.26 98.56 9.47 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.408 -0.815 . . . . 3.5600000000000001 109.895 -176.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . 0.566 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 30.3 mt-10 -111.18 117.17 32.48 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.769 -0.651 . . . . 1.49 110.175 -178.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.498 ' HB ' ' HA ' ' B' ' 107' ' ' ALA . 35.7 m -104.45 118.09 35.76 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.255 -0.43 . . . . 1.0700000000000001 109.981 177.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -111.93 156.23 22.41 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.117 -0.492 . . . . 2.48 110.853 -175.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 63.3 m -80.89 122.14 26.85 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.576 -0.738 . . . . 1.73 110.278 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . 0.428 ' O ' ' HB3' ' B' ' 60' ' ' ALA . 81.6 mtp180 -81.49 82.68 7.2 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.081 -0.711 . . . . 3.4900000000000002 109.081 175.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' B' ' 59' ' ' ARG . . . 76.45 131.54 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.304 0 O-C-N 124.522 1.139 . . . . 2.5800000000000001 110.086 -172.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 29.9 p -65.65 -19.62 65.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.852 -0.613 . . . . 2.7599999999999998 111.802 -175.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -137.69 88.84 15.93 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.032 -0.531 . . . . 2.5899999999999999 109.763 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . 0.441 ' HG3' ' HA ' ' B' ' 15' ' ' CYS . 9.3 Cg_endo -54.51 -38.34 90.11 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.813 2.342 . . . . 2.5699999999999998 112.532 -178.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 35.3 m -119.07 157.1 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.717 -0.475 . . . . 2.5299999999999998 109.717 177.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -79.24 72.36 5.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.166 0.507 . . . . 4.2000000000000002 110.27 -177.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 22.8 t 174.7 -25.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.856 -1.065 . . . . 3.8999999999999999 108.698 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.79 -109.49 0.47 Allowed Glycine 0 N--CA 1.445 -0.764 0 CA-C-N 115.387 -0.824 . . . . 2.6000000000000001 111.455 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 72.5 m -110.55 167.63 10.07 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.681 0.277 . . . . 1.74 110.392 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' B' ' 69' ' ' ARG . 45.4 mtt180 -68.34 127.25 32.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 3.9500000000000002 110.083 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.11 -22.44 40.88 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.844 -0.693 . . . . 1.6000000000000001 112.216 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 40.9 mm -81.42 117.21 27.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.853 0.359 . . . . 1.6499999999999999 110.608 -179.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -146.63 96.92 2.84 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.818 -0.628 . . . . 3.3199999999999998 109.876 176.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.488 ' HB3' ' HB2' ' B' ' 76' ' ' TRP . 46.2 t -155.76 145.39 21.12 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.093 -0.503 . . . . 4.6299999999999999 109.87 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -74.08 -12.22 60.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.473 -0.785 . . . . 3.0600000000000001 110.826 -176.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . 0.407 ' O ' ' HD2' ' B' ' 114' ' ' ARG . 52.8 m80 -122.88 19.71 10.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.356 -0.384 . . . . 3.5099999999999998 111.604 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' TRP . . . . . 0.488 ' HB2' ' HB3' ' B' ' 73' ' ' SER . 47.2 m95 -136.75 117.09 13.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.899 0.38 . . . . 3.1699999999999999 111.088 175.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -113.81 133.82 55.16 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.258 -1.015 . . . . 2.7000000000000002 108.258 171.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.452 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 1.3 m -102.26 145.09 29.94 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.478 -0.489 . . . . 1.9299999999999999 111.036 -174.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -139.29 135.2 33.59 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.662 -0.496 . . . . 3.73 109.662 170.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.688 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 64.1 m -88.21 129.69 35.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.694 -0.685 . . . . 1.6699999999999999 110.527 -178.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.423 ' O ' HG22 ' B' ' 109' ' ' VAL . 56.1 m -135.32 132.92 38.27 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.294 -0.412 . . . . 2.25 110.334 -179.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 20.9 p -80.86 132.5 35.46 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.153 0.501 . . . . 2.7799999999999998 111.41 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 22.6 m -76.67 126.64 31.33 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.785 -0.643 . . . . 2.6899999999999999 109.739 177.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' HIS . . . . . 0.488 ' HA ' ' O ' ' B' ' 104' ' ' ILE . 76.0 m80 -106.76 122.05 45.59 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.288 -0.414 . . . . 3.71 110.144 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.638 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 6.5 t -112.65 160.56 17.77 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.431 -0.581 . . . . 1.48 109.431 177.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.435 ' CE2' ' HB3' ' B' ' 103' ' ' ARG . 78.5 m-85 -108.5 115.59 30.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.0 0.428 . . . . 1.75 110.317 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 23.6 m -116.47 134.5 59.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.865 -0.607 . . . . 1.0800000000000001 110.418 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . 0.573 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 5.2 ptmm? -80.43 95.23 6.37 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.523 0.677 . . . . 3.8199999999999998 110.833 178.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -111.54 155.09 23.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.075 -0.966 . . . . 1.1299999999999999 109.432 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 18.5 tp -72.6 104.52 3.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.064 0.459 . . . . 1.45 109.862 -177.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . 0.507 HG22 ' HA ' ' B' ' 38' ' ' VAL . 43.7 p -122.45 157.02 32.84 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.079 -0.711 . . . . 1.1499999999999999 109.079 178.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 10.2 t -111.58 119.32 38.31 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.623 0.725 . . . . 1.3200000000000001 110.6 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -69.63 -29.42 66.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.299 -0.864 . . . . 2.46 110.381 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -170.95 -71.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.975 -0.557 . . . . 3.0899999999999999 110.011 178.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -113.62 -26.11 8.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.819 0.343 . . . . 3.2999999999999998 110.923 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -93.12 138.98 31.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.385 -0.37 . . . . 2.7400000000000002 110.492 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -101.27 127.62 47.79 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.179 -0.674 . . . . 1.4399999999999999 109.179 172.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -146.37 151.36 37.34 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.769 0.318 . . . . 1.3899999999999999 110.639 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 75.0 m95 -76.47 92.36 3.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.119 -0.491 . . . . 2.3500000000000001 110.045 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' ARG . . . . . 0.573 ' O ' ' HA ' ' B' ' 88' ' ' LYS . 36.6 mmt180 -95.63 147.18 23.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.709 -0.678 . . . . 3.48 110.027 -177.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -81.71 105.48 12.88 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.631 -0.507 . . . . 1.98 109.631 177.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 36.2 pt -113.5 146.94 17.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.217 -0.447 . . . . 0.85999999999999999 110.908 -176.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.638 ' HA ' ' O ' ' B' ' 85' ' ' THR . 38.3 ptt180 -84.28 124.65 31.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.694 -0.685 . . . . 3.7200000000000002 111.319 -177.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' ILE . . . . . 0.488 ' O ' ' HA ' ' B' ' 84' ' ' HIS . 40.5 pt -123.64 152.34 28.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.036 -0.529 . . . . 0.82999999999999996 110.783 176.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . 0.566 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 4.3 m-20 -82.99 110.67 18.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.587 -0.733 . . . . 1.6899999999999999 109.851 178.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . 0.511 ' HB ' ' HB ' ' A' ' 106' ' ' THR . 24.4 p -90.42 -43.98 9.93 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.074 0.398 . . . . 2.29 112.074 -175.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . 0.498 ' HA ' ' HB ' ' B' ' 56' ' ' THR . . . -155.89 155.5 32.99 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.553 -0.294 . . . . 1.1499999999999999 110.686 -177.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . 0.688 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 42.1 t -100.38 113.36 26.05 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.406 -0.59 . . . . 1.5600000000000001 109.406 176.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.423 HG22 ' O ' ' B' ' 81' ' ' THR . 18.2 m -102.58 146.31 10.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.979 0.418 . . . . 1.0800000000000001 110.631 -176.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 41.7 t -96.32 115.97 28.28 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.845 -0.616 . . . . 1.45 109.478 176.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 9.9 m -115.52 145.57 21.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.363 -0.38 . . . . 1.52 110.145 178.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 61.4 mt -101.18 156.28 17.52 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.975 -0.557 . . . . 1.6699999999999999 110.871 -174.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 15.4 p -127.82 139.74 52.46 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.157 -0.928 . . . . 2.6200000000000001 108.768 173.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' ARG . . . . . 0.612 ' HB3' ' O ' ' B' ' 117' ' ' THR . 28.5 tpt180 -78.18 -4.94 50.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.309 -0.405 . . . . 6.7199999999999998 110.656 -173.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp 71.42 -71.66 0.13 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.538 -0.755 . . . . 4.5899999999999999 111.898 174.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.9 -38.22 53.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.989 0.423 . . . . 4.5 110.844 -177.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . 0.612 ' O ' ' HB3' ' B' ' 114' ' ' ARG . 11.8 p -128.3 -172.85 2.8 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.855 -0.611 . . . . 5.7400000000000002 110.395 -179.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? . . . . . 0 C--O 1.247 0.95 0 N-CA-C 108.781 -0.822 . . . . 8.6799999999999997 108.781 176.509 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.478 0.929 0 CA-C-O 120.906 0.384 . . . . 13.98 110.819 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 p -65.89 -47.6 74.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.006 0.431 . . . . 12.75 110.671 -178.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 16.5 p -87.19 103.6 15.57 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.19 -0.459 . . . . 11.35 110.232 176.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -135.18 88.0 27.14 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 121.226 0.536 . . . . 10.279999999999999 111.103 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.406 ' HG2' ' H ' ' A' ' 8' ' ' HIS . 92.0 Cg_endo -84.23 43.5 1.37 Allowed 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.571 2.181 . . . . 7.6299999999999999 111.898 178.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 t 59.4 35.89 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 115.749 -0.66 . . . . 6.6500000000000004 109.949 -178.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.7 t80 55.96 50.09 14.54 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.58 -0.736 . . . . 7.2699999999999996 109.643 -174.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.406 ' H ' ' HG2' ' A' ' 5' ' ' PRO . 44.4 t60 57.33 49.61 12.87 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.308 -0.86 . . . . 7.7199999999999998 109.579 -175.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 56.1 tpp 73.85 -35.25 0.3 Allowed 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.198 -0.91 . . . . 5.3399999999999999 111.01 -176.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.13 -179.37 16.57 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.908 -0.663 . . . . 3.98 112.131 175.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.47 29.08 6.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.393 0.616 . . . . 4.6299999999999999 109.807 176.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -68.21 128.33 36.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.334 -0.848 . . . . 3.6499999999999999 110.365 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.1 t -151.97 161.61 42.37 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.131 -0.486 . . . . 2.4199999999999999 109.876 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 m -75.57 -17.35 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.954 -0.566 . . . . 1.4099999999999999 110.711 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 97.7 m -123.15 124.64 43.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.785 -0.643 . . . . 1.75 109.876 176.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.97 115.49 2.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 2.8700000000000001 110.566 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.5 m -124.96 130.21 51.9 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.129 -0.487 . . . . 1.72 110.415 -177.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' A' ' 56' ' ' THR . 7.1 p -112.47 115.54 50.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.133 0.492 . . . . 1.51 110.716 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 47.9 m -89.87 117.43 28.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.303 -0.408 . . . . 1.6599999999999999 110.067 177.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.2 t -118.97 138.41 49.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.141 -0.482 . . . . 1.03 110.066 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -102.69 95.79 6.45 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.241 -0.652 . . . . 1.6100000000000001 109.241 175.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.0 t -93.69 108.68 20.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.5 -0.773 . . . . 0.95999999999999996 110.487 -175.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.39 11.25 58.24 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.404 -0.903 . . . . 1.27 112.032 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -132.71 29.58 4.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.709 0.29 . . . . 3.02 110.838 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.634 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 85.6 tttt -75.92 108.5 8.84 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.122 -0.695 . . . . 1.3200000000000001 109.122 177.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.1 t -95.05 -7.79 38.58 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.037 0.384 . . . . 1.8200000000000001 112.037 -173.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.4 p -141.54 134.17 28.48 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.723 0.297 . . . . 1.01 110.966 177.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.49 161.26 40.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.184 -0.462 . . . . 0.79000000000000004 110.507 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.0 m -96.34 116.98 29.91 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.175 0.512 . . . . 1.02 110.788 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.409 ' CG ' HH21 ' A' ' 100' ' ' ARG . 20.8 t70 -65.72 164.89 13.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.079 -0.964 . . . . 1.8500000000000001 110.758 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.464 ' HA ' ' CE2' ' A' ' 86' ' ' PHE . 16.0 tt -61.05 -28.89 44.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.671 0.272 . . . . 1.3300000000000001 111.199 -179.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -78.22 -11.45 59.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.454 -0.339 . . . . 2.2200000000000002 110.87 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.57 14.92 36.19 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.753 -0.736 . . . . 1.25 112.565 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -94.3 141.61 28.37 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 110.433 -0.21 . . . . 2.1400000000000001 110.433 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -85.74 115.19 23.25 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.909 -0.775 . . . . 2.1899999999999999 108.909 173.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.0 m -115.54 153.62 17.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.057 -0.52 . . . . 1.02 111.002 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.7 m -88.69 108.63 19.57 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.384 -0.825 . . . . 1.04 110.515 -177.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.634 ' HB ' ' O ' ' A' ' 25' ' ' LYS . 15.6 t -79.4 136.87 22.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.089 -0.708 . . . . 1.1000000000000001 109.089 178.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.0 mt -82.35 2.82 30.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.723 -0.217 . . . . 1.9099999999999999 111.42 -176.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.568 ' H ' HG12 ' A' ' 38' ' ' VAL . . . 69.64 -45.97 0.58 Allowed 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.926 0.89 . . . . 2.1800000000000002 111.677 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -127.09 149.82 49.76 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.386 -0.598 . . . . 3.5899999999999999 109.386 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.7 m -96.85 124.68 49.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.545 -0.539 . . . . 2.3999999999999999 109.545 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -78.43 149.2 33.32 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.519 -0.549 . . . . 3.25 109.519 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.464 ' HB ' ' HB ' ' A' ' 48' ' ' VAL . 14.6 tt -71.45 77.05 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-O 122.061 0.934 . . . . 2.77 112.66 -171.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -90.1 -3.67 57.78 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.71 -1.219 . . . . 3.8399999999999999 107.71 163.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.417 ' HB2' ' HB2' ' B' ' 46' ' ' ASN . 2.7 t-20 -163.98 -46.93 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 113.862 -1.517 . . . . 4.7599999999999998 108.371 176.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.6 p -147.18 159.25 43.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.534 -0.757 . . . . 3.3300000000000001 109.566 177.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.464 ' HB ' ' HB ' ' A' ' 44' ' ' ILE . 4.1 p -123.81 112.62 33.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.473 0.654 . . . . 2.3700000000000001 110.776 177.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -145.8 140.31 27.02 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.472 -0.786 . . . . 4.1299999999999999 110.094 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 50' ' ' ARG . 13.1 ttm180 -78.26 127.89 32.91 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.35 -0.611 . . . . 4.8399999999999999 109.35 173.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.85 90.02 6.89 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.26 -0.427 . . . . 4.5599999999999996 110.46 -175.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -75.38 122.28 23.53 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.233 -0.655 . . . . 2.46 109.233 173.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -96.74 118.84 34.06 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.039 -0.528 . . . . 1.1599999999999999 110.173 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -83.9 93.74 8.09 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.543 0.687 . . . . 3.5600000000000001 109.422 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.455 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 16.6 mt-10 -108.67 107.92 18.57 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.653 -0.703 . . . . 1.49 110.137 -176.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.533 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 42.3 m -96.02 104.66 16.62 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.599 -0.728 . . . . 1.0700000000000001 109.568 176.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -102.75 151.75 22.03 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.561 -0.745 . . . . 2.48 110.331 -174.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.6 t -89.82 125.27 35.26 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.065 -0.516 . . . . 1.73 110.581 -176.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -96.99 16.02 20.71 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.037 -0.529 . . . . 3.48 110.372 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -146.76 172.41 13.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.787 -0.642 . . . . 2.5800000000000001 110.331 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.1 m -140.45 -48.51 0.44 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.457 -0.571 . . . . 2.7599999999999998 109.457 176.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -137.04 89.75 16.44 Favored Pre-proline 0 C--N 1.324 -0.511 0 N-CA-C 108.826 -0.805 . . . . 2.5899999999999999 108.826 173.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -50.03 -31.26 27.16 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 123.456 2.771 . . . . 2.5699999999999998 113.567 -177.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 36.0 m -124.49 -177.95 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.981 -0.287 . . . . 2.5299999999999998 110.542 174.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -46.87 -45.02 20.06 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 113.023 0.749 . . . . 4.1900000000000004 113.023 -175.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.459 ' HB3' ' OG ' ' A' ' 73' ' ' SER . 21.2 t -146.44 54.7 1.13 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.144 0.497 . . . . 3.8999999999999999 110.401 -178.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.87 -156.02 26.84 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.405 -0.902 . . . . 2.6000000000000001 112.617 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 71.7 m -100.55 160.92 13.96 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.316 -0.253 . . . . 1.73 110.316 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 33.8 mtm-85 -67.66 126.48 29.51 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.835 0.35 . . . . 3.9399999999999999 110.8 -177.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.77 -29.76 11.82 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.992 -0.623 . . . . 1.6100000000000001 111.903 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.2 mm -73.43 137.47 23.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 122.63 0.372 . . . . 1.6499999999999999 111.228 -176.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -70.91 96.38 1.27 Allowed 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 116.115 -0.493 . . . . 3.3199999999999998 110.596 175.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.575 ' HA ' ' O ' ' A' ' 76' ' ' TRP . 11.1 t -63.87 -16.29 61.02 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.211 0.529 . . . . 4.6299999999999999 110.635 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -66.05 -28.79 69.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 3.0600000000000001 111.391 176.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -119.83 -27.76 5.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.727 0.299 . . . . 3.5099999999999998 110.969 -176.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.575 ' O ' ' HA ' ' A' ' 73' ' ' SER . 97.3 m95 -124.73 133.7 53.09 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.083 0.468 . . . . 3.1699999999999999 111.327 -175.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.448 ' HB2' ' HG2' ' A' ' 115' ' ' LYS . 25.9 t-20 -103.44 134.48 46.74 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.643 -1.243 . . . . 2.6899999999999999 107.643 167.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.703 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 1.3 m -128.11 147.95 50.56 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.72 0.295 . . . . 1.9299999999999999 111.207 -171.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.474 ' O ' HG22 ' A' ' 111' ' ' VAL . 75.1 t80 -143.45 135.33 26.62 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.912 -0.586 . . . . 3.73 109.685 176.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.799 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 64.4 m -81.72 111.84 18.34 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.997 -0.547 . . . . 1.6699999999999999 110.494 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.0 m -116.98 128.41 55.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.856 -0.611 . . . . 2.2400000000000002 110.418 -176.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.1 m -87.42 119.61 27.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.952 0.406 . . . . 2.7799999999999998 110.895 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.3 m -77.47 143.54 38.43 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.59 -0.522 . . . . 2.6899999999999999 109.59 174.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 59.3 m-70 -118.87 137.43 53.44 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.777 -0.453 . . . . 3.71 109.777 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.67 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 13.3 t -118.79 172.13 7.74 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.827 -0.435 . . . . 1.48 109.827 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.535 ' CE2' ' HB3' ' A' ' 103' ' ' ARG . 97.5 m-85 -119.42 124.94 47.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.791 0.329 . . . . 1.75 111.009 -174.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.3 m -120.35 145.36 26.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.998 -0.546 . . . . 1.0800000000000001 110.658 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -83.43 113.66 20.91 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.523 0.678 . . . . 3.8199999999999998 110.697 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.7 157.0 42.58 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.6 -0.727 . . . . 1.1299999999999999 110.517 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.8 tp -83.13 106.91 15.32 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.436 -0.579 . . . . 1.45 109.436 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.6 p -118.16 147.67 43.11 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.737 -0.665 . . . . 1.1399999999999999 110.535 -176.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 96' ' ' GLN . 9.0 t -105.0 118.56 36.84 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.68 0.752 . . . . 1.3200000000000001 111.01 -178.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -86.66 88.53 7.68 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.455 -0.943 . . . . 2.4700000000000002 108.455 174.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 69.23 -70.01 0.15 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.08 -0.963 . . . . 3.0899999999999999 110.913 -173.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -137.08 2.29 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.668 0.247 . . . . 3.29 111.668 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' A' ' 92' ' ' THR . 57.9 tp60 -102.64 108.56 19.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.621 0.248 . . . . 2.7400000000000002 110.959 -177.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.24 108.63 15.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.46 -0.337 . . . . 1.4399999999999999 110.391 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -135.7 151.26 50.0 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.23 -0.441 . . . . 1.3799999999999999 110.871 -177.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 81.9 m95 -77.44 118.45 19.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.986 -0.552 . . . . 2.3500000000000001 110.199 178.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.409 HH21 ' CG ' ' A' ' 30' ' ' ASP . 17.1 mtp180 -129.27 162.84 26.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.203 -0.453 . . . . 3.48 110.365 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -97.79 111.81 23.96 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.061 -0.518 . . . . 1.98 109.857 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 23.2 pt -113.57 149.04 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.156 -0.475 . . . . 0.85999999999999999 110.617 -176.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.67 ' HA ' ' O ' ' A' ' 85' ' ' THR . 19.5 ptp180 -89.13 137.69 32.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.312 0.577 . . . . 3.71 111.381 -174.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 30.2 pt -131.5 151.59 35.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.328 -0.851 . . . . 0.82999999999999996 110.236 176.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.455 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 1.6 m-20 -64.82 121.3 14.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.771 -0.65 . . . . 1.6899999999999999 109.509 177.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.514 ' O ' ' HB ' ' A' ' 56' ' ' THR . 2.3 m -97.65 -53.0 3.57 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.338 -0.392 . . . . 2.29 111.689 -172.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -166.78 157.86 12.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.386 -0.37 . . . . 1.1399999999999999 110.186 -178.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.799 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 51.7 t -105.5 117.8 34.94 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.861 0.363 . . . . 1.5600000000000001 110.036 177.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 26.3 m -105.02 150.25 7.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.111 -0.495 . . . . 1.0700000000000001 110.533 -177.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.703 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 43.3 t -97.56 101.73 13.33 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.298 -0.63 . . . . 1.45 109.298 177.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.598 ' O ' ' HA ' ' A' ' 78' ' ' SER . 25.8 m -76.39 134.75 28.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.33 -0.395 . . . . 1.52 110.097 -178.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 97.3 mt -107.92 138.27 44.47 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.993 0.425 . . . . 1.6699999999999999 110.476 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.2 p -134.4 146.96 50.36 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.684 -0.689 . . . . 2.6200000000000001 109.172 174.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -77.12 7.16 5.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.954 0.407 . . . . 6.7300000000000004 110.676 -175.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.448 ' HG2' ' HB2' ' A' ' 77' ' ' ASN . 42.9 mtmt 73.91 -52.57 0.69 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.909 0.884 . . . . 4.5899999999999999 110.986 178.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -72.55 -30.45 64.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.378 0.609 . . . . 4.5 109.732 174.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 26.8 p -128.78 153.0 47.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.4 -0.818 . . . . 5.7400000000000002 110.488 177.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.852 0 CA-C-O 118.456 -0.783 . . . . 8.6699999999999999 109.339 178.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 5.8 p . . . . . 0 N--CA 1.475 0.818 0 CA-C-O 120.951 0.405 . . . . 13.98 110.868 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.2 p -65.6 -47.64 75.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.299 -0.409 . . . . 12.76 110.81 -178.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 14.2 p -87.15 103.95 15.9 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.172 -0.467 . . . . 11.359999999999999 110.192 176.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -135.32 87.72 27.12 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 121.175 0.512 . . . . 10.289999999999999 111.271 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . 0.411 ' HG2' ' H ' ' B' ' 8' ' ' HIS . 88.1 Cg_endo -84.18 43.41 1.36 Allowed 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.643 2.229 . . . . 7.6299999999999999 111.974 178.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 t 59.47 35.67 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 115.708 -0.678 . . . . 6.6500000000000004 109.951 -178.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 51.4 t80 56.32 50.14 13.84 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.598 -0.728 . . . . 7.2699999999999996 109.631 -174.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . 0.411 ' H ' ' HG2' ' B' ' 5' ' ' PRO . 43.1 t60 57.01 49.76 13.29 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.238 -0.892 . . . . 7.7199999999999998 109.719 -175.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 55.5 tpp 73.71 -35.82 0.32 Allowed 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.03 -0.986 . . . . 5.3399999999999999 110.965 -176.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.91 -178.75 17.08 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.92 -0.657 . . . . 3.98 112.179 175.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.14 29.25 6.92 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.373 0.606 . . . . 4.6200000000000001 109.732 176.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -68.45 128.37 36.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.498 -0.774 . . . . 3.6499999999999999 110.261 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 28.9 t -151.98 161.71 42.22 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.757 -0.46 . . . . 2.4199999999999999 109.757 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 m -75.82 -17.06 15.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.897 -0.592 . . . . 1.4099999999999999 110.683 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 97.1 m -123.22 124.48 43.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.814 -0.63 . . . . 1.75 109.9 176.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.06 115.27 2.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 2.8700000000000001 110.511 -178.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 21.1 m -124.58 130.72 52.98 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.959 -0.564 . . . . 1.72 110.406 -177.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' B' ' 56' ' ' THR . 7.1 p -112.78 115.52 50.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.101 0.477 . . . . 1.51 110.55 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.421 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 50.3 m -89.66 117.37 28.48 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.206 -0.452 . . . . 1.6599999999999999 110.151 177.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 56.8 t -118.88 138.28 50.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.205 -0.452 . . . . 1.03 110.086 -179.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 83.7 m95 -102.6 95.71 6.41 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.386 -0.598 . . . . 1.6100000000000001 109.386 175.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 21.9 t -93.76 108.69 20.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.441 -0.799 . . . . 0.95999999999999996 110.468 -175.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.53 11.52 58.07 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.489 -0.862 . . . . 1.27 112.107 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -133.16 29.54 4.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.705 0.288 . . . . 3.0099999999999998 110.865 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.634 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 85.7 tttt -75.78 108.46 8.66 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.089 -0.708 . . . . 1.3200000000000001 109.089 177.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 11.3 t -95.15 -7.87 37.99 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.021 0.378 . . . . 1.8200000000000001 112.021 -173.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.3 p -141.37 134.42 29.16 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.696 0.284 . . . . 1.0 110.931 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.77 160.91 41.66 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.286 -0.416 . . . . 0.79000000000000004 110.577 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 16.9 m -95.94 117.07 29.9 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.122 0.487 . . . . 1.01 110.842 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . 0.428 ' CG ' HH21 ' B' ' 100' ' ' ARG . 21.6 t70 -65.97 164.76 14.51 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.025 -0.989 . . . . 1.8400000000000001 110.711 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.464 ' HA ' ' CE2' ' B' ' 86' ' ' PHE . 16.2 tt -60.71 -28.98 44.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.842 0.353 . . . . 1.3300000000000001 111.158 -179.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -78.28 -11.21 59.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.936 0.398 . . . . 2.2200000000000002 111.064 179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.89 13.79 38.94 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.798 -0.715 . . . . 1.25 112.604 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -93.7 141.5 28.42 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.357 -0.238 . . . . 2.1400000000000001 110.357 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -85.42 115.53 23.21 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.87 -0.789 . . . . 2.1899999999999999 108.87 173.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 29.8 m -116.03 153.78 17.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-O 121.047 0.451 . . . . 1.01 111.085 -176.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 22.8 m -88.61 108.42 19.43 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.425 -0.807 . . . . 1.04 110.48 -177.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.634 ' HB ' ' O ' ' B' ' 25' ' ' LYS . 15.4 t -79.34 136.91 22.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.156 -0.683 . . . . 1.1000000000000001 109.156 178.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 97.1 mt -82.29 2.55 31.51 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.623 -0.262 . . . . 1.9099999999999999 111.282 -176.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.574 ' H ' HG12 ' B' ' 38' ' ' VAL . . . 69.81 -46.17 0.59 Allowed 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.89 0.876 . . . . 2.1800000000000002 111.65 -178.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -127.02 149.87 49.7 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.355 -0.609 . . . . 3.5899999999999999 109.355 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 16.9 m -96.95 124.8 49.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 109.557 -0.535 . . . . 2.3900000000000001 109.557 177.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -78.44 149.31 33.29 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.51 -0.552 . . . . 3.25 109.51 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.484 ' HB ' ' HB ' ' B' ' 48' ' ' VAL . 14.4 tt -71.66 76.73 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-O 122.143 0.973 . . . . 2.77 112.836 -172.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -90.02 -3.5 57.94 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.712 -1.218 . . . . 3.8399999999999999 107.712 164.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.417 ' HB2' ' HB2' ' A' ' 46' ' ' ASN . 2.8 t-20 -164.14 -46.92 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 113.931 -1.486 . . . . 4.7599999999999998 108.375 176.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 18.2 p -147.28 159.08 44.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.527 -0.76 . . . . 3.3300000000000001 109.645 177.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.484 ' HB ' ' HB ' ' B' ' 44' ' ' ILE . 4.3 p -123.74 112.64 33.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.472 0.653 . . . . 2.3799999999999999 110.878 177.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -145.83 140.95 27.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.47 -0.787 . . . . 4.1299999999999999 110.085 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' B' ' 50' ' ' ARG . 13.0 ttm180 -79.18 127.81 32.5 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.188 -0.671 . . . . 4.8399999999999999 109.188 173.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.69 89.99 6.8 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.333 -0.394 . . . . 4.5599999999999996 110.429 -175.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -75.31 122.12 23.23 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.248 -0.649 . . . . 2.4500000000000002 109.248 173.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -96.6 118.89 34.04 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.128 -0.487 . . . . 1.1599999999999999 110.154 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 7.8 p90 -83.95 93.75 8.11 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.515 0.674 . . . . 3.5600000000000001 109.608 176.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . 0.454 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 16.8 mt-10 -108.58 107.82 18.47 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.709 -0.678 . . . . 1.49 110.157 -176.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.522 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 43.9 m -96.04 104.79 16.75 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.602 -0.726 . . . . 1.0700000000000001 109.462 176.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -102.88 151.91 21.9 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.695 -0.684 . . . . 2.48 110.223 -174.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 4.6 t -90.06 125.66 35.5 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.112 0.482 . . . . 1.73 110.473 -176.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -97.23 15.98 21.19 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.812 -0.631 . . . . 3.4900000000000002 110.3 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -146.93 172.46 13.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.828 -0.623 . . . . 2.5800000000000001 110.268 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 42.8 m -140.78 -48.32 0.42 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.515 -0.55 . . . . 2.7599999999999998 109.515 176.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -137.36 89.8 15.75 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 108.73 -0.841 . . . . 2.5899999999999999 108.73 173.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -50.11 -31.16 27.38 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 123.543 2.829 . . . . 2.5699999999999998 113.613 -177.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 35.8 m -124.54 -177.99 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 C-N-CA 120.985 -0.286 . . . . 2.5299999999999998 110.529 174.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -46.72 -45.39 19.54 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.887 0.699 . . . . 4.2000000000000002 112.887 -175.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . 0.454 ' HB3' ' OG ' ' B' ' 73' ' ' SER . 22.2 t -146.09 54.8 1.16 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.321 0.581 . . . . 3.8999999999999999 110.376 -178.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 156.86 -156.03 26.84 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.329 -0.939 . . . . 2.6000000000000001 112.595 177.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 71.4 m -100.44 161.05 13.86 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.281 -0.266 . . . . 1.74 110.281 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 33.9 mtm-85 -67.95 126.33 29.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.83 0.348 . . . . 3.9500000000000002 110.841 -177.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.81 -29.64 12.07 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.937 -0.649 . . . . 1.6000000000000001 112.05 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 49.3 mm -73.47 137.78 22.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 122.454 0.302 . . . . 1.6499999999999999 111.206 -177.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -71.2 96.45 1.39 Allowed 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.085 -0.507 . . . . 3.3199999999999998 110.661 175.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.586 ' HA ' ' O ' ' B' ' 76' ' ' TRP . 11.0 t -63.9 -16.27 61.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.295 0.569 . . . . 4.6299999999999999 110.588 178.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -65.84 -29.22 69.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.079 -0.51 . . . . 3.0600000000000001 111.487 176.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 35.2 t60 -119.6 -27.51 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.785 0.326 . . . . 3.5099999999999998 111.067 -176.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' TRP . . . . . 0.586 ' O ' ' HA ' ' B' ' 73' ' ' SER . 97.5 m95 -124.79 133.77 53.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.116 0.484 . . . . 3.1699999999999999 111.333 -176.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' ASN . . . . . 0.442 ' HB2' ' HG2' ' B' ' 115' ' ' LYS . 26.1 t-20 -103.37 134.45 46.73 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.735 -1.209 . . . . 2.7000000000000002 107.735 167.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.693 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 1.3 m -128.12 148.13 50.57 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.769 0.319 . . . . 1.9299999999999999 111.328 -171.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . 0.464 ' O ' HG22 ' B' ' 111' ' ' VAL . 74.9 t80 -143.53 135.36 26.51 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.793 -0.639 . . . . 3.73 109.717 176.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.792 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 64.7 m -81.91 111.48 18.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.094 -0.503 . . . . 1.6699999999999999 110.496 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 24.8 m -116.84 128.12 54.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.825 -0.625 . . . . 2.25 110.3 -176.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 23.0 m -86.6 120.17 27.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.865 0.364 . . . . 2.7799999999999998 111.12 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 13.6 m -77.91 143.44 37.71 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.569 -0.53 . . . . 2.6899999999999999 109.569 174.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -118.85 137.34 53.49 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.83 -0.433 . . . . 3.71 109.83 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.657 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 13.4 t -118.53 172.28 7.59 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.753 -0.462 . . . . 1.48 109.753 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.535 ' CE2' ' HB3' ' B' ' 103' ' ' ARG . 97.4 m-85 -119.51 124.91 47.6 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.827 0.346 . . . . 1.75 110.977 -174.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 m -120.26 145.54 26.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.926 -0.579 . . . . 1.0800000000000001 110.756 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -83.59 113.61 20.95 Favored 'General case' 0 C--O 1.24 0.585 0 CA-C-O 121.593 0.711 . . . . 3.8199999999999998 110.736 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.74 157.04 42.51 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.589 -0.732 . . . . 1.1299999999999999 110.553 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 31.7 tp -83.06 106.92 15.26 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.416 -0.587 . . . . 1.45 109.416 177.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 52.8 p -118.26 147.51 43.36 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.738 -0.665 . . . . 1.1499999999999999 110.447 -176.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' B' ' 96' ' ' GLN . 9.3 t -104.74 118.71 37.23 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.505 0.669 . . . . 1.3200000000000001 110.979 -178.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -86.88 88.91 7.8 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.453 -0.943 . . . . 2.46 108.453 173.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 68.95 -69.68 0.15 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.084 -0.962 . . . . 3.0899999999999999 111.052 -173.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -137.59 2.5 2.45 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.7 0.259 . . . . 3.2999999999999998 111.7 178.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' GLN . . . . . 0.455 ' O ' ' HA ' ' B' ' 92' ' ' THR . 57.8 tp60 -103.04 108.38 19.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.565 0.222 . . . . 2.7400000000000002 110.873 -177.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.22 108.83 15.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.34 -0.391 . . . . 1.4399999999999999 110.202 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -135.76 151.19 49.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.203 -0.453 . . . . 1.3899999999999999 110.88 -177.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 80.9 m95 -77.27 118.92 20.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.93 -0.577 . . . . 2.3500000000000001 110.186 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' ARG . . . . . 0.428 HH21 ' CG ' ' B' ' 30' ' ' ASP . 17.1 mtp180 -129.72 162.4 28.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.227 -0.442 . . . . 3.48 110.503 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -97.31 111.96 23.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.099 -0.501 . . . . 1.98 109.931 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 23.5 pt -113.71 149.13 16.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.236 -0.438 . . . . 0.85999999999999999 110.513 -176.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.657 ' HA ' ' O ' ' B' ' 85' ' ' THR . 19.4 ptp180 -89.11 137.73 32.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.277 0.56 . . . . 3.7200000000000002 111.457 -174.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 30.4 pt -131.62 151.47 35.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.349 -0.841 . . . . 0.82999999999999996 110.299 175.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . 0.454 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 1.6 m-20 -64.61 121.03 13.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.805 -0.634 . . . . 1.6899999999999999 109.577 177.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . 0.522 ' O ' ' HB ' ' B' ' 56' ' ' THR . 2.4 m -97.53 -53.05 3.56 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.403 -0.362 . . . . 2.29 111.658 -172.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -166.51 157.99 13.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 1.1499999999999999 110.269 -178.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . 0.792 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 51.5 t -105.56 117.74 34.78 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.951 0.405 . . . . 1.5600000000000001 110.018 177.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 26.3 m -104.93 150.31 7.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.074 -0.512 . . . . 1.0800000000000001 110.625 -177.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.693 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 43.5 t -97.66 101.7 13.28 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.243 -0.651 . . . . 1.45 109.243 177.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.595 ' O ' ' HA ' ' B' ' 78' ' ' SER . 25.2 m -76.28 135.19 27.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.31 -0.404 . . . . 1.52 110.091 -178.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 96.9 mt -108.3 138.21 44.97 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.875 0.369 . . . . 1.6699999999999999 110.399 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 24.4 p -134.33 146.82 50.32 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.213 -0.662 . . . . 2.6200000000000001 109.213 174.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -76.9 7.15 5.1 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.909 0.385 . . . . 6.7199999999999998 110.755 -175.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . 0.442 ' HG2' ' HB2' ' B' ' 77' ' ' ASN . 42.7 mtmt 73.71 -52.15 0.7 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.966 0.906 . . . . 4.5899999999999999 110.977 178.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -72.81 -30.53 64.13 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.404 0.621 . . . . 4.5 109.766 174.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 25.2 p -128.71 153.18 47.59 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.493 -0.776 . . . . 5.7400000000000002 110.511 177.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.264 -0.874 . . . . 8.6799999999999997 109.499 178.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.5 m . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.84 0.352 . . . . 13.98 110.536 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 p -124.41 -70.21 0.77 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.861 0.362 . . . . 12.75 110.819 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.0 p -78.03 110.46 12.99 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.184 -0.462 . . . . 11.35 111.371 -178.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 54.5 p-80 -147.27 117.87 4.51 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.164 -0.471 . . . . 10.279999999999999 110.424 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -85.14 59.36 5.32 Favored 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 122.634 2.223 . . . . 7.6299999999999999 111.986 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.8 t 56.14 59.25 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 109.1 -0.704 . . . . 6.6500000000000004 109.1 -174.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 58.65 -99.2 0.09 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 114.961 -1.018 . . . . 7.2699999999999996 110.039 -171.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -146.28 8.52 1.06 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.325 -0.991 . . . . 7.7199999999999998 108.325 172.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 23.4 ptp 40.2 43.36 1.37 Allowed 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 114.088 -1.415 . . . . 5.3399999999999999 111.567 -171.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -142.06 -12.26 0.46 Allowed Glycine 0 N--CA 1.45 -0.401 0 CA-C-N 115.189 -0.914 . . . . 3.98 111.73 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.435 ' H ' ' CD ' ' A' ' 11' ' ' GLU . 0.8 OUTLIER -99.71 10.82 40.68 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.229 0.538 . . . . 4.6299999999999999 110.368 177.305 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -84.83 71.16 10.9 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.224 -0.658 . . . . 3.6499999999999999 109.224 175.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.3 p -75.01 133.69 41.61 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.109 -0.951 . . . . 2.4199999999999999 110.419 -178.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.436 ' O ' ' HB2' ' A' ' 68' ' ' CYS . 28.3 m -59.82 -24.19 28.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 CA-C-N 116.037 -0.529 . . . . 1.4099999999999999 110.879 177.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.569 ' SG ' ' HB2' ' A' ' 110' ' ' CYS . 62.7 m -129.06 118.98 23.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.435 -0.802 . . . . 1.75 109.178 175.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -54.99 118.22 4.11 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 123.438 0.461 . . . . 2.8700000000000001 110.76 -178.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.421 ' HB3' HG22 ' A' ' 56' ' ' THR . 30.6 m -126.72 149.6 49.5 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.082 -0.508 . . . . 1.72 110.516 -177.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.538 ' O ' ' HA ' ' A' ' 56' ' ' THR . 7.1 p -122.3 132.0 72.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.411 -0.359 . . . . 1.51 111.06 -179.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.8 m -91.48 124.03 35.34 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.788 0.328 . . . . 1.6599999999999999 110.265 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.0 t -125.54 138.25 55.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.354 -0.384 . . . . 1.03 110.913 -175.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 93.9 m95 -103.11 96.51 6.84 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.037 -0.727 . . . . 1.6100000000000001 109.037 172.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.6 t -84.71 109.03 17.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.861 -0.608 . . . . 0.95999999999999996 110.566 -176.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.35 19.14 55.1 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.681 -0.771 . . . . 1.27 111.971 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -174.1 84.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.652 -0.499 . . . . 3.02 109.652 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -89.89 -17.15 28.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.517 -0.311 . . . . 1.3200000000000001 111.441 -175.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.7 p 63.42 -54.24 0.2 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.053 1.341 . . . . 1.8200000000000001 113.669 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.3 p -134.4 143.31 47.53 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.81 0.338 . . . . 1.01 111.099 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.453 ' HB1' ' HB ' ' A' ' 102' ' ' ILE . . . -151.17 156.29 40.65 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.208 -0.451 . . . . 0.79000000000000004 110.717 177.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 56.4 m -99.92 120.52 39.92 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.082 -0.508 . . . . 1.02 111.237 -176.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.434 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 21.5 t70 -71.71 164.02 26.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.212 -0.904 . . . . 1.8500000000000001 110.264 178.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.4 tt -57.64 -22.84 18.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 122.944 0.498 . . . . 1.3300000000000001 111.834 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.407 ' HG3' ' OD1' ' A' ' 30' ' ' ASP . 35.8 mttp -82.46 -2.75 54.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.956 0.408 . . . . 2.2200000000000002 110.912 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.56 17.79 57.93 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.963 -0.637 . . . . 1.25 111.746 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -93.77 131.26 39.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.699 0.285 . . . . 2.1400000000000001 110.935 -178.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -86.61 114.71 23.55 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.846 -0.798 . . . . 2.1899999999999999 108.846 176.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.4 m -122.9 156.98 28.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.118 0.485 . . . . 1.02 111.711 -174.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 18.5 m -83.45 117.96 23.42 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.307 -0.861 . . . . 1.04 110.41 179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.401 ' HA ' HG22 ' A' ' 91' ' ' THR . 89.4 t -87.37 130.74 36.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.941 -0.572 . . . . 1.1000000000000001 110.64 -177.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.4 mt -88.38 113.6 24.15 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.523 -0.547 . . . . 1.9099999999999999 109.523 177.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.15 -31.19 72.25 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 121.462 0.649 . . . . 2.1800000000000002 109.684 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.514 ' HA ' ' HA ' ' A' ' 50' ' ' ARG . 39.0 mt-10 -115.74 115.29 26.07 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 114.922 -1.035 . . . . 3.5899999999999999 108.756 174.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.508 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 25.6 m -93.06 139.1 18.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.244 0.545 . . . . 2.3999999999999999 111.253 -173.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -101.08 99.64 10.11 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.368 -0.833 . . . . 3.25 109.721 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 52.5 mt -106.8 86.69 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.973 0.416 . . . . 2.77 110.256 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 61.27 63.71 1.18 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.572 -0.74 . . . . 3.8399999999999999 110.449 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.7 m120 64.03 20.61 12.27 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.283 -0.871 . . . . 4.7599999999999998 111.6 176.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.9 t -129.4 118.4 22.12 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.358 -0.608 . . . . 3.3300000000000001 109.358 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.508 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 39.5 t -101.37 130.59 50.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.051 0.453 . . . . 2.3700000000000001 111.527 -174.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.427 ' O ' HG22 ' A' ' 42' ' ' VAL . 79.6 m-85 -137.07 133.55 35.55 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.75 -0.659 . . . . 4.1299999999999999 109.287 174.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.514 ' HA ' ' HA ' ' A' ' 41' ' ' GLU . 27.8 ptt180 -82.51 145.06 29.99 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.32 -0.552 . . . . 4.8399999999999999 109.878 179.318 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.448 ' OE1' ' HE3' ' B' ' 88' ' ' LYS . 86.8 mm-40 -120.12 154.46 34.68 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.001 -0.545 . . . . 4.5599999999999996 111.536 -172.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -122.82 151.35 41.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.579 -0.737 . . . . 2.46 109.378 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -122.71 123.23 40.63 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.995 -0.372 . . . . 1.1599999999999999 109.995 176.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -85.1 103.16 13.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.982 0.42 . . . . 3.5600000000000001 110.388 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -100.91 162.78 12.66 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.411 0.624 . . . . 1.49 110.123 175.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.572 ' HB ' ' C ' ' A' ' 106' ' ' THR . 50.7 m -140.89 100.44 3.83 Favored 'General case' 0 C--N 1.312 -1.05 0 N-CA-C 107.687 -1.227 . . . . 1.0700000000000001 107.687 169.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -101.71 147.36 26.55 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.1 -0.954 . . . . 2.48 109.74 -165.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.86 116.05 21.34 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.317 0.579 . . . . 1.73 110.54 -173.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -75.93 -34.52 59.89 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.411 -0.813 . . . . 3.48 110.296 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -135.62 113.61 11.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.798 -0.637 . . . . 2.5800000000000001 110.853 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.9 t -69.88 -24.65 63.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.079 -0.51 . . . . 2.7599999999999998 110.032 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -147.79 87.92 5.74 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.64 -0.709 . . . . 2.5899999999999999 109.58 174.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.434 ' HG2' ' O ' ' A' ' 14' ' ' VAL . 52.9 Cg_exo -53.46 -38.41 83.09 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.069 2.513 . . . . 2.5699999999999998 112.876 -177.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 29.8 m -118.09 154.92 20.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.734 -0.469 . . . . 2.5299999999999998 109.734 178.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 66' ' ' SER . 36.4 tt0 -81.2 70.92 8.15 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.992 0.425 . . . . 4.1900000000000004 111.072 -173.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.433 ' HB2' ' O ' ' A' ' 65' ' ' GLU . 4.9 t 175.75 -39.29 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.362 -0.835 . . . . 3.8999999999999999 109.043 178.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -169.72 -118.4 0.45 Allowed Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.447 -0.797 . . . . 2.6000000000000001 111.161 178.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 14' ' ' VAL . 24.7 p -126.48 -178.6 4.41 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.408 -0.59 . . . . 1.73 109.408 174.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -72.19 132.37 44.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.74 0.305 . . . . 3.9399999999999999 111.055 -175.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.38 -42.76 2.19 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.891 -0.671 . . . . 1.6100000000000001 113.693 173.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.3 mm -59.9 132.97 25.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 112.209 0.448 . . . . 1.6499999999999999 112.209 -175.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.412 ' OD1' ' HB3' ' A' ' 74' ' ' LYS . 21.5 t70 -71.44 99.76 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.864 -0.607 . . . . 3.3199999999999998 109.416 172.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.701 ' HA ' ' O ' ' A' ' 76' ' ' TRP . 5.2 t -77.76 -4.29 45.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.911 -0.586 . . . . 4.6299999999999999 111.037 -174.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.412 ' HB3' ' OD1' ' A' ' 72' ' ' ASP . 38.8 ttmt -66.3 -40.74 90.2 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.421 0.629 . . . . 3.0600000000000001 109.534 174.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -96.82 -38.36 9.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.657 -0.702 . . . . 3.5099999999999998 110.951 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.701 ' O ' ' HA ' ' A' ' 73' ' ' SER . 87.9 m95 -118.52 134.19 55.28 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.189 0.519 . . . . 3.1699999999999999 112.032 -171.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -95.38 134.74 37.84 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 107.803 -1.184 . . . . 2.6899999999999999 107.803 169.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.69 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 3.7 m -125.64 147.8 49.2 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.362 -0.535 . . . . 1.9299999999999999 112.179 -170.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -151.21 147.82 27.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.338 -0.846 . . . . 3.73 108.95 170.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.641 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 35.4 m -94.45 130.71 40.71 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.155 -0.475 . . . . 1.6699999999999999 111.082 -174.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.0 m -126.97 135.3 50.68 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.902 -0.59 . . . . 2.2400000000000002 109.716 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 108' ' ' CYS . 21.1 p -79.54 134.21 36.48 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 121.21 0.529 . . . . 2.7799999999999998 111.809 -177.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.6 m -92.14 124.53 36.29 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 115.547 -0.751 . . . . 2.6899999999999999 109.136 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.429 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 2.3 p-80 -119.67 136.26 54.48 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.08 0.467 . . . . 3.71 111.47 -176.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.574 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 14.6 t -111.85 164.27 13.27 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.43 -0.804 . . . . 1.48 109.402 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -103.27 116.78 33.11 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.917 0.389 . . . . 1.75 109.973 -177.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.468 HG12 HG12 ' B' ' 87' ' ' VAL . 26.9 m -109.83 152.74 11.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.999 -0.546 . . . . 1.0800000000000001 111.046 -176.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.439 ' HE3' ' OE1' ' B' ' 51' ' ' GLN . 42.8 mttp -86.26 109.56 19.02 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.452 -0.794 . . . . 3.8199999999999998 110.197 -177.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.5 139.1 52.5 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.114 -0.494 . . . . 1.1299999999999999 110.945 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 35.6 tp -75.35 114.74 14.23 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.233 -0.654 . . . . 1.45 109.233 176.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.401 HG22 ' HA ' ' A' ' 38' ' ' VAL . 77.5 p -122.37 166.7 14.29 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.048 -0.523 . . . . 1.1399999999999999 110.56 -175.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.1 t -123.27 110.54 15.34 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.444 0.64 . . . . 1.3200000000000001 110.049 176.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -77.41 -45.77 24.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.775 -0.648 . . . . 2.4700000000000002 110.234 -178.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -125.32 -76.05 0.59 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.252 -0.431 . . . . 3.0899999999999999 110.784 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -123.07 -48.6 1.99 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.865 0.364 . . . . 3.29 111.107 -177.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -78.34 177.03 8.77 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.118 -0.492 . . . . 2.7400000000000002 110.869 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -122.07 132.41 54.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.095 -0.502 . . . . 1.4399999999999999 110.848 -177.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -141.78 146.74 36.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.917 -0.583 . . . . 1.3799999999999999 110.37 -179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 17.2 m-90 -74.73 119.34 18.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.147 -0.479 . . . . 2.3500000000000001 111.276 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -110.17 169.5 8.69 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.628 -0.715 . . . . 3.48 109.789 176.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.434 ' O ' ' HA ' ' A' ' 30' ' ' ASP . 27.3 m-85 -111.32 101.95 10.38 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.316 -0.994 . . . . 1.98 108.316 179.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.453 ' HB ' ' HB1' ' A' ' 28' ' ' ALA . 37.8 pt -111.5 142.91 22.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.079 0.466 . . . . 0.85999999999999999 111.062 -168.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.574 ' HA ' ' O ' ' A' ' 85' ' ' THR . 35.9 ptt180 -83.82 125.45 31.96 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.79 -0.641 . . . . 3.71 111.395 -174.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.429 ' O ' ' HA ' ' A' ' 84' ' ' HIS . 42.8 pt -121.88 134.25 65.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.723 -0.672 . . . . 0.82999999999999996 109.668 173.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.424 ' HB3' ' HB ' ' A' ' 82' ' ' THR . 17.6 m-20 -80.09 113.44 18.26 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.371 -0.603 . . . . 1.6899999999999999 109.371 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.572 ' C ' ' HB ' ' A' ' 56' ' ' THR . 7.4 t -123.08 22.72 9.46 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.096 0.474 . . . . 2.29 111.048 -171.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.412 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -174.76 156.24 2.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.006 -0.543 . . . . 1.1399999999999999 109.982 176.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.641 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 48.5 t -130.71 113.47 14.19 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.227 -0.657 . . . . 1.5600000000000001 109.227 172.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.0 m -106.46 145.91 13.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.959 -0.564 . . . . 1.0700000000000001 110.866 -174.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.69 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 42.7 t -92.74 116.28 28.88 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.328 -0.619 . . . . 1.45 109.328 177.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.2 m -98.14 152.41 4.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 110.0 -0.371 . . . . 1.52 110.0 -179.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 62.7 mt -112.35 139.79 47.61 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.238 0.542 . . . . 1.6699999999999999 111.716 -174.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 38.0 t -121.44 140.23 52.43 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.869 -0.789 . . . . 2.6200000000000001 108.869 172.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -79.05 9.28 4.53 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.944 0.402 . . . . 6.7300000000000004 110.898 -176.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 28.2 mtmm 67.32 42.18 2.3 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.695 -0.684 . . . . 4.5899999999999999 109.786 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -135.42 153.07 51.91 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.766 -0.652 . . . . 4.5 110.517 -177.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.3 p -130.49 164.63 24.39 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.072 -0.513 . . . . 5.7400000000000002 110.359 177.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.636 ' HD3' ' OXT' ' A' ' 118' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.258 -0.877 . . . . 8.6699999999999999 111.303 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 N--CA 1.473 0.713 0 CA-C-O 120.924 0.392 . . . . 13.98 110.423 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 13.0 p -124.04 -70.29 0.77 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.342 -0.39 . . . . 12.76 110.851 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 7.3 p -78.18 110.64 13.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.202 -0.454 . . . . 11.359999999999999 111.282 -177.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 53.8 p-80 -147.46 117.35 4.39 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 116.072 -0.513 . . . . 10.289999999999999 110.395 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -84.98 59.12 5.39 Favored 'Trans proline' 0 C--O 1.236 0.419 0 C-N-CA 122.662 2.242 . . . . 7.6299999999999999 112.045 179.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 18.7 t 56.35 59.48 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.17 0 N-CA-C 109.004 -0.739 . . . . 6.6500000000000004 109.004 -174.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 58.32 -99.47 0.1 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-N 114.974 -1.012 . . . . 7.2699999999999996 110.055 -171.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -145.87 8.24 1.11 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.281 -1.007 . . . . 7.7199999999999998 108.281 172.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 23.4 ptp 40.15 43.62 1.38 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 114.164 -1.38 . . . . 5.3399999999999999 111.428 -171.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -142.29 -11.77 0.46 Allowed Glycine 0 N--CA 1.453 -0.232 0 CA-C-N 115.216 -0.902 . . . . 3.98 111.74 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.431 ' H ' ' CD ' ' B' ' 11' ' ' GLU . 0.8 OUTLIER -99.95 11.06 40.24 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.211 0.529 . . . . 4.6200000000000001 110.42 176.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -85.03 70.96 10.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.805 -0.634 . . . . 3.6499999999999999 109.306 175.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 12.3 p -74.83 133.71 41.85 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.068 -0.969 . . . . 2.4199999999999999 110.445 -178.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.43 ' O ' ' HG2' ' B' ' 63' ' ' PRO . 28.0 m -59.76 -24.32 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 115.837 -0.62 . . . . 1.4099999999999999 110.936 177.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.573 ' SG ' ' HB2' ' B' ' 110' ' ' CYS . 62.6 m -128.87 119.0 23.65 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.323 -0.853 . . . . 1.75 109.236 175.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -55.05 117.85 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.833 0.349 . . . . 2.8700000000000001 110.734 -178.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.414 ' HB3' HG22 ' B' ' 56' ' ' THR . 31.7 m -126.45 149.72 49.13 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.206 -0.452 . . . . 1.72 110.518 -177.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.524 ' O ' ' HA ' ' B' ' 56' ' ' THR . 7.1 p -122.27 131.65 72.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.815 0.341 . . . . 1.51 111.057 -179.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 28.6 m -91.1 124.01 35.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.843 0.354 . . . . 1.6599999999999999 110.223 178.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 42.7 t -125.57 138.62 53.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.277 -0.419 . . . . 1.03 110.851 -175.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -103.56 96.29 6.63 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.032 -0.729 . . . . 1.6100000000000001 109.032 172.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 47.1 t -84.5 108.96 17.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.776 -0.647 . . . . 0.95999999999999996 110.642 -176.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.24 19.07 55.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.688 -0.768 . . . . 1.27 112.062 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -174.13 84.8 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.557 -0.534 . . . . 3.0099999999999998 109.557 -179.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 tttm -89.78 -17.24 28.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.441 -0.345 . . . . 1.3200000000000001 111.307 -176.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 68.2 p 63.54 -54.36 0.21 Allowed 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.968 1.307 . . . . 1.8200000000000001 113.631 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.3 p -134.0 143.92 48.42 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.004 0.431 . . . . 1.0 111.158 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.447 ' HB1' ' HB ' ' B' ' 102' ' ' ILE . . . -151.81 156.59 40.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.073 -0.512 . . . . 0.79000000000000004 110.719 177.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 46.0 m -100.17 120.53 40.02 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.026 -0.534 . . . . 1.01 111.205 -176.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . 0.428 ' HA ' ' O ' ' B' ' 101' ' ' PHE . 20.8 t70 -71.64 164.2 26.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.169 -0.923 . . . . 1.8400000000000001 110.228 178.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 14.3 tt -57.7 -23.4 20.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 C-N-CA 122.96 0.504 . . . . 1.3300000000000001 111.768 -178.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.415 ' HG3' ' OD1' ' B' ' 30' ' ' ASP . 36.1 mttp -81.52 -3.85 54.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.941 0.4 . . . . 2.2200000000000002 110.958 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.47 17.45 57.02 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 121.091 -0.575 . . . . 1.25 111.841 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -93.49 131.79 38.38 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.627 0.251 . . . . 2.1400000000000001 110.851 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -87.34 114.62 24.12 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.788 -0.819 . . . . 2.1899999999999999 108.788 176.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 27.5 m -122.7 157.18 27.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.106 0.479 . . . . 1.01 111.682 -174.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 20.1 m -83.97 117.85 23.64 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.344 -0.843 . . . . 1.04 110.22 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.42 ' HA ' HG22 ' B' ' 91' ' ' THR . 94.2 t -87.19 130.62 36.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.912 -0.585 . . . . 1.1000000000000001 110.513 -177.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 84.2 mt -88.34 113.61 24.12 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.532 -0.544 . . . . 1.9099999999999999 109.532 177.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.17 -31.16 72.2 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.441 0.639 . . . . 2.1800000000000002 109.718 178.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.505 ' HA ' ' HA ' ' B' ' 50' ' ' ARG . 36.7 mt-10 -115.67 115.22 26.01 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.946 -1.025 . . . . 3.5899999999999999 108.934 174.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 26.0 m -92.94 139.07 18.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.179 0.514 . . . . 2.3900000000000001 111.201 -173.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -100.98 99.65 10.15 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.413 -0.812 . . . . 3.25 109.753 178.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 52.3 mt -106.91 87.64 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.35 -0.386 . . . . 2.77 110.05 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 60.32 63.91 1.31 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.517 -0.765 . . . . 3.8399999999999999 110.443 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 13.5 m120 64.0 20.6 12.27 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.214 -0.903 . . . . 4.7599999999999998 111.565 175.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 23.7 t -129.22 118.29 22.12 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.337 -0.616 . . . . 3.3300000000000001 109.337 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 39.1 t -100.95 131.04 49.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.273 -0.422 . . . . 2.3799999999999999 111.497 -174.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . 0.422 ' O ' HG22 ' B' ' 42' ' ' VAL . 79.8 m-85 -137.36 134.04 35.54 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.326 -0.62 . . . . 4.1299999999999999 109.326 174.062 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.505 ' HA ' ' HA ' ' B' ' 41' ' ' GLU . 27.6 ptt180 -82.7 145.07 29.8 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.276 -0.57 . . . . 4.8399999999999999 109.86 179.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.439 ' OE1' ' HE3' ' A' ' 88' ' ' LYS . 86.5 mm-40 -120.2 154.95 34.11 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.934 -0.576 . . . . 4.5599999999999996 111.453 -172.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -123.14 151.36 42.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.551 -0.749 . . . . 2.4500000000000002 109.314 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -122.87 123.21 40.46 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 110.077 -0.342 . . . . 1.1599999999999999 110.077 176.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -85.06 103.05 13.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.966 0.413 . . . . 3.5600000000000001 110.379 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -100.73 162.65 12.77 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.436 0.636 . . . . 1.49 110.093 175.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.572 ' HB ' ' C ' ' B' ' 106' ' ' THR . 50.8 m -140.93 100.23 3.78 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 107.707 -1.22 . . . . 1.0700000000000001 107.707 169.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -101.38 147.28 26.52 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.935 -1.029 . . . . 2.48 109.822 -165.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.78 115.94 21.24 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.111 0.481 . . . . 1.73 110.577 -173.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -75.92 -34.79 59.93 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.498 -0.774 . . . . 3.4900000000000002 110.176 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -135.33 113.45 11.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.869 -0.605 . . . . 2.5800000000000001 110.899 -178.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 22.8 t -69.98 -24.37 63.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 2.7599999999999998 110.066 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -147.96 88.26 5.59 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.426 -0.806 . . . . 2.5899999999999999 109.367 174.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . 0.43 ' HG2' ' O ' ' B' ' 14' ' ' VAL . 51.1 Cg_exo -53.57 -38.57 83.89 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.043 2.495 . . . . 2.5699999999999998 113.05 -178.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 31.3 m -118.09 154.51 20.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.837 -0.431 . . . . 2.5299999999999998 109.837 178.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' B' ' 66' ' ' SER . 35.9 tt0 -80.85 71.07 7.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.908 0.385 . . . . 4.2000000000000002 111.172 -173.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . 0.436 ' HB2' ' O ' ' B' ' 65' ' ' GLU . 4.8 t 175.64 -39.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.453 -0.794 . . . . 3.8999999999999999 109.094 178.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -170.18 -118.53 0.46 Allowed Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.994 -0.842 . . . . 2.6000000000000001 110.994 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' B' ' 14' ' ' VAL . 24.7 p -126.27 -178.4 4.31 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.401 -0.592 . . . . 1.74 109.401 174.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -72.36 132.17 43.61 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 121.08 -0.248 . . . . 3.9500000000000002 111.094 -175.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 96.98 -43.09 2.07 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 121.019 -0.61 . . . . 1.6000000000000001 113.427 172.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 47.3 mm -59.89 132.71 25.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.029 0.442 . . . . 1.6499999999999999 112.187 -175.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -71.14 99.39 1.86 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.688 -0.687 . . . . 3.3199999999999998 109.475 172.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.697 ' HA ' ' O ' ' B' ' 76' ' ' TRP . 5.3 t -77.36 -4.39 44.92 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.049 -0.523 . . . . 4.6299999999999999 110.954 -174.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -66.28 -41.03 90.43 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.383 -0.599 . . . . 3.0600000000000001 109.383 174.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -96.62 -38.41 9.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.749 -0.659 . . . . 3.5099999999999998 110.926 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' TRP . . . . . 0.697 ' O ' ' HA ' ' B' ' 73' ' ' SER . 87.5 m95 -118.26 134.23 55.21 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.126 0.489 . . . . 3.1699999999999999 112.023 -171.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -95.2 134.78 37.56 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 107.827 -1.175 . . . . 2.7000000000000002 107.827 169.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.695 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 3.7 m -125.81 147.48 49.41 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 120.32 -0.552 . . . . 1.9299999999999999 112.121 -170.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -150.96 147.94 27.78 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.304 -0.862 . . . . 3.73 108.838 170.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.649 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 35.2 m -94.49 130.62 40.8 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.019 -0.537 . . . . 1.6699999999999999 111.041 -174.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 59.3 m -126.81 134.97 50.44 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.757 -0.656 . . . . 2.25 109.792 -179.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.468 ' HA ' ' HA ' ' B' ' 108' ' ' CYS . 21.4 p -79.31 134.05 36.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.156 0.503 . . . . 2.7799999999999998 111.823 -177.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 5.8 m -92.06 124.33 36.08 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.547 -0.751 . . . . 2.6899999999999999 109.187 176.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' HIS . . . . . 0.441 ' HA ' ' O ' ' B' ' 104' ' ' ILE . 2.2 p-80 -119.67 136.03 54.57 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.915 0.388 . . . . 3.71 111.217 -176.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.574 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 14.7 t -111.76 164.28 13.22 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.508 -0.769 . . . . 1.48 109.297 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -103.31 116.61 32.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.098 0.475 . . . . 1.75 110.171 -177.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . 0.468 HG12 HG12 ' A' ' 87' ' ' VAL . 27.1 m -109.87 152.77 11.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.835 -0.62 . . . . 1.0800000000000001 110.855 -176.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . 0.448 ' HE3' ' OE1' ' A' ' 51' ' ' GLN . 42.8 mttp -86.47 109.42 19.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.398 -0.819 . . . . 3.8199999999999998 110.173 -177.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.36 139.01 52.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.072 -0.513 . . . . 1.1299999999999999 111.029 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 35.1 tp -75.31 114.65 14.08 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.285 -0.635 . . . . 1.45 109.285 176.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . 0.42 HG22 ' HA ' ' B' ' 38' ' ' VAL . 79.3 p -122.23 166.98 13.76 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.901 -0.591 . . . . 1.1499999999999999 110.612 -175.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 6.8 t -123.68 110.99 15.66 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.46 0.648 . . . . 1.3200000000000001 109.954 176.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -78.0 -45.15 24.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.666 -0.697 . . . . 2.46 110.325 -178.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -125.74 -75.79 0.59 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.26 -0.427 . . . . 3.0899999999999999 110.946 177.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -123.23 -49.32 1.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.953 0.406 . . . . 3.2999999999999998 111.138 -178.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -77.66 176.67 8.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.169 -0.468 . . . . 2.7400000000000002 110.94 -178.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -121.78 133.1 54.91 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.288 -0.414 . . . . 1.4399999999999999 110.899 -177.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.24 146.63 35.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.888 -0.596 . . . . 1.3899999999999999 110.259 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 17.2 m-90 -74.64 119.63 19.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.109 0.48 . . . . 2.3500000000000001 111.267 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -110.34 169.54 8.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.57 -0.741 . . . . 3.48 109.894 176.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.428 ' O ' ' HA ' ' B' ' 30' ' ' ASP . 27.7 m-85 -111.34 101.89 10.32 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.354 -0.98 . . . . 1.98 108.354 179.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . 0.447 ' HB ' ' HB1' ' B' ' 28' ' ' ALA . 36.7 pt -111.55 142.93 22.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.07 0.462 . . . . 0.85999999999999999 111.103 -168.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.574 ' HA ' ' O ' ' B' ' 85' ' ' THR . 35.8 ptt180 -83.66 125.52 31.93 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.802 -0.635 . . . . 3.7200000000000002 111.353 -174.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' ILE . . . . . 0.441 ' O ' ' HA ' ' B' ' 84' ' ' HIS . 42.9 pt -121.91 134.22 65.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.813 -0.63 . . . . 0.82999999999999996 109.857 172.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . 0.412 ' HB3' ' HB ' ' B' ' 82' ' ' THR . 16.1 m-20 -80.16 113.47 18.35 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.298 -0.631 . . . . 1.6899999999999999 109.298 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . 0.572 ' C ' ' HB ' ' B' ' 56' ' ' THR . 7.0 t -123.06 22.85 9.44 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.292 -0.413 . . . . 2.29 111.014 -171.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -175.16 156.16 2.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.016 -0.538 . . . . 1.1499999999999999 109.96 176.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . 0.649 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 48.5 t -130.67 113.4 14.13 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.191 -0.67 . . . . 1.5600000000000001 109.191 172.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 29.7 m -106.43 145.75 13.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.068 -0.514 . . . . 1.0800000000000001 110.924 -174.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.695 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 42.8 t -92.55 116.44 29.0 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.212 -0.662 . . . . 1.45 109.212 177.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 18.1 m -98.22 152.38 4.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.993 -0.373 . . . . 1.52 109.993 -179.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 62.7 mt -112.3 139.73 47.61 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.278 0.561 . . . . 1.6699999999999999 111.711 -174.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 38.6 t -121.38 140.53 52.0 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.793 -0.817 . . . . 2.6200000000000001 108.793 172.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -79.12 8.97 4.91 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.092 0.472 . . . . 6.7199999999999998 110.84 -176.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 28.1 mtmm 67.56 41.97 2.2 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.867 -0.606 . . . . 4.5899999999999999 109.726 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -135.6 152.65 51.46 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.589 -0.732 . . . . 4.5 110.515 -177.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 4.7 p -130.06 164.81 23.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.929 -0.578 . . . . 5.7400000000000002 110.223 178.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' ARG . . . . . 0.633 ' HD3' ' OXT' ' B' ' 118' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.371 -0.823 . . . . 8.6799999999999997 111.188 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.5 p . . . . . 0 N--CA 1.477 0.888 0 CA-C-O 121.237 0.541 . . . . 13.98 110.84 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 m -147.25 -54.39 0.23 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.944 -0.571 . . . . 12.75 109.766 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.2 p -85.29 84.68 7.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.729 -0.669 . . . . 11.35 110.212 176.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -129.54 71.03 82.14 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.846 -0.616 . . . . 10.279999999999999 110.25 -175.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -85.33 71.7 4.72 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.834 2.356 . . . . 7.6299999999999999 112.077 -178.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.5 t 63.08 74.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.419 -0.81 . . . . 6.6500000000000004 110.264 -176.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -107.29 -15.63 14.6 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.872 -0.604 . . . . 7.2699999999999996 110.212 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -81.57 61.91 5.2 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.948 -0.76 . . . . 7.7199999999999998 108.948 177.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 34.1 ttm 177.52 -32.31 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.555 -1.202 . . . . 5.3399999999999999 108.31 -174.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.49 177.17 15.47 Favored Glycine 0 N--CA 1.442 -0.948 0 CA-C-N 114.728 -1.124 . . . . 3.98 110.581 -176.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -84.41 31.04 0.52 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 117.189 0.494 . . . . 4.6299999999999999 110.863 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.414 ' HB2' HG12 ' B' ' 111' ' ' VAL . 88.1 m-85 64.17 169.49 0.17 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.305 -0.861 . . . . 3.6499999999999999 112.359 178.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.8 t -172.45 152.22 2.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.426 -0.806 . . . . 2.4199999999999999 109.439 175.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -79.57 -6.09 9.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.291 0.567 . . . . 1.4099999999999999 110.749 178.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.7 t -129.59 152.41 49.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.283 -0.872 . . . . 1.75 109.088 178.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.502 ' HB3' ' O ' ' A' ' 59' ' ' ARG . 6.3 t0 -73.48 115.21 12.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.326 0.584 . . . . 2.8700000000000001 109.763 -176.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.4 m -112.53 134.71 53.91 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.75 -0.659 . . . . 1.72 110.693 -175.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.567 ' O ' ' HA ' ' A' ' 56' ' ' THR . 4.5 p -109.86 115.35 49.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.951 0.405 . . . . 1.51 110.669 178.226 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.9 m -97.07 119.29 35.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.086 -0.507 . . . . 1.6599999999999999 110.533 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.1 t -119.82 138.07 51.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.145 -0.479 . . . . 1.03 110.365 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -97.36 95.61 7.8 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.874 -0.787 . . . . 1.6100000000000001 108.874 173.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 49.0 t -87.38 112.86 23.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.86 -0.609 . . . . 0.95999999999999996 110.297 -175.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.89 -12.38 64.02 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.359 -0.924 . . . . 1.27 112.486 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -141.18 72.53 1.39 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.766 0.317 . . . . 3.02 111.12 -178.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.509 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 58.6 tttp -74.66 127.51 33.3 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.998 -0.741 . . . . 1.3200000000000001 108.998 174.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 t -83.49 -42.28 17.07 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.295 0.48 . . . . 1.8200000000000001 112.295 -171.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.0 p -141.16 147.8 39.01 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.644 0.259 . . . . 1.01 111.007 -177.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.414 ' HB1' ' HB ' ' A' ' 102' ' ' ILE . . . -153.61 162.73 40.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.014 -0.539 . . . . 0.79000000000000004 110.54 176.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.42 ' HB ' ' HE ' ' A' ' 103' ' ' ARG . 6.9 m -100.08 119.87 38.97 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.871 -0.604 . . . . 1.02 110.514 179.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.427 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 10.5 t70 -69.34 157.93 36.05 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.938 -0.764 . . . . 1.8500000000000001 108.938 174.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.7 tt -58.9 -16.89 10.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 123.167 0.587 . . . . 1.3300000000000001 111.908 -177.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -84.04 2.03 41.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.929 0.395 . . . . 2.2200000000000002 110.867 177.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.55 24.38 50.59 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.127 -0.558 . . . . 1.25 112.232 177.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -107.89 128.43 54.61 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.686 0.279 . . . . 2.1400000000000001 110.934 -178.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -88.87 115.56 26.5 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.531 -0.544 . . . . 2.1899999999999999 109.531 177.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.5 m -130.3 161.24 40.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.128 0.489 . . . . 1.02 111.666 -175.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 29.2 m -82.75 121.58 27.07 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.334 -0.848 . . . . 1.04 110.367 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.509 ' HB ' ' O ' ' A' ' 25' ' ' LYS . 60.5 t -87.68 135.83 24.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.059 -0.518 . . . . 1.1000000000000001 111.088 -174.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 74.3 mt -105.06 127.34 52.84 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.214 -0.661 . . . . 1.9099999999999999 109.214 175.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.22 -23.68 63.92 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.235 0.541 . . . . 2.1800000000000002 110.476 179.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.452 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 5.6 mm-40 -105.17 115.9 31.05 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.907 -1.042 . . . . 3.5899999999999999 109.594 -177.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 49' ' ' PHE . 28.3 m -92.59 99.88 10.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 122.038 0.923 . . . . 2.3999999999999999 110.534 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.41 ' H ' HD22 ' A' ' 90' ' ' LEU . 32.3 m-80 -78.12 99.66 6.26 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.886 -1.052 . . . . 3.25 109.646 178.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.484 HG22 ' OD1' ' A' ' 45' ' ' ASN . 65.3 mt -77.43 -71.85 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.738 -0.467 . . . . 2.77 109.738 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.484 ' OD1' HG22 ' A' ' 44' ' ' ILE . 11.6 m120 -135.6 -65.15 0.61 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.833 -0.803 . . . . 3.8399999999999999 108.833 172.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -124.54 -17.01 6.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.243 -0.889 . . . . 4.7599999999999998 110.052 177.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.4 m -97.22 127.77 43.5 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.947 -0.57 . . . . 3.3300000000000001 110.17 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.452 ' CG1' ' HB3' ' A' ' 41' ' ' GLU . 43.7 t -116.38 123.14 71.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.953 -0.567 . . . . 2.3700000000000001 110.151 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.468 ' O ' HG22 ' A' ' 42' ' ' VAL . 96.6 m-85 -120.7 160.95 22.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.583 -0.28 . . . . 4.1299999999999999 110.602 -178.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.444 ' HB3' ' OE1' ' A' ' 41' ' ' GLU . 5.8 ptp180 -141.11 165.78 26.61 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.394 -0.366 . . . . 4.8399999999999999 110.291 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -150.19 163.17 38.93 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.014 -0.735 . . . . 4.5599999999999996 109.014 175.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -105.11 124.95 50.41 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.012 -0.736 . . . . 2.46 109.012 176.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -78.23 125.05 28.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.334 -0.393 . . . . 1.1599999999999999 110.508 -176.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -84.94 94.26 8.74 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.842 -0.617 . . . . 3.5600000000000001 109.798 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.77 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 26.7 mt-10 -104.29 104.62 14.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.15 -0.477 . . . . 1.49 110.737 -178.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.567 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 48.4 m -100.67 113.98 27.3 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.83 -0.433 . . . . 1.0700000000000001 109.83 174.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -117.24 163.85 15.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.021 -0.536 . . . . 2.48 111.09 -172.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 84.4 m -85.44 112.23 20.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.708 -0.678 . . . . 1.73 111.262 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.502 ' O ' ' HB3' ' A' ' 16' ' ' ASP . 22.9 ptt180 -113.77 129.44 56.58 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.086 -0.709 . . . . 3.48 109.086 173.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 60.36 78.68 0.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.188 0.518 . . . . 2.5800000000000001 109.962 -174.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.7 t -66.36 -11.63 52.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.594 -0.73 . . . . 2.7599999999999998 111.401 -176.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.45 ' ND2' ' HA2' ' A' ' 67' ' ' GLY . 14.0 m120 -127.67 76.17 77.29 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 116.566 -0.288 . . . . 2.5899999999999999 110.228 177.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -57.46 -31.69 92.05 Favored 'Trans proline' 0 C--N 1.353 0.811 0 C-N-CA 122.292 1.995 . . . . 2.5699999999999998 111.195 176.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.3 m -116.4 158.61 16.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.273 -0.876 . . . . 2.5299999999999998 108.826 172.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -79.63 60.32 3.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.197 0.522 . . . . 4.1900000000000004 110.614 -175.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.7 m -163.79 -45.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.312 -0.858 . . . . 3.8999999999999999 109.356 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.45 ' HA2' ' ND2' ' A' ' 62' ' ' ASN . . . 166.74 -123.71 1.16 Allowed Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.691 -0.964 . . . . 2.6000000000000001 110.691 -179.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 82.9 m -81.05 162.15 23.89 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.902 -0.407 . . . . 1.73 109.902 174.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 -78.2 135.63 37.65 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.703 0.287 . . . . 3.9399999999999999 110.318 -177.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 103.17 -35.63 4.88 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 121.02 -0.609 . . . . 1.6100000000000001 112.105 178.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.463 HG22 ' H ' ' A' ' 73' ' ' SER . 33.6 mm -63.17 122.82 14.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 110.306 -0.257 . . . . 1.6499999999999999 110.306 -179.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -61.87 -23.99 66.64 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.153 -0.476 . . . . 3.3199999999999998 111.352 -178.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.533 ' HA ' ' O ' ' A' ' 76' ' ' TRP . 19.7 m 65.7 11.3 7.44 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.702 -0.681 . . . . 4.6299999999999999 112.297 172.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -106.05 -36.02 7.07 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.422 -0.585 . . . . 3.0600000000000001 109.422 175.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -91.74 -24.45 19.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.683 -0.689 . . . . 3.5099999999999998 110.035 176.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.544 ' CE3' ' HB3' ' A' ' 112' ' ' LEU . 97.7 m95 -134.89 140.22 45.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.714 -0.676 . . . . 3.1699999999999999 111.884 -172.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.46 ' HB2' ' HG2' ' A' ' 115' ' ' LYS . 8.4 t30 -97.38 135.43 39.29 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.971 -1.122 . . . . 2.6899999999999999 107.971 168.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.0 t -131.34 135.86 47.61 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.181 0.515 . . . . 1.9299999999999999 112.369 -167.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.454 ' CZ ' HG21 ' A' ' 111' ' ' VAL . 42.5 p90 -156.83 166.93 31.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.321 -0.854 . . . . 3.73 108.806 170.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.527 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 12.9 m -105.32 140.86 37.81 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.851 0.358 . . . . 1.6699999999999999 111.62 -170.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.499 ' O ' HG22 ' A' ' 109' ' ' VAL . 50.6 m -132.18 136.04 46.77 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.998 -0.546 . . . . 2.2400000000000002 109.697 178.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.8 m -87.81 127.7 35.33 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.746 0.308 . . . . 2.7799999999999998 111.028 -177.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.3 t -91.27 167.19 12.49 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.135 -0.32 . . . . 2.6899999999999999 110.135 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -138.97 143.97 38.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.901 0.382 . . . . 3.71 111.552 -170.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.646 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 7.9 t -116.2 171.07 8.05 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.17 -0.678 . . . . 1.48 109.17 174.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.469 ' HA ' ' O ' ' A' ' 102' ' ' ILE . 97.4 m-85 -117.46 115.86 26.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.081 0.467 . . . . 1.75 110.573 -178.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.586 HG12 HG12 ' B' ' 87' ' ' VAL . 26.6 m -112.91 149.07 15.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.749 -0.66 . . . . 1.0800000000000001 111.065 -176.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -75.19 110.9 9.91 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.319 -0.401 . . . . 3.8199999999999998 110.031 176.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.78 139.91 51.97 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.293 -0.412 . . . . 1.1299999999999999 110.646 178.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.41 HD22 ' H ' ' A' ' 43' ' ' ASN . 26.0 tp -78.1 125.04 28.77 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.345 -0.983 . . . . 1.45 108.345 173.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 97' ' ' ALA . 66.5 p -124.0 153.83 40.72 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.972 -0.291 . . . . 1.1399999999999999 110.749 -175.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.8 t -114.12 109.89 19.14 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.695 0.76 . . . . 1.3200000000000001 109.804 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -74.27 -51.51 15.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.346 -0.843 . . . . 2.4700000000000002 110.711 -175.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -136.89 -72.85 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.265 -0.425 . . . . 3.0899999999999999 110.516 176.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -127.91 7.41 6.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.728 0.299 . . . . 3.29 111.273 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -130.02 154.18 47.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.875 0.369 . . . . 2.7400000000000002 110.687 179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.427 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -108.2 128.83 55.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.747 -0.661 . . . . 1.4399999999999999 110.505 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -135.9 148.11 48.44 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.333 -0.394 . . . . 1.3799999999999999 110.639 -178.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -75.72 124.97 28.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.103 -0.499 . . . . 2.3500000000000001 110.85 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 100' ' ' ARG . 54.9 mmt-85 -126.92 164.37 21.59 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.943 -0.571 . . . . 3.48 110.729 178.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.427 ' O ' ' HA ' ' A' ' 30' ' ' ASP . 30.6 m-85 -110.37 106.09 15.32 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.691 -1.225 . . . . 1.98 107.691 176.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.469 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 39.0 pt -111.49 144.55 19.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.311 0.577 . . . . 0.85999999999999999 111.619 -168.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.646 ' HA ' ' O ' ' A' ' 85' ' ' THR . 28.6 ptt180 -79.48 123.42 27.54 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 114.923 -1.035 . . . . 3.71 110.507 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 44.9 pt -121.97 143.03 35.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 109.692 -0.484 . . . . 0.82999999999999996 109.692 173.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.77 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 37.9 m-20 -62.56 126.66 28.09 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.286 -0.635 . . . . 1.6899999999999999 109.286 178.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.551 ' O ' ' HB ' ' A' ' 56' ' ' THR . 3.5 m -116.26 -36.43 4.05 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 112.781 0.659 . . . . 2.29 112.781 -172.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.401 ' HA ' ' HB ' ' A' ' 56' ' ' THR . . . -156.47 158.63 37.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.771 0.319 . . . . 1.1399999999999999 110.974 -176.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.527 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 51.7 t -105.64 117.47 34.11 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.091 -0.504 . . . . 1.5600000000000001 109.652 177.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 81' ' ' THR . 12.0 m -104.91 158.89 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.313 -0.403 . . . . 1.0700000000000001 110.088 -178.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 42.7 t -110.16 125.22 52.8 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 109.806 -0.442 . . . . 1.45 109.806 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.484 HG12 ' HB2' ' B' ' 12' ' ' PHE . 2.9 m -92.39 154.21 3.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.351 -0.386 . . . . 1.52 110.304 -178.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.544 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . 96.8 mt -125.76 138.41 53.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.192 0.52 . . . . 1.6699999999999999 110.383 175.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.48 ' O ' ' HA ' ' A' ' 76' ' ' TRP . 2.2 p -137.1 170.19 16.51 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.653 -0.703 . . . . 2.6200000000000001 109.644 176.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -88.5 10.52 19.99 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 112.423 0.527 . . . . 6.7300000000000004 112.423 -173.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.46 ' HG2' ' HB2' ' A' ' 77' ' ' ASN . 56.3 mtpt 68.17 32.63 4.75 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 109.631 -0.507 . . . . 4.5899999999999999 109.631 -178.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 179.67 -52.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.77 -1.105 . . . . 4.5 108.935 -178.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 24.1 p -115.58 174.02 6.23 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.281 -0.872 . . . . 5.7400000000000002 110.07 175.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.733 -0.651 . . . . 8.6699999999999999 110.169 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.5 p . . . . . 0 N--CA 1.476 0.867 0 CA-C-O 121.221 0.534 . . . . 13.98 110.977 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.7 m -147.62 -54.09 0.21 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.916 -0.584 . . . . 12.76 109.981 178.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 2.9 p -85.69 84.74 7.5 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.615 -0.721 . . . . 11.359999999999999 110.041 176.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -129.82 70.85 82.18 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.806 -0.634 . . . . 10.289999999999999 110.216 -175.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -85.16 72.73 4.45 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.816 2.344 . . . . 7.6299999999999999 111.801 -178.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 33.5 t 62.25 74.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.358 -0.837 . . . . 6.6500000000000004 110.313 -176.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -107.42 -15.1 14.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.913 -0.585 . . . . 7.2699999999999996 110.188 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -82.02 61.46 5.32 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.06 -0.718 . . . . 7.7199999999999998 109.06 177.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 34.2 ttm 177.85 -32.18 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.426 -1.261 . . . . 5.3399999999999999 108.245 -174.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.4 177.54 15.59 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 114.832 -1.076 . . . . 3.98 110.526 -176.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -84.86 31.28 0.54 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 117.23 0.515 . . . . 4.6200000000000001 110.736 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . 0.484 ' HB2' HG12 ' A' ' 111' ' ' VAL . 87.2 m-85 64.17 169.66 0.17 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.345 -0.843 . . . . 3.6499999999999999 112.278 178.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 33.4 t -172.71 151.99 2.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.45 -0.795 . . . . 2.4199999999999999 109.413 176.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -79.54 -5.99 8.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.236 0.541 . . . . 1.4099999999999999 110.727 178.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 49.8 t -129.55 152.33 49.19 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.295 -0.866 . . . . 1.75 109.144 178.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . 0.496 ' HB3' ' O ' ' B' ' 59' ' ' ARG . 6.3 t0 -73.47 115.32 12.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.363 0.602 . . . . 2.8700000000000001 109.765 -176.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 18.1 m -112.6 134.64 54.02 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.778 -0.646 . . . . 1.72 110.602 -175.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.559 ' O ' ' HA ' ' B' ' 56' ' ' THR . 4.6 p -109.99 115.45 49.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.916 0.388 . . . . 1.51 110.699 178.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.1 m -97.14 118.84 34.47 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.985 -0.552 . . . . 1.6599999999999999 110.712 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 46.6 t -119.55 138.24 50.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.222 -0.445 . . . . 1.03 110.271 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -97.52 95.83 7.9 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.721 -0.844 . . . . 1.6100000000000001 108.721 173.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 48.5 t -87.41 112.83 23.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.823 -0.626 . . . . 0.95999999999999996 110.382 -175.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.84 -12.22 64.39 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.235 -0.983 . . . . 1.27 112.457 -178.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -141.73 72.64 1.39 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.811 0.338 . . . . 3.0099999999999998 111.13 -178.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.506 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 58.5 tttp -74.66 127.72 33.8 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.054 -0.721 . . . . 1.3200000000000001 109.054 173.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 8.9 t -83.76 -42.36 16.61 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.164 0.431 . . . . 1.8200000000000001 112.164 -171.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.0 p -141.07 147.66 38.94 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.693 0.282 . . . . 1.0 111.077 -177.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.411 ' HB1' ' HB ' ' B' ' 102' ' ' ILE . . . -153.34 162.92 40.78 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.952 -0.567 . . . . 0.79000000000000004 110.603 176.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 6.7 m -100.31 119.88 39.08 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.898 -0.592 . . . . 1.01 110.514 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . 0.431 ' HA ' ' O ' ' B' ' 101' ' ' PHE . 10.3 t70 -69.43 157.94 36.11 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.094 -0.706 . . . . 1.8400000000000001 109.094 174.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.5 tt -58.92 -16.56 9.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 123.056 0.543 . . . . 1.3300000000000001 111.866 -177.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -84.43 2.24 41.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.894 0.378 . . . . 2.2200000000000002 110.923 177.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.55 24.1 51.53 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 121.025 -0.607 . . . . 1.25 112.293 177.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -107.68 128.34 54.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.74 0.305 . . . . 2.1400000000000001 111.053 -178.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -88.71 115.43 26.24 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.585 -0.524 . . . . 2.1899999999999999 109.585 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 8.0 m -130.19 161.29 40.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.179 0.514 . . . . 1.01 111.644 -175.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 28.1 m -83.0 121.52 27.11 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.268 -0.878 . . . . 1.04 110.42 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.506 ' HB ' ' O ' ' B' ' 25' ' ' LYS . 61.0 t -87.75 135.57 25.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.066 -0.516 . . . . 1.1000000000000001 111.225 -174.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 73.6 mt -104.88 127.13 52.59 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.258 -0.645 . . . . 1.9099999999999999 109.258 175.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.11 -23.71 64.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.222 0.534 . . . . 2.1800000000000002 110.398 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.457 ' HB3' ' CG1' ' B' ' 48' ' ' VAL . 5.5 mm-40 -105.18 115.92 31.08 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.029 -0.987 . . . . 3.5899999999999999 109.658 -177.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.464 HG22 ' O ' ' B' ' 49' ' ' PHE . 28.3 m -92.58 99.92 10.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 122.001 0.905 . . . . 2.3900000000000001 110.587 -179.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.406 ' H ' HD22 ' B' ' 90' ' ' LEU . 31.9 m-80 -78.18 99.39 6.19 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.925 -1.034 . . . . 3.25 109.681 178.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.482 HG22 ' OD1' ' B' ' 45' ' ' ASN . 64.6 mt -76.98 -72.47 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.818 -0.438 . . . . 2.77 109.818 178.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . 0.482 ' OD1' HG22 ' B' ' 44' ' ' ILE . 11.8 m120 -135.0 -65.32 0.63 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.889 -0.782 . . . . 3.8399999999999999 108.889 172.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -124.21 -17.16 6.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.174 -0.921 . . . . 4.7599999999999998 109.927 177.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 16.5 m -97.0 127.5 43.03 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.932 -0.576 . . . . 3.3300000000000001 110.185 179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.457 ' CG1' ' HB3' ' B' ' 41' ' ' GLU . 43.6 t -116.49 122.86 70.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.057 -0.52 . . . . 2.3799999999999999 110.192 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . 0.464 ' O ' HG22 ' B' ' 42' ' ' VAL . 96.7 m-85 -120.26 160.92 22.02 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.486 -0.325 . . . . 4.1299999999999999 110.71 -178.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.446 ' HB3' ' OE1' ' B' ' 41' ' ' GLU . 5.8 ptp180 -141.13 165.65 26.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.287 -0.415 . . . . 4.8399999999999999 110.354 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -149.9 163.22 38.64 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.017 -0.735 . . . . 4.5599999999999996 109.017 174.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -105.15 125.24 50.77 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.114 -0.699 . . . . 2.4500000000000002 109.114 175.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -78.41 124.95 28.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.326 -0.397 . . . . 1.1599999999999999 110.552 -176.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -84.88 94.54 8.77 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.84 -0.618 . . . . 3.5600000000000001 109.83 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . 0.765 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 26.5 mt-10 -104.51 104.5 14.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.199 -0.455 . . . . 1.49 110.851 -178.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.559 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 48.7 m -100.52 114.07 27.39 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.736 -0.468 . . . . 1.0700000000000001 109.736 174.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -117.39 163.65 16.04 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.907 -0.588 . . . . 2.48 111.094 -172.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 83.6 m -85.2 112.53 20.81 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.711 -0.677 . . . . 1.73 111.157 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . 0.496 ' O ' ' HB3' ' B' ' 16' ' ' ASP . 23.0 ptt180 -114.07 129.77 56.6 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.068 -0.716 . . . . 3.4900000000000002 109.068 173.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . 60.16 78.27 0.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.164 0.507 . . . . 2.5800000000000001 110.084 -174.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 46.7 t -66.01 -11.48 48.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.695 -0.684 . . . . 2.7599999999999998 111.567 -176.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . 0.447 ' ND2' ' HA2' ' B' ' 67' ' ' GLY . 14.3 m120 -127.9 76.31 77.57 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 110.093 -0.336 . . . . 2.5899999999999999 110.093 177.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -57.34 -32.08 92.82 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 122.225 1.95 . . . . 2.5699999999999998 111.113 176.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 17.4 m -116.22 158.83 16.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.215 -0.902 . . . . 2.5299999999999998 108.827 172.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -79.8 59.86 3.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.454 0.645 . . . . 4.2000000000000002 110.721 -174.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 19.8 m -163.33 -45.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.231 -0.895 . . . . 3.8999999999999999 109.36 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.447 ' HA2' ' ND2' ' B' ' 62' ' ' ASN . . . 166.8 -123.67 1.16 Allowed Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 110.631 -0.988 . . . . 2.6000000000000001 110.631 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 79.3 m -80.68 162.37 24.2 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.985 -0.376 . . . . 1.74 109.985 174.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 46.9 mtp180 -78.46 135.33 37.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.567 -0.288 . . . . 3.9500000000000002 110.239 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 103.41 -36.19 4.51 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.918 -0.658 . . . . 1.6000000000000001 112.087 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . 0.44 HG22 ' H ' ' B' ' 73' ' ' SER . 33.8 mm -62.69 122.48 13.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 122.306 0.243 . . . . 1.6499999999999999 110.394 -178.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -61.42 -24.12 66.3 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.43 -0.35 . . . . 3.3199999999999998 111.571 -178.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.517 ' HA ' ' O ' ' B' ' 76' ' ' TRP . 19.7 m 66.03 11.14 7.55 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.553 -0.749 . . . . 4.6299999999999999 112.275 172.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -105.93 -36.01 7.12 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.509 -0.552 . . . . 3.0600000000000001 109.509 175.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -91.76 -24.18 19.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.842 -0.617 . . . . 3.5099999999999998 109.939 176.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' TRP . . . . . 0.546 ' CE3' ' HB3' ' B' ' 112' ' ' LEU . 97.8 m95 -135.14 139.95 45.04 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.622 -0.717 . . . . 3.1699999999999999 111.802 -172.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' ASN . . . . . 0.459 ' HB2' ' HG2' ' B' ' 115' ' ' LYS . 8.3 t30 -97.41 135.36 39.4 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.966 -1.124 . . . . 2.7000000000000002 107.966 168.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 25.3 t -131.21 135.86 47.76 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.369 0.507 . . . . 1.9299999999999999 112.369 -166.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . 0.443 ' CZ ' HG21 ' B' ' 111' ' ' VAL . 42.3 p90 -156.93 166.8 32.34 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.437 -0.801 . . . . 3.73 108.841 170.085 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.524 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 13.0 m -105.14 140.64 38.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.789 0.328 . . . . 1.6699999999999999 111.616 -169.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.506 ' O ' HG22 ' B' ' 109' ' ' VAL . 52.5 m -132.05 135.99 46.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.986 -0.552 . . . . 2.25 109.541 178.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 16.6 m -87.78 127.9 35.32 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.848 0.356 . . . . 2.7799999999999998 110.924 -177.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 7.0 t -91.39 166.96 12.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.412 -0.358 . . . . 2.6899999999999999 110.183 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 20.1 p-80 -138.7 144.12 39.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.464 -0.334 . . . . 3.71 111.522 -170.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.661 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 7.8 t -116.35 171.05 8.08 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.215 -0.661 . . . . 1.48 109.215 174.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.469 ' HA ' ' O ' ' B' ' 102' ' ' ILE . 97.4 m-85 -117.41 115.78 25.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.11 0.481 . . . . 1.75 110.604 -178.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . 0.586 HG12 HG12 ' A' ' 87' ' ' VAL . 27.3 m -112.77 148.99 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.643 -0.708 . . . . 1.0800000000000001 111.027 -176.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -75.25 111.06 10.11 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.263 -0.426 . . . . 3.8199999999999998 109.999 176.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.92 140.02 51.86 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.397 -0.365 . . . . 1.1299999999999999 110.634 178.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.406 HD22 ' H ' ' B' ' 43' ' ' ASN . 26.2 tp -78.0 124.85 28.52 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.401 -0.963 . . . . 1.45 108.401 174.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' B' ' 97' ' ' ALA . 69.7 p -123.81 154.03 40.17 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 120.979 -0.288 . . . . 1.1499999999999999 110.876 -176.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 6.4 t -114.11 109.79 18.99 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.802 0.81 . . . . 1.3200000000000001 109.726 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -74.03 -52.13 13.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.319 -0.855 . . . . 2.46 110.55 -175.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -136.31 -72.78 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.248 -0.433 . . . . 3.0899999999999999 110.74 176.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -128.17 7.65 6.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.639 0.257 . . . . 3.2999999999999998 111.035 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -130.23 153.98 48.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.798 0.332 . . . . 2.7400000000000002 110.805 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' B' ' 91' ' ' THR . . . -108.5 128.23 54.62 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.798 -0.637 . . . . 1.4399999999999999 110.608 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -135.44 148.13 49.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.249 -0.432 . . . . 1.3899999999999999 110.51 -177.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 69.9 m95 -75.91 124.69 27.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.168 -0.469 . . . . 2.3500000000000001 110.939 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 55.5 mmt-85 -126.82 164.39 21.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.834 -0.621 . . . . 3.48 110.693 178.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.431 ' O ' ' HA ' ' B' ' 30' ' ' ASP . 31.0 m-85 -110.44 106.08 15.28 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 107.66 -1.237 . . . . 1.98 107.66 176.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . 0.469 ' O ' ' HA ' ' B' ' 86' ' ' PHE . 38.6 pt -111.5 144.6 19.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.218 0.532 . . . . 0.85999999999999999 111.546 -168.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.661 ' HA ' ' O ' ' B' ' 85' ' ' THR . 28.8 ptt180 -79.76 123.17 27.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.875 -1.057 . . . . 3.7200000000000002 110.604 178.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 45.3 pt -121.69 143.03 35.52 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 116.006 -0.543 . . . . 0.82999999999999996 109.811 173.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . 0.765 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 38.5 m-20 -62.86 126.85 28.73 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.302 -0.629 . . . . 1.6899999999999999 109.302 178.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . 0.552 ' O ' ' HB ' ' B' ' 56' ' ' THR . 3.5 m -116.31 -36.43 4.03 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 112.728 0.64 . . . . 2.29 112.728 -172.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -156.63 158.64 37.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.8 0.333 . . . . 1.1499999999999999 110.872 -176.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . 0.524 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 52.4 t -105.67 117.53 34.26 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.95 -0.568 . . . . 1.5600000000000001 109.582 178.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.506 HG22 ' O ' ' B' ' 81' ' ' THR . 11.9 m -104.96 158.79 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.392 -0.367 . . . . 1.0800000000000001 110.095 -178.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 42.7 t -110.03 125.2 52.67 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.823 -0.436 . . . . 1.45 109.823 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.443 HG21 ' CZ ' ' B' ' 79' ' ' TYR . 2.9 m -92.37 154.51 3.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.328 -0.397 . . . . 1.52 110.233 -178.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.546 ' HB3' ' CE3' ' B' ' 76' ' ' TRP . 95.5 mt -125.91 138.46 53.78 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.125 0.488 . . . . 1.6699999999999999 110.193 175.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.469 ' O ' ' HA ' ' B' ' 76' ' ' TRP . 2.2 p -137.37 169.89 17.01 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.691 -0.686 . . . . 2.6200000000000001 109.648 176.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -88.23 10.72 18.59 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.527 0.566 . . . . 6.7199999999999998 112.527 -173.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . 0.459 ' HG2' ' HB2' ' B' ' 77' ' ' ASN . 56.3 mtpt 68.11 32.33 4.97 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.28 0.562 . . . . 4.5899999999999999 109.657 -178.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . 179.77 -53.13 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.659 -1.155 . . . . 4.5 108.795 -177.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 23.5 p -115.08 174.22 6.1 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.161 -0.927 . . . . 5.7400000000000002 110.07 175.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.62 -0.705 . . . . 8.6799999999999997 109.822 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.4 t . . . . . 0 N--CA 1.478 0.926 0 CA-C-O 120.911 0.386 . . . . 13.98 110.412 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -85.01 78.4 9.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.914 0.388 . . . . 12.75 110.281 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 18.9 p -118.01 33.77 5.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.852 0.358 . . . . 11.35 111.873 -178.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.544 ' HB2' ' SD ' ' A' ' 9' ' ' MET . 41.9 p-80 -134.59 97.55 14.22 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 121.185 0.517 . . . . 10.279999999999999 110.105 176.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -79.26 -3.72 13.27 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.547 2.165 . . . . 7.6299999999999999 113.158 -175.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.6 t 70.33 -58.46 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 123.035 0.534 . . . . 6.6500000000000004 112.143 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -77.38 61.29 2.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.078 0.466 . . . . 7.2699999999999996 111.244 -175.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.444 ' HA ' ' OE2' ' A' ' 11' ' ' GLU . 24.8 t60 178.62 -37.82 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.259 -0.882 . . . . 7.7199999999999998 108.849 177.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.544 ' SD ' ' HB2' ' A' ' 4' ' ' HIS . 25.1 ptm -82.98 -17.23 44.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.465 -0.789 . . . . 5.3399999999999999 110.433 178.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.412 ' O ' ' HB ' ' B' ' 111' ' ' VAL . . . -111.83 17.27 25.28 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.831 -0.699 . . . . 3.98 112.019 178.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.444 ' OE2' ' HA ' ' A' ' 8' ' ' HIS . 41.9 mt-10 -89.93 46.69 1.38 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.06 0.457 . . . . 4.6299999999999999 110.797 -179.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -100.32 78.25 2.03 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.286 -0.635 . . . . 3.6499999999999999 109.286 174.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.1 m -59.72 127.25 31.04 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.78 -1.1 . . . . 2.4199999999999999 111.319 -176.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.6 m -68.33 -25.68 32.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.025 -0.534 . . . . 1.4099999999999999 110.57 176.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 74.0 m -127.91 126.44 41.52 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.648 -0.871 . . . . 1.75 108.648 173.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.587 ' HB3' ' HB3' ' A' ' 60' ' ' ALA . 10.7 t70 -66.23 115.57 6.35 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.161 0.505 . . . . 2.8700000000000001 110.033 -175.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.524 ' OG ' ' HB3' ' A' ' 108' ' ' CYS . 23.8 m -113.29 146.56 39.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.803 -0.635 . . . . 1.72 111.485 -172.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 56' ' ' THR . 2.8 p -119.54 116.12 49.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.828 -0.624 . . . . 1.51 110.185 174.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.8 m -101.85 121.65 42.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.103 -0.499 . . . . 1.6599999999999999 110.839 -178.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.4 t -130.55 138.59 53.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.23 -0.441 . . . . 1.03 110.361 -179.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -86.94 95.36 9.88 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.805 -0.813 . . . . 1.6100000000000001 108.805 171.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 64.9 t -86.87 118.72 33.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.307 -0.86 . . . . 0.95999999999999996 110.873 -173.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -108.08 11.13 37.35 Favored Glycine 0 N--CA 1.444 -0.833 0 N-CA-C 111.058 -0.817 . . . . 1.27 111.058 175.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -113.26 14.19 19.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.644 0.259 . . . . 3.02 111.036 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.507 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 81.1 tttt -77.76 101.21 6.59 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.357 -0.609 . . . . 1.3200000000000001 109.357 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.7 t -96.04 -5.05 41.92 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.195 -0.457 . . . . 1.8200000000000001 111.768 -172.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 1.0 OUTLIER -142.99 135.59 27.62 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.7 0.286 . . . . 1.01 111.053 178.511 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.33 166.14 27.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.215 -0.448 . . . . 0.79000000000000004 110.735 178.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.5 m -100.44 118.06 35.9 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.201 -0.454 . . . . 1.02 110.533 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -70.12 163.38 26.39 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.046 -0.525 . . . . 1.8500000000000001 109.673 175.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.3 tt -60.05 -26.02 34.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.937 0.399 . . . . 1.3300000000000001 111.243 -178.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -80.49 -7.44 59.18 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.454 -0.339 . . . . 2.2200000000000002 111.145 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.58 12.75 53.09 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.697 -0.763 . . . . 1.25 112.08 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -84.3 132.11 34.65 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.51 -0.181 . . . . 2.1400000000000001 110.51 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -82.38 114.1 20.6 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.226 -1.028 . . . . 2.1899999999999999 108.226 170.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 27' ' ' THR . 26.9 m -114.79 152.9 16.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-O 121.041 0.448 . . . . 1.02 111.151 -175.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.454 ' HB ' ' CG2' ' A' ' 92' ' ' THR . 23.8 m -85.44 106.43 16.79 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.338 -0.846 . . . . 1.04 109.643 178.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.507 ' HB ' ' O ' ' A' ' 25' ' ' LYS . 43.0 t -80.75 136.02 24.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.836 -0.62 . . . . 1.1000000000000001 109.915 -178.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 76.5 mt -86.84 113.97 23.1 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.958 -0.565 . . . . 1.9099999999999999 110.058 -178.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.517 ' O ' ' HA ' ' A' ' 50' ' ' ARG . . . -64.58 -37.1 86.38 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 108.808 -0.812 . . . . 2.1800000000000002 108.808 174.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.427 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 45.2 mm-40 -106.14 114.43 28.55 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 114.612 -1.176 . . . . 3.5899999999999999 108.212 172.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.591 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 35.6 m -100.0 135.65 34.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 C-N-CA 120.494 -0.483 . . . . 2.3999999999999999 110.741 -178.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -95.44 98.76 10.79 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.889 -0.596 . . . . 3.25 109.71 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.7 mt -115.28 96.26 4.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.281 -0.418 . . . . 2.77 110.089 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 58.91 48.37 11.15 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.849 -0.614 . . . . 3.8399999999999999 110.698 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 67.68 16.85 9.84 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.083 -0.962 . . . . 4.7599999999999998 111.433 178.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.2 t -113.71 114.84 26.92 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.455 -0.943 . . . . 3.3300000000000001 108.455 173.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.591 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 21.3 t -109.21 124.03 65.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.274 -0.421 . . . . 2.3700000000000001 110.816 -174.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.448 ' O ' HG22 ' A' ' 42' ' ' VAL . 35.7 p90 -157.1 167.72 29.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.637 0.256 . . . . 4.1299999999999999 110.751 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.517 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 90.7 mtm180 -87.97 128.56 35.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.201 0.524 . . . . 4.8399999999999999 110.782 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.528 HE21 HG21 ' A' ' 42' ' ' VAL . 49.9 mm-40 -77.94 -38.71 44.76 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.342 -0.844 . . . . 4.5599999999999996 112.522 -176.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 68.88 143.56 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.827 0 O-C-N 123.724 0.64 . . . . 2.46 111.405 -176.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -130.6 142.03 50.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.727 -0.669 . . . . 1.1599999999999999 110.239 176.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -85.83 94.85 9.25 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.894 0.378 . . . . 3.5600000000000001 110.431 -176.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -101.0 113.73 27.0 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.915 -0.584 . . . . 1.49 110.35 -178.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 90.9 m -109.65 111.86 23.59 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.61 -0.515 . . . . 1.0700000000000001 109.61 175.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -106.35 147.42 29.25 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.121 -0.49 . . . . 2.48 111.222 -173.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 36.1 m -81.9 88.7 6.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.724 -0.671 . . . . 1.73 109.487 176.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -75.8 -18.4 59.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.797 0.332 . . . . 3.48 110.825 -177.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.587 ' HB3' ' HB3' ' A' ' 16' ' ' ASP . . . -142.46 86.1 1.94 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.038 0.447 . . . . 2.5800000000000001 110.649 175.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.5 m -79.86 131.76 35.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.849 -0.614 . . . . 2.7599999999999998 109.718 177.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.5 m120 60.45 67.88 1.49 Allowed Pre-proline 0 N--CA 1.468 0.434 0 O-C-N 123.557 0.535 . . . . 2.5899999999999999 110.206 -175.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.07 -33.2 91.98 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 122.586 2.191 . . . . 2.5699999999999998 112.198 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.5 m -98.22 154.6 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.119 -0.492 . . . . 2.5299999999999998 109.897 177.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -81.56 70.76 8.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.384 0.611 . . . . 4.1900000000000004 110.063 -178.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.6 p -174.76 -70.59 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.979 -1.01 . . . . 3.8999999999999999 109.43 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.21 -91.17 0.08 OUTLIER Glycine 0 N--CA 1.443 -0.852 0 CA-C-N 115.733 -0.667 . . . . 2.6000000000000001 111.647 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 97.0 m -134.54 157.21 47.12 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.825 0.345 . . . . 1.73 110.783 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -62.08 114.2 3.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.458 -0.792 . . . . 3.9399999999999999 111.078 -177.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 99.78 -22.47 40.25 Favored Glycine 0 N--CA 1.454 -0.139 0 C-N-CA 120.777 -0.725 . . . . 1.6100000000000001 112.984 175.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 36.6 mm -77.52 138.43 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.791 0.329 . . . . 1.6499999999999999 111.393 -177.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -71.37 95.93 1.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.04 -0.726 . . . . 3.3199999999999998 109.04 171.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.2 t -83.47 13.46 4.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.206 -0.452 . . . . 4.6299999999999999 111.083 -174.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -95.72 -41.89 8.65 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.038 0.447 . . . . 3.0600000000000001 109.977 177.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -95.79 -17.79 20.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.892 -0.595 . . . . 3.5099999999999998 110.514 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -123.41 144.41 49.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.964 -0.562 . . . . 3.1699999999999999 111.149 -177.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.422 ' HB3' ' HB3' ' A' ' 113' ' ' SER . 31.1 t30 -100.45 134.71 43.0 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.824 -1.176 . . . . 2.6899999999999999 107.824 169.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.628 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 4.9 m -129.38 134.16 47.73 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.802 0.334 . . . . 1.9299999999999999 111.254 -173.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -149.22 147.03 27.92 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.039 -0.528 . . . . 3.73 110.277 175.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 31.9 m -88.13 124.37 33.73 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.312 -0.858 . . . . 1.6699999999999999 110.369 -174.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 33.1 m -131.93 134.77 46.04 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.585 -0.734 . . . . 2.2400000000000002 109.425 -178.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.443 ' HB ' ' HB3' ' A' ' 105' ' ' ASP . 15.3 p -78.34 137.65 38.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.919 0.39 . . . . 2.7799999999999998 111.218 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.1 p -86.57 122.72 30.89 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 109.743 -0.466 . . . . 2.6899999999999999 109.743 176.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.528 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 18.5 p-80 -104.85 121.93 44.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.131 -0.486 . . . . 3.71 110.411 -177.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.582 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 7.4 t -112.62 160.86 17.45 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.815 -0.809 . . . . 1.48 108.815 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.406 ' CE1' ' HB3' ' A' ' 103' ' ' ARG . 97.7 m-85 -102.89 117.87 35.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.059 0.456 . . . . 1.75 110.621 -175.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.5 m -109.96 153.39 11.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.508 -0.769 . . . . 1.0800000000000001 110.384 -177.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -91.56 105.33 17.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.466 -0.788 . . . . 3.8199999999999998 109.461 -176.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.38 144.15 51.1 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.068 0.461 . . . . 1.1299999999999999 111.708 -174.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 26.8 tp -76.86 104.43 7.35 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.334 -0.617 . . . . 1.45 109.334 175.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.419 HG22 ' HA ' ' A' ' 38' ' ' VAL . 58.0 p -121.09 154.8 35.66 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.909 -0.587 . . . . 1.1399999999999999 109.452 -178.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.454 ' CG2' ' HB ' ' A' ' 37' ' ' THR . 10.6 t -96.06 121.88 38.29 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 119.785 -0.766 . . . . 1.3200000000000001 109.757 178.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -65.45 -26.59 68.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.755 -1.111 . . . . 2.4700000000000002 109.844 -178.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -176.37 -64.31 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.801 -1.185 . . . . 3.0899999999999999 107.801 178.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -137.13 30.65 2.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.561 0.696 . . . . 3.29 109.418 172.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -144.12 117.94 9.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.143 -0.935 . . . . 2.7400000000000002 109.857 -176.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.61 125.57 29.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.32 -0.4 . . . . 1.4399999999999999 110.897 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.41 150.03 38.49 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.011 -0.541 . . . . 1.3799999999999999 110.043 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -79.58 100.55 7.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.978 0.418 . . . . 2.3500000000000001 110.215 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -100.24 169.0 9.43 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.833 -0.621 . . . . 3.48 110.15 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -106.77 101.5 10.94 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.748 -0.834 . . . . 1.98 108.748 178.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 40.0 pt -112.29 142.63 24.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.168 0.508 . . . . 0.85999999999999999 110.702 -172.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.582 ' HA ' ' O ' ' A' ' 85' ' ' THR . 7.5 ppt_? -82.78 132.02 35.18 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.727 -0.67 . . . . 3.71 110.985 -177.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.528 ' O ' ' HA ' ' A' ' 84' ' ' HIS . 47.5 pt -123.0 145.89 29.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.444 -0.798 . . . . 0.82999999999999996 109.064 172.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.443 ' HB3' ' HB ' ' A' ' 82' ' ' THR . 17.2 m-20 -85.11 97.22 9.75 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.694 -0.854 . . . . 1.6899999999999999 108.694 178.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.8 t -91.73 -13.76 31.1 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.908 -0.587 . . . . 2.29 112.236 -167.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -158.41 164.14 36.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.575 0.226 . . . . 1.1399999999999999 110.839 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.524 ' HB3' ' OG ' ' A' ' 17' ' ' SER . 44.5 t -122.49 115.82 22.87 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.315 -0.624 . . . . 1.5600000000000001 109.315 177.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 19.9 m -117.89 153.3 19.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.948 0.404 . . . . 1.0700000000000001 111.007 -174.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.628 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 41.9 t -94.66 114.8 26.79 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.942 -0.762 . . . . 1.45 108.942 173.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.425 ' HB ' ' O ' ' B' ' 10' ' ' GLY . 34.4 m -96.16 142.47 13.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 C-N-CA 120.569 -0.452 . . . . 1.52 109.92 -179.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' B' ' 12' ' ' PHE . 58.9 mt -102.36 139.53 37.85 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.247 0.546 . . . . 1.6699999999999999 110.661 -177.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.422 ' HB3' ' HB3' ' A' ' 77' ' ' ASN . 8.8 t -125.14 144.56 50.37 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 108.416 -0.957 . . . . 2.6200000000000001 108.416 173.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -78.0 9.53 3.57 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.529 -0.305 . . . . 6.7300000000000004 111.256 -175.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt 75.4 -61.56 0.47 Allowed 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.335 0.654 . . . . 4.5899999999999999 110.622 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -87.59 54.76 3.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.39 0.614 . . . . 4.5 109.984 176.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.437 ' O ' ' HD2' ' A' ' 118' ' ' ARG . 2.7 p -92.81 -4.04 53.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.846 -0.615 . . . . 5.7400000000000002 111.948 -176.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.437 ' HD2' ' O ' ' A' ' 117' ' ' THR . 13.8 mmm180 . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.493 -0.765 . . . . 8.6699999999999999 109.4 178.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 33.0 t . . . . . 0 N--CA 1.481 1.091 0 CA-C-O 120.8 0.334 . . . . 13.98 110.599 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.8 m -84.91 77.82 10.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.878 0.371 . . . . 12.76 110.355 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 18.5 p -117.61 33.36 5.67 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.88 0.371 . . . . 11.359999999999999 111.764 -177.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . 0.55 ' HB2' ' SD ' ' B' ' 9' ' ' MET . 41.7 p-80 -134.33 97.43 14.71 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 121.323 0.582 . . . . 10.289999999999999 110.279 176.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -78.96 -3.79 13.46 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.551 2.167 . . . . 7.6299999999999999 113.148 -175.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 69.1 t 70.27 -58.71 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 123.216 0.606 . . . . 6.6500000000000004 112.089 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -76.89 60.99 1.86 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.174 0.511 . . . . 7.2699999999999996 111.337 -175.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . 0.424 ' HA ' ' OE2' ' B' ' 11' ' ' GLU . 24.7 t60 178.73 -37.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.241 -0.89 . . . . 7.7199999999999998 108.807 177.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . 0.55 ' SD ' ' HB2' ' B' ' 4' ' ' HIS . 25.3 ptm -83.07 -17.08 44.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.37 -0.832 . . . . 5.3399999999999999 110.442 178.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.425 ' O ' ' HB ' ' A' ' 111' ' ' VAL . . . -111.97 17.45 24.79 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.926 -0.654 . . . . 3.98 112.1 178.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.424 ' OE2' ' HA ' ' B' ' 8' ' ' HIS . 42.8 mt-10 -89.98 46.35 1.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.347 0.594 . . . . 4.6200000000000001 110.984 -179.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . 0.415 ' HB2' ' O ' ' A' ' 112' ' ' LEU . 44.9 m-85 -100.08 77.94 2.04 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.523 0.677 . . . . 3.6499999999999999 109.265 174.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 15.9 m -59.03 127.33 31.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.75 -1.114 . . . . 2.4199999999999999 111.329 -176.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 28.9 m -68.55 -25.69 31.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.998 -0.546 . . . . 1.4099999999999999 110.509 176.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 75.1 m -127.91 126.68 41.97 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.745 -0.835 . . . . 1.75 108.745 173.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . 0.587 ' HB3' ' HB3' ' B' ' 60' ' ' ALA . 9.1 t70 -66.43 115.46 6.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.084 0.469 . . . . 2.8700000000000001 109.974 -175.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.522 ' OG ' ' HB3' ' B' ' 108' ' ' CYS . 23.1 m -113.31 146.3 39.64 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.76 -0.655 . . . . 1.72 111.495 -172.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' B' ' 56' ' ' THR . 2.8 p -119.5 115.79 48.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.916 -0.584 . . . . 1.51 110.22 174.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.1 m -101.58 122.01 43.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.064 -0.517 . . . . 1.6599999999999999 110.792 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 62.0 t -130.74 138.63 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.066 -0.515 . . . . 1.03 110.418 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -87.0 95.38 9.91 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.79 -0.819 . . . . 1.6100000000000001 108.79 171.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 65.9 t -86.87 118.82 33.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 115.433 -0.803 . . . . 0.95999999999999996 110.877 -173.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -107.91 10.78 37.77 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 111.141 -0.784 . . . . 1.27 111.141 175.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -113.33 14.33 19.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 3.0099999999999998 110.894 -178.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.494 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 81.0 tttt -77.69 101.29 6.55 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.378 -0.601 . . . . 1.3200000000000001 109.378 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 9.6 t -96.2 -5.37 40.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.296 -0.411 . . . . 1.8200000000000001 111.828 -172.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' B' ' 36' ' ' VAL . 1.2 p -142.48 135.81 28.78 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.795 0.331 . . . . 1.0 111.077 178.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.18 166.23 26.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.278 -0.419 . . . . 0.79000000000000004 110.772 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 3.6 m -100.52 117.96 35.74 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.152 -0.476 . . . . 1.01 110.417 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -70.07 163.4 26.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.112 -0.495 . . . . 1.8400000000000001 109.669 175.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.3 tt -59.86 -25.76 33.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.003 0.43 . . . . 1.3300000000000001 111.417 -178.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -80.53 -7.97 59.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.365 -0.379 . . . . 2.2200000000000002 111.19 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.9 12.57 52.46 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.849 -0.691 . . . . 1.25 112.205 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -83.94 132.27 34.78 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.579 -0.156 . . . . 2.1400000000000001 110.579 -179.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -82.73 113.77 20.62 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.296 -1.002 . . . . 2.1899999999999999 108.296 170.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' B' ' 27' ' ' THR . 27.1 m -114.58 152.87 16.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 116.211 -0.449 . . . . 1.01 111.154 -175.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . 0.457 ' HB ' ' CG2' ' B' ' 92' ' ' THR . 25.9 m -85.34 106.57 16.82 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.271 -0.877 . . . . 1.04 109.552 178.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.494 ' HB ' ' O ' ' B' ' 25' ' ' LYS . 42.7 t -80.66 135.96 24.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 115.849 -0.614 . . . . 1.1000000000000001 109.892 -178.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 76.6 mt -86.78 114.04 23.11 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.039 -0.528 . . . . 1.9099999999999999 110.105 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.525 ' O ' ' HA ' ' B' ' 50' ' ' ARG . . . -64.5 -37.18 86.66 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 108.766 -0.827 . . . . 2.1800000000000002 108.766 174.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.418 ' HB3' ' CG1' ' B' ' 48' ' ' VAL . 42.2 mm-40 -106.2 114.41 28.53 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.639 -1.164 . . . . 3.5899999999999999 108.334 172.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.601 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 35.4 m -99.75 135.72 34.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 120.984 0.421 . . . . 2.3900000000000001 110.74 -178.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -95.57 98.76 10.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.961 -0.563 . . . . 3.25 109.615 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 66.6 mt -115.19 96.12 4.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.227 -0.442 . . . . 2.77 110.099 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . 0.415 ' N ' HD22 ' B' ' 45' ' ' ASN . 0.9 OUTLIER 59.01 48.66 10.52 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.681 -0.69 . . . . 3.8399999999999999 110.523 179.377 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 67.51 16.73 9.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.202 -0.908 . . . . 4.7599999999999998 111.447 178.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 14.3 t -113.59 115.02 27.27 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.451 -0.944 . . . . 3.3300000000000001 108.451 173.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.601 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 20.2 t -109.63 123.34 65.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.251 -0.431 . . . . 2.3799999999999999 110.882 -174.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . 0.459 ' O ' HG22 ' B' ' 42' ' ' VAL . 36.0 p90 -156.51 167.75 29.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.496 -0.32 . . . . 4.1299999999999999 110.787 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.525 ' HA ' ' O ' ' B' ' 40' ' ' ALA . 90.5 mtm180 -88.05 128.5 35.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 4.8399999999999999 110.871 -179.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.528 HE21 HG21 ' B' ' 42' ' ' VAL . 49.9 mm-40 -77.88 -38.52 45.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.543 -0.753 . . . . 4.5599999999999996 112.638 -176.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 68.81 143.5 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.636 0 O-C-N 123.658 0.599 . . . . 2.4500000000000002 111.317 -176.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -130.63 142.04 50.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.726 -0.67 . . . . 1.1599999999999999 110.128 176.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -85.81 94.97 9.27 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.963 0.411 . . . . 3.5600000000000001 110.316 -176.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -101.2 113.22 26.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.897 -0.592 . . . . 1.49 110.339 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 91.5 m -108.98 112.1 24.13 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.69 -0.485 . . . . 1.0700000000000001 109.69 175.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -106.56 147.07 29.88 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.171 -0.468 . . . . 2.48 111.187 -173.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 36.0 m -81.29 89.08 6.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.632 -0.713 . . . . 1.73 109.449 176.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -76.03 -18.79 59.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.644 0.259 . . . . 3.4900000000000002 110.743 -177.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.587 ' HB3' ' HB3' ' B' ' 16' ' ' ASP . . . -142.46 86.34 1.95 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.286 -0.416 . . . . 2.5800000000000001 110.517 175.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 16.4 m -79.98 132.24 35.98 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.872 -0.604 . . . . 2.7599999999999998 109.637 177.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 16.7 m120 60.14 67.87 1.57 Allowed Pre-proline 0 N--CA 1.467 0.392 0 O-C-N 123.445 0.466 . . . . 2.5899999999999999 110.44 -174.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -61.51 -32.29 88.09 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.608 2.206 . . . . 2.5699999999999998 112.234 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 24.0 m -98.96 154.6 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.128 -0.487 . . . . 2.5299999999999998 109.887 177.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -81.41 70.17 8.21 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-O 121.371 0.605 . . . . 4.2000000000000002 110.283 -178.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 13.8 p -174.18 -70.01 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.055 -0.975 . . . . 3.8999999999999999 109.466 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.87 -91.08 0.08 OUTLIER Glycine 0 N--CA 1.442 -0.965 0 CA-C-N 115.493 -0.776 . . . . 2.6000000000000001 111.68 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 96.6 m -134.64 157.21 47.2 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.742 0.306 . . . . 1.74 110.8 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -61.98 114.09 3.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.591 -0.731 . . . . 3.9500000000000002 111.105 -177.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 99.78 -22.32 40.95 Favored Glycine 0 N--CA 1.454 -0.137 0 C-N-CA 120.671 -0.776 . . . . 1.6000000000000001 113.046 175.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 36.9 mm -77.7 138.1 21.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.721 0.296 . . . . 1.6499999999999999 111.264 -177.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -71.1 95.81 1.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.053 -0.721 . . . . 3.3199999999999998 109.053 171.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 12.4 t -83.54 13.89 4.19 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.166 -0.47 . . . . 4.6299999999999999 110.999 -174.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -96.31 -41.87 8.43 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.87 -0.418 . . . . 3.0600000000000001 109.87 177.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -95.65 -17.88 20.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.925 -0.579 . . . . 3.5099999999999998 110.558 177.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -123.65 144.12 49.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.952 -0.567 . . . . 3.1699999999999999 111.113 -177.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' ASN . . . . . 0.407 ' HB3' ' HB3' ' B' ' 113' ' ' SER . 29.9 t30 -100.06 134.6 42.73 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 107.816 -1.179 . . . . 2.7000000000000002 107.816 169.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.632 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 5.1 m -129.2 134.41 47.99 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 120.846 0.355 . . . . 1.9299999999999999 111.113 -173.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -149.38 147.08 27.87 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 116.071 -0.513 . . . . 3.73 110.252 175.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 32.8 m -88.36 124.17 33.65 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.403 -0.817 . . . . 1.6699999999999999 110.525 -173.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 34.6 m -131.8 135.04 46.45 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.57 -0.741 . . . . 2.25 109.337 -178.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.472 ' HB ' ' HB3' ' B' ' 105' ' ' ASP . 13.9 p -78.48 137.81 38.13 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.845 0.355 . . . . 2.7799999999999998 111.139 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 20.5 p -86.58 122.53 30.63 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 109.766 -0.457 . . . . 2.6899999999999999 109.766 176.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' HIS . . . . . 0.51 ' HA ' ' O ' ' B' ' 104' ' ' ILE . 18.7 p-80 -104.57 121.89 44.45 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.099 -0.501 . . . . 3.71 110.521 -178.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.595 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 7.2 t -112.55 160.88 17.38 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.865 -0.791 . . . . 1.48 108.865 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.406 ' CE1' ' HB3' ' B' ' 103' ' ' ARG . 97.5 m-85 -102.91 117.91 35.65 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.988 0.423 . . . . 1.75 110.477 -175.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 27.6 m -110.02 153.36 11.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.625 -0.716 . . . . 1.0800000000000001 110.287 -177.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -91.63 105.19 17.55 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.401 -0.818 . . . . 3.8199999999999998 109.434 -176.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.33 144.19 51.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.964 0.411 . . . . 1.1299999999999999 111.706 -174.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 27.0 tp -76.91 104.46 7.42 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.313 -0.625 . . . . 1.45 109.313 175.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . 0.427 HG22 ' HA ' ' B' ' 38' ' ' VAL . 60.1 p -121.21 154.79 35.81 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.854 -0.612 . . . . 1.1499999999999999 109.401 -178.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.457 ' CG2' ' HB ' ' B' ' 37' ' ' THR . 10.8 t -96.03 121.78 38.16 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 119.885 -0.726 . . . . 1.3200000000000001 109.645 179.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -65.58 -26.54 67.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.784 -1.098 . . . . 2.46 109.941 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -176.35 -64.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 107.894 -1.15 . . . . 3.0899999999999999 107.894 179.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -137.29 30.93 2.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.662 0.744 . . . . 3.2999999999999998 109.243 171.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -144.03 118.12 9.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.077 -0.965 . . . . 2.7400000000000002 109.905 -175.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.94 125.67 30.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.352 -0.385 . . . . 1.4399999999999999 110.633 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.72 149.56 37.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.804 -0.634 . . . . 1.3899999999999999 110.201 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -79.11 100.63 7.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.034 0.445 . . . . 2.3500000000000001 110.387 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -100.42 168.84 9.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.833 -0.621 . . . . 3.48 110.071 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -106.65 101.43 10.88 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.699 -0.852 . . . . 1.98 108.699 178.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 40.4 pt -112.22 142.61 24.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.196 0.522 . . . . 0.85999999999999999 110.845 -172.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.595 ' HA ' ' O ' ' B' ' 85' ' ' THR . 7.5 ppt_? -82.8 131.95 35.18 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.712 -0.676 . . . . 3.7200000000000002 110.866 -177.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' ILE . . . . . 0.51 ' O ' ' HA ' ' B' ' 84' ' ' HIS . 47.8 pt -122.97 145.84 29.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.242 -0.89 . . . . 0.82999999999999996 109.031 172.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . 0.472 ' HB3' ' HB ' ' B' ' 82' ' ' THR . 16.6 m-20 -85.39 97.4 9.97 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.735 -0.839 . . . . 1.6899999999999999 108.735 178.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 10.2 t -91.88 -13.72 30.83 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.781 -0.645 . . . . 2.29 112.104 -167.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -158.17 164.4 36.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.544 0.211 . . . . 1.1499999999999999 110.873 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . 0.522 ' HB3' ' OG ' ' B' ' 17' ' ' SER . 44.4 t -122.74 115.77 22.61 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.278 -0.638 . . . . 1.5600000000000001 109.278 177.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 19.7 m -117.86 153.4 19.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.88 0.371 . . . . 1.0800000000000001 110.928 -174.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.632 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 41.5 t -94.86 114.95 26.87 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.924 -0.769 . . . . 1.45 108.924 173.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.412 ' HB ' ' O ' ' A' ' 10' ' ' GLY . 34.7 m -96.24 142.44 13.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 109.784 -0.45 . . . . 1.52 109.784 -179.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 58.6 mt -102.35 139.5 37.87 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.221 0.534 . . . . 1.6699999999999999 110.697 -177.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.407 ' HB3' ' HB3' ' B' ' 77' ' ' ASN . 8.7 t -125.02 144.42 50.4 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 108.523 -0.917 . . . . 2.6200000000000001 108.523 173.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -77.89 9.3 3.68 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.546 -0.297 . . . . 6.7199999999999998 111.353 -175.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt 75.47 -61.47 0.47 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.542 0.737 . . . . 4.5899999999999999 110.385 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -87.34 54.13 3.05 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.209 0.528 . . . . 4.5 110.062 176.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . 0.434 ' O ' ' HD2' ' B' ' 118' ' ' ARG . 2.5 p -92.21 -4.2 54.48 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.893 -0.594 . . . . 5.7400000000000002 111.874 -176.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' ARG . . . . . 0.434 ' HD2' ' O ' ' B' ' 117' ' ' THR . 13.8 mmm180 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.464 -0.779 . . . . 8.6799999999999997 109.631 178.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 121.069 0.462 . . . . 13.98 110.758 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 p -143.0 135.8 27.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.095 -0.502 . . . . 12.75 110.043 178.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.1 t -158.79 158.62 33.9 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.626 -0.509 . . . . 11.35 109.626 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -140.9 79.06 19.05 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-O 120.929 0.395 . . . . 10.279999999999999 111.11 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -70.36 64.38 2.15 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 123.162 2.575 . . . . 7.6299999999999999 111.431 176.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.9 t 72.05 -12.02 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 115.337 -0.847 . . . . 6.6500000000000004 111.287 -178.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -76.8 20.96 0.22 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.12 0.486 . . . . 7.2699999999999996 111.776 -177.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -153.87 21.5 0.52 Allowed 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 107.887 -1.153 . . . . 7.7199999999999998 107.887 171.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 53.9 mtp -131.72 -40.4 1.08 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.674 -1.148 . . . . 5.3399999999999999 109.933 -175.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -129.51 38.33 2.02 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-N 115.588 -0.733 . . . . 3.98 112.128 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.35 28.16 8.38 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.029 0.442 . . . . 4.6299999999999999 110.8 -179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -73.15 120.43 18.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.754 -0.657 . . . . 3.6499999999999999 109.844 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.9 p -77.46 144.18 37.98 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.986 -0.552 . . . . 2.4199999999999999 110.329 -178.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.3 m -61.91 -20.32 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-N 115.928 -0.578 . . . . 1.4099999999999999 111.709 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.488 ' HB2' ' SG ' ' A' ' 110' ' ' CYS . 28.7 t -142.78 150.3 39.83 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.9 -0.778 . . . . 1.75 108.9 177.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -82.06 138.97 34.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.146 0.498 . . . . 2.8700000000000001 110.811 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.0 p -138.46 150.91 46.92 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.955 -0.566 . . . . 1.72 111.113 -175.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.522 ' HB ' ' NE ' ' A' ' 59' ' ' ARG . 4.6 p -123.5 118.29 53.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.05 -0.523 . . . . 1.51 110.441 176.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.5 m -93.95 124.34 37.9 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.234 -0.439 . . . . 1.6599999999999999 110.454 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 67.9 t -119.67 137.84 52.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.225 -0.443 . . . . 1.03 110.729 -177.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.428 ' HA ' ' O ' ' A' ' 53' ' ' PHE . 95.3 m95 -96.63 96.63 8.77 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.219 -0.66 . . . . 1.6100000000000001 109.219 173.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.4 t -77.48 121.04 29.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.728 -0.669 . . . . 0.95999999999999996 109.975 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.11 8.03 33.11 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.509 -0.853 . . . . 1.27 112.452 -178.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -148.18 47.18 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 3.02 110.964 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -71.89 131.78 43.48 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.357 -0.608 . . . . 1.3200000000000001 109.357 177.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.6 t -103.77 -34.17 8.66 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.162 0.43 . . . . 1.8200000000000001 112.162 -172.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.0 p -140.66 148.03 40.2 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.009 -0.432 . . . . 1.01 111.587 -177.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -149.16 170.52 18.24 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.827 -0.624 . . . . 0.79000000000000004 110.209 175.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.6 m -108.71 119.34 39.24 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.053 -0.522 . . . . 1.02 110.29 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.484 ' OD1' ' HB3' ' A' ' 100' ' ' ARG . 19.6 t70 -68.59 159.78 31.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.5 -0.773 . . . . 1.8500000000000001 109.677 177.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.0 tt -58.87 -21.39 19.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 122.722 0.409 . . . . 1.3300000000000001 111.566 -178.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -82.9 -9.6 59.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.909 0.385 . . . . 2.2200000000000002 111.032 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.29 16.86 36.17 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.827 -0.701 . . . . 1.25 112.501 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -94.05 140.81 29.26 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.583 0.23 . . . . 2.1400000000000001 110.809 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -85.84 115.27 23.37 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.103 -0.703 . . . . 2.1899999999999999 109.103 173.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -117.9 150.96 19.93 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 116.076 -0.511 . . . . 1.02 111.125 -175.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.468 ' HB ' ' CG2' ' A' ' 92' ' ' THR . 17.8 m -83.37 118.32 23.62 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 115.539 -0.755 . . . . 1.04 109.493 178.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.468 ' HA ' HG22 ' A' ' 91' ' ' THR . 97.5 t -82.61 135.7 24.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 116.119 -0.491 . . . . 1.1000000000000001 110.681 -175.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 66.1 mt -104.56 105.67 15.86 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 109.345 -0.613 . . . . 1.9099999999999999 109.345 178.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.54 -28.41 69.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.531 0.681 . . . . 2.1800000000000002 109.825 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.416 ' HG2' ' HG2' ' A' ' 50' ' ' ARG . 37.5 mt-10 -106.64 126.19 51.96 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.886 -1.052 . . . . 3.5899999999999999 108.871 174.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.2 m -88.85 122.7 40.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 121.461 0.648 . . . . 2.3999999999999999 110.363 -176.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -86.88 98.34 11.16 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.295 -0.866 . . . . 3.25 110.131 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.428 ' HB ' ' HB2' ' A' ' 47' ' ' SER . 77.6 mt -117.06 148.31 19.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 108.222 -1.029 . . . . 2.77 108.222 176.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -58.47 108.93 0.69 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.749 0.309 . . . . 3.8399999999999999 110.692 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 71.19 28.39 3.06 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.198 -0.91 . . . . 4.7599999999999998 110.896 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.428 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 67.7 m -157.76 114.29 2.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.892 0.377 . . . . 3.3300000000000001 110.76 175.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 52.1 t -132.36 115.78 26.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.245 -0.434 . . . . 2.3700000000000001 109.923 177.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -149.38 157.5 43.37 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.736 0.303 . . . . 4.1299999999999999 111.039 -178.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.416 ' HG2' ' HG2' ' A' ' 41' ' ' GLU . 62.3 mtp180 -84.95 124.94 32.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.802 -0.636 . . . . 4.8399999999999999 111.005 -176.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.496 ' HB3' ' HD2' ' B' ' 88' ' ' LYS . 15.9 mm100 -112.61 100.84 9.04 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.66 -0.7 . . . . 4.5599999999999996 109.887 179.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -67.98 167.7 13.28 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.253 -0.431 . . . . 2.46 111.545 -173.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.428 ' O ' ' HA ' ' A' ' 21' ' ' TRP . 80.0 m-85 -124.76 136.73 54.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.958 -0.564 . . . . 1.1599999999999999 110.806 -179.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -94.11 101.59 13.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.313 -0.403 . . . . 3.5600000000000001 110.101 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -121.04 121.87 38.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.933 0.396 . . . . 1.49 110.536 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 62.2 m -106.82 127.95 53.84 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.002 -0.545 . . . . 1.0700000000000001 110.516 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -112.24 157.84 20.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.201 -0.454 . . . . 2.48 110.3 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.453 ' SG ' HG23 ' A' ' 82' ' ' THR . 70.6 m -79.39 125.15 29.16 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.239 -0.437 . . . . 1.73 110.363 179.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.522 ' NE ' ' HB ' ' A' ' 18' ' ' VAL . 87.3 mtt180 -81.51 88.68 6.16 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.936 -0.394 . . . . 3.48 109.936 176.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 60.28 86.91 0.09 Allowed 'General case' 0 C--O 1.233 0.201 0 O-C-N 123.87 0.731 . . . . 2.5800000000000001 110.308 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.6 m -52.69 135.79 34.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.662 -0.699 . . . . 2.7599999999999998 111.546 -176.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 70.97 81.46 0.18 Allowed Pre-proline 0 C--O 1.234 0.258 0 CA-C-N 115.375 -0.83 . . . . 2.5899999999999999 110.312 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.51 -27.08 81.63 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.007 2.471 . . . . 2.5699999999999998 112.95 -177.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 36.0 m -117.78 159.49 17.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.829 0.347 . . . . 2.5299999999999998 110.113 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -70.43 -8.93 54.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 4.1900000000000004 111.687 -173.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.42 ' HB3' ' HB3' ' A' ' 73' ' ' SER . 19.7 m -105.26 16.08 26.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.029 0.442 . . . . 3.8999999999999999 110.591 177.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.97 -106.33 2.57 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.837 -0.697 . . . . 2.6000000000000001 111.886 178.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 85.2 m -110.62 145.83 37.22 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.969 0.414 . . . . 1.73 110.387 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 45.2 ttm180 -67.5 119.2 11.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.663 -0.699 . . . . 3.9399999999999999 111.185 -173.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 111.89 -27.18 10.59 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.719 -0.753 . . . . 1.6100000000000001 112.575 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.9 mm -74.67 134.43 29.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.812 0.339 . . . . 1.6499999999999999 111.325 -177.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -70.28 115.03 9.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 3.3199999999999998 109.801 175.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.42 ' HB3' ' HB3' ' A' ' 66' ' ' SER . 4.8 p -85.79 6.46 27.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.102 -0.499 . . . . 4.6299999999999999 112.204 -173.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -96.14 -44.06 7.47 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.777 0.322 . . . . 3.0600000000000001 110.21 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -90.96 -30.34 16.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.983 -0.553 . . . . 3.5099999999999998 110.741 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.466 ' CE3' ' HB3' ' A' ' 112' ' ' LEU . 98.8 m95 -127.85 156.4 42.61 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.916 -0.584 . . . . 3.1699999999999999 110.774 -177.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.539 ' OD1' ' HB3' ' A' ' 113' ' ' SER . 3.0 p-10 -125.28 141.3 52.16 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 107.782 -1.192 . . . . 2.6899999999999999 107.782 165.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.54 ' HA ' ' O ' ' A' ' 111' ' ' VAL . 8.4 t -134.75 144.39 47.68 Favored 'General case' 0 C--N 1.315 -0.904 0 C-N-CA 120.676 -0.41 . . . . 1.9299999999999999 110.639 -174.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -144.39 150.35 37.59 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.775 -0.648 . . . . 3.73 110.19 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.703 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 44.5 m -79.59 121.34 25.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.28 -0.873 . . . . 1.6699999999999999 110.842 -176.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 46.6 m -131.25 131.04 43.62 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.884 -0.598 . . . . 2.2400000000000002 109.793 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.465 ' HB ' ' HB3' ' A' ' 105' ' ' ASP . 6.3 p -73.98 121.24 20.72 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 121.007 0.432 . . . . 2.7799999999999998 110.917 177.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.4 t -79.1 138.97 38.17 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 121.256 0.551 . . . . 2.6899999999999999 110.083 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -103.49 126.65 50.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.562 -0.745 . . . . 3.71 109.969 -173.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.496 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 13.8 t -117.35 158.03 25.12 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.007 -0.738 . . . . 1.48 109.007 177.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.429 ' HB3' ' HB3' ' A' ' 101' ' ' PHE . 86.9 m-85 -104.66 115.98 31.27 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.919 -0.401 . . . . 1.75 109.919 -177.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' A' ' 101' ' ' PHE . 17.3 m -111.17 147.22 15.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.313 0.578 . . . . 1.0800000000000001 111.562 -176.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.492 ' HD2' ' HB3' ' B' ' 51' ' ' GLN . 36.8 pttt -80.55 100.89 8.82 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.726 -1.125 . . . . 3.8199999999999998 110.855 -179.277 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.62 148.27 50.78 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.715 -0.675 . . . . 1.1299999999999999 110.71 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.6 tp -75.38 112.0 11.25 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.474 -0.565 . . . . 1.45 109.474 176.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.468 HG22 ' HA ' ' A' ' 38' ' ' VAL . 73.7 p -129.06 159.75 34.96 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.165 -0.47 . . . . 1.1399999999999999 109.953 -178.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.468 ' CG2' ' HB ' ' A' ' 37' ' ' THR . 9.6 t -121.13 122.12 39.33 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.231 0.539 . . . . 1.3200000000000001 109.947 176.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -80.18 -22.06 42.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.799 -0.637 . . . . 2.4700000000000002 110.586 -178.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -163.33 -67.15 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.913 -0.585 . . . . 3.0899999999999999 110.225 -178.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -121.03 -54.13 2.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.997 0.427 . . . . 3.29 111.266 -177.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -78.61 151.25 32.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.15 -0.477 . . . . 2.7400000000000002 111.265 -175.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.5 127.95 49.33 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.622 -0.717 . . . . 1.4399999999999999 109.759 176.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -136.48 147.26 47.07 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.783 0.325 . . . . 1.3799999999999999 110.942 -177.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 84.3 m95 -78.05 94.57 4.68 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.599 -0.519 . . . . 2.3500000000000001 109.599 177.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.484 ' HB3' ' OD1' ' A' ' 30' ' ' ASP . 13.9 mmm180 -104.95 161.57 14.09 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.322 -0.854 . . . . 3.48 110.298 -174.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.49 ' HA ' ' O ' ' A' ' 87' ' ' VAL . 90.4 m-85 -98.85 110.2 22.84 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.635 -0.505 . . . . 1.98 109.635 176.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 28.7 pt -113.33 147.1 17.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.06 -0.518 . . . . 0.85999999999999999 110.904 -174.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.496 ' HA ' ' O ' ' A' ' 85' ' ' THR . 1.3 ptm180 -78.39 115.31 18.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.439 0.638 . . . . 3.71 111.617 -178.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 45.0 pt -116.06 150.1 18.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 N-CA-C 109.163 -0.68 . . . . 0.82999999999999996 109.163 170.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.465 ' HB3' ' HB ' ' A' ' 82' ' ' THR . 5.5 m-20 -84.28 107.33 16.52 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.917 -0.771 . . . . 1.6899999999999999 108.917 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.7 t -94.16 -25.05 17.28 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.539 0.57 . . . . 2.29 112.539 -168.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.43 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -158.76 160.54 36.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.636 0.255 . . . . 1.1399999999999999 110.957 -176.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.703 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 51.0 t -107.73 115.14 29.6 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.108 -0.701 . . . . 1.5600000000000001 109.108 178.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 24.6 m -116.01 146.42 20.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.893 0.378 . . . . 1.0700000000000001 111.033 -174.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.488 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 69.5 m -89.3 112.4 23.46 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.15 -0.477 . . . . 1.45 109.978 175.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.54 ' O ' ' HA ' ' A' ' 78' ' ' SER . 27.0 m -89.59 144.76 8.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.106 -0.497 . . . . 1.52 110.308 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.466 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . 84.3 mt -106.49 139.18 41.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.944 0.402 . . . . 1.6699999999999999 111.256 -178.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.539 ' HB3' ' OD1' ' A' ' 77' ' ' ASN . 20.3 t -132.22 146.59 52.11 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.875 -0.602 . . . . 2.6200000000000001 109.387 173.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.441 ' O ' ' HG3' ' A' ' 114' ' ' ARG . 20.6 tpp180 -76.26 7.47 4.25 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.08 -0.509 . . . . 6.7300000000000004 111.523 -174.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt 63.37 32.58 14.48 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.357 0.599 . . . . 4.5899999999999999 110.126 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -148.19 136.03 20.92 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.661 -0.7 . . . . 4.5 110.309 -177.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.5 p -88.19 153.73 21.0 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.201 -0.454 . . . . 5.7400000000000002 110.81 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.957 0 N-CA-C 108.506 -0.924 . . . . 8.6699999999999999 108.506 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 20.3 m . . . . . 0 N--CA 1.474 0.746 0 CA-C-O 121.036 0.446 . . . . 13.98 110.629 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 12.9 p -143.1 136.24 28.08 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.091 -0.504 . . . . 12.76 110.094 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 14.9 t -159.31 158.08 31.72 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.865 -0.42 . . . . 11.359999999999999 109.865 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -140.28 79.08 21.95 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-O 120.912 0.387 . . . . 10.289999999999999 111.127 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -70.44 64.53 2.2 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 123.099 2.533 . . . . 7.6299999999999999 111.478 176.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 27.6 t 72.06 -12.05 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 CA-C-N 115.291 -0.868 . . . . 6.6500000000000004 111.278 -178.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -76.8 20.73 0.23 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.208 0.528 . . . . 7.2699999999999996 111.805 -177.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -153.6 21.42 0.54 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 107.8 -1.185 . . . . 7.7199999999999998 107.8 171.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 54.4 mtp -131.42 -40.8 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.749 -1.114 . . . . 5.3399999999999999 109.698 -175.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -129.05 38.22 2.06 Favored Glycine 0 N--CA 1.444 -0.794 0 CA-C-N 115.592 -0.731 . . . . 3.98 112.112 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.41 28.94 7.62 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.219 0.533 . . . . 4.6200000000000001 110.791 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -73.73 120.33 19.17 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.664 -0.698 . . . . 3.6499999999999999 109.747 177.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 41.7 p -77.54 144.04 37.93 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.039 -0.528 . . . . 2.4199999999999999 110.305 -178.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 17.5 m -61.75 -20.06 22.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 115.911 -0.586 . . . . 1.4099999999999999 111.897 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.486 ' HB2' ' SG ' ' B' ' 110' ' ' CYS . 28.1 t -142.94 150.48 39.8 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.874 -0.787 . . . . 1.75 108.874 177.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -82.61 138.96 34.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.143 0.497 . . . . 2.8700000000000001 110.789 -179.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 28.4 p -138.61 150.75 46.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.902 -0.59 . . . . 1.72 111.11 -175.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.514 ' HB ' ' NE ' ' B' ' 59' ' ' ARG . 4.4 p -123.42 117.99 53.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.046 -0.525 . . . . 1.51 110.456 176.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 50.5 m -93.57 124.37 37.52 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.236 -0.438 . . . . 1.6599999999999999 110.519 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 69.4 t -119.54 137.92 51.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.269 -0.423 . . . . 1.03 110.682 -177.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . 0.443 ' HA ' ' O ' ' B' ' 53' ' ' PHE . 95.3 m95 -96.78 96.46 8.59 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.279 -0.637 . . . . 1.6100000000000001 109.279 173.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 48.0 t -77.1 121.31 29.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.578 -0.737 . . . . 0.95999999999999996 110.048 -178.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.53 8.02 32.26 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.525 -0.845 . . . . 1.27 112.444 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -147.98 46.67 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 3.0099999999999998 111.065 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -71.31 132.06 44.34 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.275 -0.639 . . . . 1.3200000000000001 109.275 177.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 14.1 t -104.1 -33.79 8.63 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.173 0.435 . . . . 1.8200000000000001 112.173 -172.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.7 p -141.07 148.49 40.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.922 0.391 . . . . 1.0 111.45 -178.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -149.52 170.17 19.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.788 -0.642 . . . . 0.79000000000000004 110.273 175.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 31.2 m -108.05 119.43 39.45 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.171 -0.468 . . . . 1.01 110.336 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . 0.483 ' OD1' ' HB3' ' B' ' 100' ' ' ARG . 19.1 t70 -68.65 159.71 31.57 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.483 -0.78 . . . . 1.8400000000000001 109.659 177.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 16.0 tt -58.94 -21.14 18.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-N 116.335 -0.393 . . . . 1.3300000000000001 111.679 -178.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -83.14 -9.35 59.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.401 -0.363 . . . . 2.2200000000000002 110.978 178.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.99 16.96 36.6 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.798 -0.715 . . . . 1.25 112.478 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -94.22 140.23 30.03 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.509 0.195 . . . . 2.1400000000000001 110.856 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -85.17 115.45 22.97 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.012 -0.736 . . . . 2.1899999999999999 109.012 173.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -118.09 150.97 20.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 116.14 -0.482 . . . . 1.01 111.08 -175.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . 0.468 ' HB ' HG23 ' B' ' 92' ' ' THR . 16.1 m -82.8 118.36 23.34 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.391 -0.822 . . . . 1.04 109.533 178.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.467 ' HA ' HG22 ' B' ' 91' ' ' THR . 98.3 t -82.66 135.99 23.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 116.098 -0.501 . . . . 1.1000000000000001 110.563 -176.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 65.5 mt -104.77 105.75 15.96 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.38 -0.6 . . . . 1.9099999999999999 109.38 177.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.49 -28.46 69.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.452 0.644 . . . . 2.1800000000000002 109.819 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.421 ' HG2' ' HG2' ' B' ' 50' ' ' ARG . 37.8 mt-10 -106.58 126.41 52.23 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.998 -1.001 . . . . 3.5899999999999999 108.674 174.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 28.0 m -88.97 122.44 40.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-O 121.45 0.643 . . . . 2.3900000000000001 110.453 -176.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -86.74 98.29 11.07 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.297 -0.865 . . . . 3.25 110.136 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.426 ' HB ' ' HB2' ' B' ' 47' ' ' SER . 77.4 mt -116.82 148.67 19.39 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 N-CA-C 108.249 -1.019 . . . . 2.77 108.249 176.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -58.53 109.35 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.666 0.27 . . . . 3.8399999999999999 110.609 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 70.49 28.35 3.69 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.221 -0.9 . . . . 4.7599999999999998 110.994 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . 0.426 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 71.6 m -157.65 114.36 2.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.789 0.328 . . . . 3.3300000000000001 110.837 175.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 54.2 t -132.43 116.05 27.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.832 -0.433 . . . . 2.3799999999999999 109.832 176.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -149.66 157.22 43.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.797 0.332 . . . . 4.1299999999999999 110.945 -178.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.421 ' HG2' ' HG2' ' B' ' 41' ' ' GLU . 62.2 mtp180 -84.35 125.24 32.11 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.777 -0.647 . . . . 4.8399999999999999 111.122 -176.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.492 ' HB3' ' HD2' ' A' ' 88' ' ' LYS . 15.9 mm100 -112.85 100.59 8.78 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.687 -0.688 . . . . 4.5599999999999996 109.96 179.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -67.53 167.92 11.96 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 120.971 0.415 . . . . 2.4500000000000002 111.698 -173.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . 0.443 ' O ' ' HA ' ' B' ' 21' ' ' TRP . 79.9 m-85 -124.88 136.77 54.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.9 -0.591 . . . . 1.1599999999999999 110.749 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -94.28 101.75 13.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.311 -0.404 . . . . 3.5600000000000001 110.012 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -121.2 121.73 38.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.89 0.376 . . . . 1.49 110.534 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 61.4 m -106.61 128.15 53.92 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.982 -0.554 . . . . 1.0700000000000001 110.501 -178.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -112.34 157.69 20.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.232 -0.44 . . . . 2.48 110.35 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' CYS . . . . . 0.469 ' SG ' HG23 ' B' ' 82' ' ' THR . 68.9 m -79.25 125.42 29.45 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.3 -0.409 . . . . 1.73 110.33 179.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . 0.514 ' NE ' ' HB ' ' B' ' 18' ' ' VAL . 87.3 mtt180 -81.95 88.91 6.35 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.87 -0.419 . . . . 3.4900000000000002 109.87 176.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . 59.92 87.15 0.09 Allowed 'General case' 0 C--O 1.233 0.206 0 O-C-N 123.76 0.662 . . . . 2.5800000000000001 110.238 -176.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 39.8 m -52.38 135.99 32.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.46 -0.791 . . . . 2.7599999999999998 111.353 -176.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 70.52 81.5 0.19 Allowed Pre-proline 0 C--O 1.232 0.182 0 CA-C-N 115.357 -0.838 . . . . 2.5899999999999999 110.233 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -61.26 -27.3 83.21 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 122.866 2.377 . . . . 2.5699999999999998 112.99 -177.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 35.4 m -117.69 159.75 17.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.992 -0.373 . . . . 2.5299999999999998 109.992 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -70.83 -8.76 54.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.119 -0.491 . . . . 4.2000000000000002 111.663 -173.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . 0.417 ' HB3' ' HB3' ' B' ' 73' ' ' SER . 19.5 m -105.53 16.51 25.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.096 0.474 . . . . 3.8999999999999999 110.583 177.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.51 -106.19 2.6 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.879 -0.677 . . . . 2.6000000000000001 112.077 178.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 85.0 m -110.73 145.71 37.57 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.789 0.328 . . . . 1.74 110.452 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 45.2 ttm180 -67.15 119.25 11.75 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.696 -0.683 . . . . 3.9500000000000002 111.26 -173.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 111.8 -27.22 10.61 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.671 -0.776 . . . . 1.6000000000000001 112.632 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 48.6 mm -74.78 134.17 30.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.672 0.272 . . . . 1.6499999999999999 111.219 -177.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -70.0 115.25 8.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.102 -0.499 . . . . 3.3199999999999998 109.866 175.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' B' ' 76' ' ' TRP . 5.2 p -86.14 6.95 26.87 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.116 -0.493 . . . . 4.6299999999999999 112.134 -173.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -96.82 -43.4 7.52 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.813 0.339 . . . . 3.0600000000000001 110.362 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 -91.29 -30.57 16.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.95 -0.568 . . . . 3.5099999999999998 110.753 179.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' TRP . . . . . 0.458 ' CE3' ' HB3' ' B' ' 112' ' ' LEU . 98.7 m95 -127.88 156.23 42.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.955 -0.566 . . . . 3.1699999999999999 110.79 -177.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' ASN . . . . . 0.529 ' OD1' ' HB3' ' B' ' 113' ' ' SER . 3.0 p-10 -125.32 141.15 52.24 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 107.682 -1.229 . . . . 2.7000000000000002 107.682 165.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.561 ' HA ' ' O ' ' B' ' 111' ' ' VAL . 8.4 t -134.57 144.45 47.96 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 120.757 -0.377 . . . . 1.9299999999999999 110.564 -174.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -144.4 150.59 37.97 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.778 -0.646 . . . . 3.73 110.082 175.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.704 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 45.2 m -79.72 121.45 25.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.282 -0.872 . . . . 1.6699999999999999 110.71 -176.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 47.4 m -131.32 130.71 43.07 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.879 -0.601 . . . . 2.25 109.864 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.472 ' HB ' ' HB3' ' B' ' 105' ' ' ASP . 6.6 p -73.71 120.89 19.94 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-O 120.99 0.424 . . . . 2.7799999999999998 110.957 177.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 9.7 t -79.03 139.14 38.23 Favored 'General case' 0 C--O 1.242 0.669 0 CA-C-O 121.275 0.559 . . . . 2.6899999999999999 109.934 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 27.7 m-70 -103.61 126.68 50.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.459 -0.791 . . . . 3.71 110.012 -173.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.496 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 13.9 t -117.39 157.79 25.58 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.085 -0.709 . . . . 1.48 109.085 176.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.448 ' HB3' ' HB3' ' B' ' 101' ' ' PHE . 86.9 m-85 -104.5 116.01 31.35 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.022 0.439 . . . . 1.75 109.977 -177.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . 0.492 ' O ' ' HA ' ' B' ' 101' ' ' PHE . 17.4 m -111.12 146.96 15.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.384 0.611 . . . . 1.0800000000000001 111.672 -176.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . 0.496 ' HD2' ' HB3' ' A' ' 51' ' ' GLN . 36.9 pttt -80.22 100.89 8.54 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.724 -1.126 . . . . 3.8199999999999998 111.038 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.63 148.34 50.79 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.701 -0.681 . . . . 1.1299999999999999 110.69 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 21.7 tp -75.6 112.0 11.5 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.431 -0.581 . . . . 1.45 109.431 176.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . 0.467 HG22 ' HA ' ' B' ' 38' ' ' VAL . 72.1 p -128.98 159.62 35.3 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.012 -0.54 . . . . 1.1499999999999999 109.921 -178.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.468 HG23 ' HB ' ' B' ' 37' ' ' THR . 10.1 t -121.1 122.26 39.66 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.334 0.588 . . . . 1.3200000000000001 109.993 176.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -80.46 -21.67 41.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.799 -0.637 . . . . 2.46 110.49 -178.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -163.63 -67.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.163 -0.472 . . . . 3.0899999999999999 110.216 -178.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -120.99 -53.68 2.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.314 -0.403 . . . . 3.2999999999999998 111.588 -178.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -79.02 151.69 31.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.14 -0.482 . . . . 2.7400000000000002 111.267 -175.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -102.95 127.7 50.06 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.897 -0.592 . . . . 1.4399999999999999 109.715 176.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -136.1 147.09 47.65 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.918 0.39 . . . . 1.3899999999999999 110.988 -177.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -77.71 95.06 4.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.304 0.573 . . . . 2.3500000000000001 109.57 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' ARG . . . . . 0.483 ' HB3' ' OD1' ' B' ' 30' ' ' ASP . 13.8 mmm180 -105.4 161.54 14.23 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.286 -0.87 . . . . 3.48 110.321 -174.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.492 ' HA ' ' O ' ' B' ' 87' ' ' VAL . 90.2 m-85 -98.71 110.18 22.82 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.698 -0.482 . . . . 1.98 109.698 175.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 28.9 pt -113.39 147.04 17.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.961 -0.563 . . . . 0.85999999999999999 111.008 -174.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.496 ' HA ' ' O ' ' B' ' 85' ' ' THR . 1.2 ptm180 -78.33 115.22 17.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.445 0.641 . . . . 3.7200000000000002 111.564 -177.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 44.8 pt -116.02 150.1 18.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 N-CA-C 109.152 -0.684 . . . . 0.82999999999999996 109.152 170.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . 0.472 ' HB3' ' HB ' ' B' ' 82' ' ' THR . 6.0 m-20 -84.33 107.26 16.51 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 109.016 -0.735 . . . . 1.6899999999999999 109.016 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 9.8 t -94.08 -24.99 17.36 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.525 0.565 . . . . 2.29 112.525 -168.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . 0.433 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -158.77 160.5 36.38 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 121.054 -0.258 . . . . 1.1499999999999999 110.934 -177.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . 0.704 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 50.2 t -107.63 115.16 29.65 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.21 -0.663 . . . . 1.5600000000000001 109.21 177.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 24.5 m -115.99 146.15 20.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.839 0.352 . . . . 1.0800000000000001 111.067 -174.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.486 ' SG ' ' HB2' ' B' ' 15' ' ' CYS . 69.5 m -88.97 112.51 23.44 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.291 -0.413 . . . . 1.45 109.997 175.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.561 ' O ' ' HA ' ' B' ' 78' ' ' SER . 27.1 m -89.78 144.76 8.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.162 -0.472 . . . . 1.52 110.344 -179.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.458 ' HB3' ' CE3' ' B' ' 76' ' ' TRP . 83.8 mt -106.3 139.11 41.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.911 0.386 . . . . 1.6699999999999999 111.264 -178.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.529 ' HB3' ' OD1' ' B' ' 77' ' ' ASN . 20.1 t -132.16 146.44 52.03 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.922 -0.581 . . . . 2.6200000000000001 109.459 173.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' ARG . . . . . 0.438 ' O ' ' HG3' ' B' ' 114' ' ' ARG . 20.3 tpp180 -76.19 7.64 4.03 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.24 -0.437 . . . . 6.7199999999999998 111.397 -174.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . 0.407 ' HG2' ' HB3' ' B' ' 77' ' ' ASN . 49.2 mtpt 63.14 32.56 15.07 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.218 0.532 . . . . 4.5899999999999999 110.21 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -147.82 136.57 21.86 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.707 -0.679 . . . . 4.5 110.142 -178.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 8.9 p -88.84 154.1 20.53 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.261 -0.427 . . . . 5.7400000000000002 110.788 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.816 0 N-CA-C 108.557 -0.905 . . . . 8.6799999999999997 108.557 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.4 m . . . . . 0 N--CA 1.475 0.815 0 CA-C-O 120.881 0.372 . . . . 13.98 110.779 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 p -126.79 -61.72 1.16 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.052 0.454 . . . . 12.75 110.07 176.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.6 p -92.27 -30.97 15.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.886 -0.597 . . . . 11.35 110.421 176.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.4 t60 -118.32 115.24 36.12 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.649 -0.705 . . . . 10.279999999999999 110.031 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -75.63 116.34 4.44 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.308 2.005 . . . . 7.6299999999999999 111.671 178.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.6 t -90.64 63.84 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.639 0.733 . . . . 6.6500000000000004 109.876 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -90.75 -19.98 22.92 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.911 -0.586 . . . . 7.2699999999999996 110.906 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 50.0 t60 -72.64 -3.91 27.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.454 0.645 . . . . 7.7199999999999998 110.258 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 74.7 mtm -137.79 30.67 2.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.652 -0.703 . . . . 5.3399999999999999 109.181 172.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -142.62 -36.03 0.09 OUTLIER Glycine 0 N--CA 1.453 -0.23 0 CA-C-N 115.318 -0.855 . . . . 3.98 112.365 -178.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -96.81 38.43 1.22 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.205 0.526 . . . . 4.6299999999999999 110.384 177.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -110.68 100.72 9.44 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.76 -0.655 . . . . 3.6499999999999999 110.145 178.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.4 t -90.21 156.49 18.28 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.593 -0.731 . . . . 2.4199999999999999 110.31 -178.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 29.4 m -75.47 -17.78 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.593 -0.731 . . . . 1.4099999999999999 111.031 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.645 ' HB2' ' SG ' ' A' ' 110' ' ' CYS . 42.0 t -133.27 152.37 51.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.954 -0.566 . . . . 1.75 109.936 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -94.89 115.65 27.73 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.762 -0.459 . . . . 2.8700000000000001 109.762 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.481 ' OG ' ' HB3' ' A' ' 108' ' ' CYS . 17.9 m -122.65 160.63 25.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.041 -0.527 . . . . 1.72 111.246 -173.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.436 ' HB ' ' HD2' ' A' ' 59' ' ' ARG . 3.5 p -126.05 116.12 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.939 0.4 . . . . 1.51 110.698 175.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.421 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 49.5 m -94.85 121.14 36.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.364 -0.38 . . . . 1.6599999999999999 110.184 177.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.3 t -119.29 138.1 51.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.042 -0.526 . . . . 1.03 110.446 -177.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -95.37 95.81 8.71 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.873 -0.788 . . . . 1.6100000000000001 108.873 173.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.444 HG21 ' OE2' ' A' ' 55' ' ' GLU . 85.2 t -88.76 122.7 40.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.13 -0.941 . . . . 0.95999999999999996 111.355 -173.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.87 24.68 7.83 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 110.844 -0.902 . . . . 1.27 110.844 173.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -130.44 15.65 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 3.02 111.35 -178.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -70.43 127.31 32.28 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.674 -0.491 . . . . 1.3200000000000001 109.674 179.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.5 t -103.07 -30.71 10.58 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.834 0.309 . . . . 1.8200000000000001 111.834 -175.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.5 p -138.98 142.26 38.36 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.956 0.407 . . . . 1.01 111.778 -178.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.95 167.62 22.2 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.715 -0.675 . . . . 0.79000000000000004 110.096 177.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.3 m -108.79 118.94 38.09 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.889 0.376 . . . . 1.02 110.776 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -66.86 165.68 14.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.616 -0.72 . . . . 1.8500000000000001 110.547 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.475 ' HA ' ' CE1' ' A' ' 86' ' ' PHE . 14.5 tt -59.22 -29.84 42.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.805 0.336 . . . . 1.3300000000000001 111.297 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -76.96 -11.48 59.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.843 0.354 . . . . 2.2200000000000002 110.844 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.33 17.78 30.57 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.984 -0.626 . . . . 1.25 112.397 178.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -95.16 138.82 32.35 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.627 0.251 . . . . 2.1400000000000001 110.647 -178.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -82.53 115.41 21.5 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.539 -0.541 . . . . 2.1899999999999999 109.539 175.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.0 m -115.94 152.27 17.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.098 -0.501 . . . . 1.02 110.897 -177.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.553 ' HB ' HG23 ' A' ' 92' ' ' THR . 30.9 m -88.63 121.82 31.41 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 115.592 -0.731 . . . . 1.04 109.333 177.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.533 ' HA ' HG22 ' A' ' 91' ' ' THR . 98.7 t -81.24 130.35 36.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.807 -0.633 . . . . 1.1000000000000001 110.869 -175.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 75.9 mt -100.01 94.42 6.26 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.997 -0.547 . . . . 1.9099999999999999 109.527 177.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.521 ' O ' ' HA ' ' A' ' 50' ' ' ARG . . . -60.54 -35.45 76.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.362 0.601 . . . . 2.1800000000000002 109.619 178.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.486 ' HG2' ' HG2' ' A' ' 50' ' ' ARG . 23.9 mt-10 -106.66 115.27 29.9 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.06 -0.973 . . . . 3.5899999999999999 108.725 175.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.528 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 22.5 m -99.65 140.48 18.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.896 0.379 . . . . 2.3999999999999999 110.977 -175.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 -112.45 99.3 7.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.995 -0.548 . . . . 3.25 110.016 178.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 54.4 mt -105.29 86.92 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.801 -0.444 . . . . 2.77 109.801 178.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.401 HD22 ' N ' ' A' ' 45' ' ' ASN . 0.9 OUTLIER 66.99 -77.78 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 115.543 -0.753 . . . . 3.8399999999999999 110.933 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -133.72 2.13 3.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.482 -0.326 . . . . 4.7599999999999998 110.516 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.1 m -107.94 115.32 29.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.85 0.357 . . . . 3.3300000000000001 110.366 -178.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.528 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 38.7 t -116.0 125.6 73.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.897 -0.592 . . . . 2.3700000000000001 110.148 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -145.7 165.48 28.63 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.205 -0.294 . . . . 4.1299999999999999 110.205 176.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.521 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 95.5 mtt180 -106.24 136.54 45.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.229 -0.442 . . . . 4.8399999999999999 111.284 -177.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -110.66 145.17 38.41 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.715 -0.675 . . . . 4.5599999999999996 109.8 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -119.0 154.44 33.07 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.251 -0.277 . . . . 2.46 110.251 -178.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -121.41 127.52 51.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.207 -0.452 . . . . 1.1599999999999999 110.711 -179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -84.86 103.27 13.78 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.228 0.537 . . . . 3.5600000000000001 110.327 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.444 ' OE2' HG21 ' A' ' 22' ' ' VAL . 27.0 mt-10 -107.92 113.45 26.67 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.259 -0.428 . . . . 1.49 110.31 179.086 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.421 ' HA ' ' HA ' ' A' ' 19' ' ' SER . 36.5 m -97.22 103.42 15.35 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.071 -0.513 . . . . 1.0700000000000001 109.624 176.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -103.05 154.27 19.43 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.677 -0.692 . . . . 2.48 110.828 -174.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.483 ' SG ' HG23 ' A' ' 82' ' ' THR . 79.5 m -80.96 110.49 16.55 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.643 -0.708 . . . . 1.73 110.9 -179.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.436 ' HD2' ' HB ' ' A' ' 18' ' ' VAL . 17.1 ptm180 -99.32 17.13 20.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.518 0.675 . . . . 3.48 109.371 174.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -167.21 173.2 9.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.653 -1.158 . . . . 2.5800000000000001 108.81 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.611 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 29.7 t -148.74 -31.5 0.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.135 0.493 . . . . 2.7599999999999998 110.618 177.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -140.27 76.85 25.61 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 108.818 -0.808 . . . . 2.5899999999999999 108.818 176.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.15 -42.57 52.89 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.485 2.79 . . . . 2.5699999999999998 113.682 -171.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.1 m -84.08 -55.37 7.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 112.142 0.423 . . . . 2.5299999999999998 112.142 -176.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.57 ' HG3' ' H ' ' A' ' 66' ' ' SER . 7.2 pt-20 -168.8 -68.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.79 -0.187 . . . . 4.1900000000000004 111.418 -177.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.57 ' H ' ' HG3' ' A' ' 65' ' ' GLU . 15.6 m -123.26 -9.7 8.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.832 0.349 . . . . 3.8999999999999999 111.451 -176.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -136.67 -170.37 11.93 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.765 -0.731 . . . . 2.6000000000000001 111.901 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 85.0 m -101.85 71.47 1.3 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.933 0.397 . . . . 1.73 111.394 -179.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 70.93 -72.78 0.11 Allowed 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.182 -0.917 . . . . 3.9399999999999999 112.254 171.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.24 -17.31 32.2 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.514 -0.85 . . . . 1.6100000000000001 112.83 -176.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.53 HG21 ' OG ' ' A' ' 78' ' ' SER . 44.5 mm -65.52 124.83 21.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.894 0.347 . . . . 1.6499999999999999 111.215 -176.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -68.53 106.13 2.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.005 -0.543 . . . . 3.3199999999999998 109.86 174.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.3 p -70.26 -12.53 61.65 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.882 -0.599 . . . . 4.6299999999999999 112.024 -174.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -80.74 -32.4 35.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.896 0.379 . . . . 3.0600000000000001 110.628 -178.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.6 t-80 -99.16 -30.43 12.29 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.377 -0.374 . . . . 3.5099999999999998 110.928 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -126.96 140.04 52.61 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.228 0.537 . . . . 3.1699999999999999 111.896 -176.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.508 ' HB3' ' HB3' ' A' ' 113' ' ' SER . 4.3 t-20 -93.89 134.47 36.22 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.938 -1.134 . . . . 2.6899999999999999 107.938 169.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.53 ' OG ' HG21 ' A' ' 71' ' ' ILE . 16.6 m -127.09 138.94 53.29 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.104 0.478 . . . . 1.9299999999999999 111.588 -176.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -153.43 141.95 20.79 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.364 -0.835 . . . . 3.73 109.648 172.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.799 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 79.9 m -81.84 123.05 28.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.599 -0.728 . . . . 1.6699999999999999 110.783 -176.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.3 m -128.74 137.94 51.84 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.781 -0.645 . . . . 2.2400000000000002 109.55 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.483 HG23 ' SG ' ' A' ' 58' ' ' CYS . 12.4 p -84.19 122.34 28.72 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 121.025 0.441 . . . . 2.7799999999999998 111.45 -179.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 21.0 m -76.52 134.37 39.48 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 108.96 -0.756 . . . . 2.6899999999999999 108.96 174.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.49 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 72.6 m80 -106.27 122.15 45.65 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.763 0.316 . . . . 3.71 110.602 -176.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.716 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 3.3 t -109.09 162.16 14.51 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.598 -0.519 . . . . 1.48 109.598 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.475 ' CE1' ' HA ' ' A' ' 31' ' ' ILE . 77.5 m-85 -103.76 117.28 34.0 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 110.061 -0.348 . . . . 1.75 110.061 -178.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 20.6 m -109.22 138.62 35.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.315 0.578 . . . . 1.0800000000000001 111.484 -176.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 17.2 pttp -69.41 103.01 1.9 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.992 -1.004 . . . . 3.8199999999999998 110.914 178.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.32 138.98 50.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.331 -0.849 . . . . 1.1299999999999999 111.213 -178.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.8 tp -73.8 107.48 6.07 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.992 -0.744 . . . . 1.45 108.992 173.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.533 HG22 ' HA ' ' A' ' 38' ' ' VAL . 77.0 p -131.14 162.8 29.1 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.121 -0.49 . . . . 1.1399999999999999 109.781 -177.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.553 HG23 ' HB ' ' A' ' 37' ' ' THR . 4.6 t -117.33 120.5 38.38 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.232 0.539 . . . . 1.3200000000000001 110.383 179.086 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -77.84 -9.73 59.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.837 -0.619 . . . . 2.4700000000000002 110.639 178.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -162.26 -78.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.08 -0.509 . . . . 3.0899999999999999 109.882 177.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -143.05 26.79 1.66 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.084 0.469 . . . . 3.29 110.326 178.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -133.02 117.56 17.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.705 -0.68 . . . . 2.7400000000000002 109.733 -178.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.72 113.5 15.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.905 0.383 . . . . 1.4399999999999999 110.865 -179.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -130.82 146.58 52.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.124 -0.489 . . . . 1.3799999999999999 110.353 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -76.49 101.81 5.77 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.097 0.475 . . . . 2.3500000000000001 109.864 178.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.43 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 39.2 mmt180 -105.41 177.57 4.81 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.554 -0.748 . . . . 3.48 110.05 -177.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.47 ' HB3' ' HB3' ' A' ' 86' ' ' PHE . 74.6 m-85 -119.5 107.67 13.59 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.687 -0.857 . . . . 1.98 108.687 174.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 35.3 pt -111.56 143.37 21.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.983 0.421 . . . . 0.85999999999999999 111.246 -171.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.716 ' HA ' ' O ' ' A' ' 85' ' ' THR . 20.4 ptp180 -82.81 125.02 30.84 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.723 -0.671 . . . . 3.71 111.229 -174.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.49 ' O ' ' HA ' ' A' ' 84' ' ' HIS . 46.2 pt -126.96 154.97 37.66 Favored 'Isoleucine or valine' 0 C--O 1.241 0.611 0 CA-C-N 115.698 -0.683 . . . . 0.82999999999999996 110.663 177.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -67.18 105.14 1.62 Allowed 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.615 -0.72 . . . . 1.6899999999999999 109.263 175.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.2 m -90.97 -48.44 6.99 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.164 -0.471 . . . . 2.29 111.446 -171.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.436 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -148.13 147.56 29.63 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.075 -0.511 . . . . 1.1399999999999999 110.38 -178.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.799 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 40.4 t -102.14 109.62 21.36 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.131 -0.692 . . . . 1.5600000000000001 109.131 177.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.3 m -113.84 143.7 22.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.146 -0.479 . . . . 1.0700000000000001 111.545 -172.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.645 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 88.5 m -80.03 104.45 10.61 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.894 -0.593 . . . . 1.45 109.492 172.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 32.0 m -89.33 147.29 5.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.533 -0.543 . . . . 1.52 109.533 179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.7 mt -102.02 138.94 38.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.428 0.632 . . . . 1.6699999999999999 110.911 -175.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.508 ' HB3' ' HB3' ' A' ' 77' ' ' ASN . 15.1 t -128.32 153.5 46.94 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.262 -0.881 . . . . 2.6200000000000001 109.641 177.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -77.57 8.89 3.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.5 . . . . 6.7300000000000004 111.831 -175.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.433 ' HG2' ' HB2' ' A' ' 77' ' ' ASN . 29.9 mtpp 68.33 39.22 2.31 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.567 0.542 . . . . 4.5899999999999999 110.113 179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -137.87 169.97 16.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.58 -0.736 . . . . 4.5 110.149 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.2 p -141.07 -177.3 5.04 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.5 -0.318 . . . . 5.7400000000000002 110.356 178.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.47 -0.776 . . . . 8.6699999999999999 110.128 179.441 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 37.6 m . . . . . 0 N--CA 1.477 0.913 0 CA-C-O 120.828 0.347 . . . . 13.98 111.001 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 21.1 p -126.49 -62.3 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.976 0.417 . . . . 12.76 110.04 176.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 9.9 p -91.6 -31.47 15.88 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.259 0.552 . . . . 11.359999999999999 110.449 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -118.04 115.12 36.75 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.665 -0.698 . . . . 10.289999999999999 110.026 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -75.42 116.14 4.43 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.372 2.048 . . . . 7.6299999999999999 111.753 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 19.1 t -90.21 63.01 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.567 0.698 . . . . 6.6500000000000004 110.165 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -90.26 -20.2 23.23 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.948 -0.569 . . . . 7.2699999999999996 110.913 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 51.4 t60 -72.59 -3.99 28.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.424 0.631 . . . . 7.7199999999999998 110.119 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 74.4 mtm -137.77 31.35 2.51 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.579 -0.737 . . . . 5.3399999999999999 109.039 172.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -143.04 -36.29 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.193 0 CA-C-N 115.341 -0.845 . . . . 3.98 112.327 -178.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -96.47 37.78 1.25 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.253 0.549 . . . . 4.6200000000000001 110.39 178.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -110.29 100.78 9.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.856 -0.611 . . . . 3.6499999999999999 110.167 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 34.5 t -90.31 156.58 18.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.502 -0.772 . . . . 2.4199999999999999 110.255 -178.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 29.3 m -75.59 -17.55 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.486 -0.779 . . . . 1.4099999999999999 111.126 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.653 ' HB2' ' SG ' ' B' ' 110' ' ' CYS . 42.0 t -133.57 152.13 51.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.928 -0.578 . . . . 1.75 109.92 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -94.73 115.7 27.84 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.735 -0.469 . . . . 2.8700000000000001 109.735 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.484 ' OG ' ' HB3' ' B' ' 108' ' ' CYS . 17.6 m -122.31 161.3 23.62 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.091 -0.504 . . . . 1.72 111.164 -173.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.425 ' HB ' ' HD2' ' B' ' 59' ' ' ARG . 3.4 p -126.62 116.09 43.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.308 -0.405 . . . . 1.51 110.693 175.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.433 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 51.1 m -94.73 121.18 36.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.115 0.483 . . . . 1.6599999999999999 110.328 177.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 48.2 t -119.28 138.01 51.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.994 -0.548 . . . . 1.03 110.408 -177.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -95.22 95.93 8.85 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.892 -0.781 . . . . 1.6100000000000001 108.892 173.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.433 HG21 ' OE2' ' B' ' 55' ' ' GLU . 90.2 t -88.81 122.64 40.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 CA-C-N 115.168 -0.924 . . . . 0.95999999999999996 111.354 -173.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.83 24.55 7.89 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 110.926 -0.87 . . . . 1.27 110.926 173.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -129.86 14.8 5.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.783 -0.208 . . . . 3.0099999999999998 111.551 -178.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -69.53 127.42 32.94 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.761 -0.459 . . . . 1.3200000000000001 109.761 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 10.8 t -103.17 -30.69 10.54 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 111.803 0.297 . . . . 1.8200000000000001 111.803 -175.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.4 p -139.12 142.57 38.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.039 0.447 . . . . 1.0 111.568 -178.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -145.29 167.69 22.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.743 -0.662 . . . . 0.79000000000000004 110.058 177.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 18.7 m -108.84 118.7 37.46 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.818 0.342 . . . . 1.01 110.749 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -66.74 165.51 14.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.593 -0.73 . . . . 1.8400000000000001 110.72 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.471 ' HA ' ' CE1' ' B' ' 86' ' ' PHE . 14.3 tt -59.07 -29.68 41.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.875 0.369 . . . . 1.3300000000000001 111.408 -179.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -77.15 -11.52 59.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.096 0.474 . . . . 2.2200000000000002 110.823 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.13 18.37 29.29 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.886 -0.673 . . . . 1.25 112.233 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -95.57 138.69 32.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.682 0.277 . . . . 2.1400000000000001 110.674 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -82.2 115.61 21.37 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.612 -0.514 . . . . 2.1899999999999999 109.612 175.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 35.0 m -116.01 152.5 17.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-O 121.041 0.448 . . . . 1.01 110.804 -177.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . 0.558 ' HB ' HG23 ' B' ' 92' ' ' THR . 31.1 m -88.71 121.78 31.44 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.62 -0.718 . . . . 1.04 109.306 176.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.553 ' HA ' HG22 ' B' ' 91' ' ' THR . 99.0 t -81.31 130.15 36.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 115.79 -0.641 . . . . 1.1000000000000001 110.984 -175.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 77.3 mt -99.88 94.49 6.34 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.45 -0.574 . . . . 1.9099999999999999 109.45 178.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.525 ' O ' ' HA ' ' B' ' 50' ' ' ARG . . . -60.7 -35.3 75.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.323 0.583 . . . . 2.1800000000000002 109.637 178.165 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.474 ' HG2' ' HG2' ' B' ' 50' ' ' ARG . 24.0 mt-10 -106.46 115.45 30.23 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.0 -1.0 . . . . 3.5899999999999999 108.792 175.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.523 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 22.6 m -99.79 140.4 19.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.834 0.349 . . . . 2.3900000000000001 110.972 -175.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -112.46 99.29 7.87 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.092 -0.504 . . . . 3.25 109.971 178.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 55.3 mt -105.25 87.21 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.671 -0.492 . . . . 2.77 109.671 178.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . 0.4 HD22 ' N ' ' B' ' 45' ' ' ASN . 0.9 OUTLIER 66.82 -78.01 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 115.654 -0.703 . . . . 3.8399999999999999 110.956 -179.861 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -133.36 1.26 3.44 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.429 -0.351 . . . . 4.7599999999999998 110.641 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 16.0 m -107.44 115.35 30.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.953 0.406 . . . . 3.3300000000000001 110.331 -177.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.523 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 38.4 t -116.23 125.35 73.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.889 -0.596 . . . . 2.3799999999999999 110.137 -179.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -145.62 165.19 29.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.709 0.29 . . . . 4.1299999999999999 110.238 176.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.525 ' HA ' ' O ' ' B' ' 40' ' ' ALA . 95.4 mtt180 -105.84 136.73 44.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.103 -0.499 . . . . 4.8399999999999999 111.237 -177.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -110.7 145.25 38.34 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.804 -0.634 . . . . 4.5599999999999996 109.799 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -119.19 154.26 33.63 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 110.356 -0.239 . . . . 2.4500000000000002 110.356 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -121.27 127.59 51.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.281 -0.418 . . . . 1.1599999999999999 110.804 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -84.89 103.23 13.76 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.216 0.531 . . . . 3.5600000000000001 110.348 178.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . 0.433 ' OE2' HG21 ' B' ' 22' ' ' VAL . 26.8 mt-10 -108.02 113.35 26.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.179 -0.464 . . . . 1.49 110.301 179.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' B' ' 19' ' ' SER . 37.9 m -97.07 103.49 15.43 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.554 -0.536 . . . . 1.0700000000000001 109.554 176.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -103.21 154.13 19.65 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.849 -0.614 . . . . 2.48 110.791 -174.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' CYS . . . . . 0.485 ' SG ' HG23 ' B' ' 82' ' ' THR . 79.8 m -80.7 110.81 16.56 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.684 -0.689 . . . . 1.73 110.828 -179.18 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . 0.425 ' HD2' ' HB ' ' B' ' 18' ' ' VAL . 17.2 ptm180 -99.77 17.2 21.29 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.535 0.684 . . . . 3.4900000000000002 109.168 174.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -167.14 173.36 9.17 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.722 -1.126 . . . . 2.5800000000000001 108.766 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . 0.612 ' HA ' ' SG ' ' B' ' 80' ' ' CYS . 29.1 t -149.08 -31.44 0.24 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.011 0.434 . . . . 2.7599999999999998 110.468 178.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -140.66 76.71 23.65 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 108.857 -0.794 . . . . 2.5899999999999999 108.857 177.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -51.48 -42.21 56.48 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.48 2.786 . . . . 2.5699999999999998 113.685 -171.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 5.1 m -83.88 -56.29 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 C-N-CA 120.707 -0.397 . . . . 2.5299999999999998 111.842 -176.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . 0.552 ' HG3' ' H ' ' B' ' 66' ' ' SER . 7.3 pt-20 -168.4 -67.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.72 0.267 . . . . 4.2000000000000002 111.72 -177.228 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . 0.552 ' H ' ' HG3' ' B' ' 65' ' ' GLU . 16.7 m -123.96 -9.61 7.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.749 0.309 . . . . 3.8999999999999999 111.431 -177.079 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -137.05 -170.34 11.88 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.697 -0.763 . . . . 2.6000000000000001 111.865 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 85.2 m -101.72 71.59 1.32 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.948 0.404 . . . . 1.74 111.385 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 70.79 -72.89 0.1 Allowed 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.246 -0.888 . . . . 3.9500000000000002 112.303 171.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.13 -17.35 32.34 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.519 -0.848 . . . . 1.6000000000000001 112.797 -176.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . 0.53 HG21 ' OG ' ' B' ' 78' ' ' SER . 44.3 mm -65.52 124.98 21.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.788 0.294 . . . . 1.6499999999999999 111.263 -176.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -68.62 106.26 2.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.866 -0.606 . . . . 3.3199999999999998 109.913 174.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 18.3 p -70.25 -12.51 61.64 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.843 -0.617 . . . . 4.6299999999999999 112.085 -174.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -81.05 -32.39 34.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.953 0.406 . . . . 3.0600000000000001 110.538 -178.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -99.18 -30.51 12.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.332 -0.395 . . . . 3.5099999999999998 110.836 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' TRP . . . . . 0.409 ' CE3' ' HB3' ' B' ' 112' ' ' LEU . 79.5 m95 -127.03 139.95 52.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.271 0.558 . . . . 3.1699999999999999 111.941 -176.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' ASN . . . . . 0.502 ' HB3' ' HB3' ' B' ' 113' ' ' SER . 4.2 t-20 -93.74 134.6 35.9 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 107.968 -1.123 . . . . 2.7000000000000002 107.968 169.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.53 ' OG ' HG21 ' B' ' 71' ' ' ILE . 16.1 m -127.23 138.87 53.2 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.147 0.499 . . . . 1.9299999999999999 111.439 -176.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -153.35 141.95 20.86 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.364 -0.835 . . . . 3.73 109.61 172.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.806 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 79.3 m -81.81 123.11 28.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.673 -0.694 . . . . 1.6699999999999999 110.613 -176.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 31.4 m -129.01 137.99 51.67 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.716 -0.674 . . . . 2.25 109.591 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.485 HG23 ' SG ' ' B' ' 58' ' ' CYS . 12.4 p -84.29 122.13 28.47 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.204 0.525 . . . . 2.7799999999999998 111.425 -179.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 22.4 m -76.46 134.54 39.51 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 108.892 -0.781 . . . . 2.6899999999999999 108.892 174.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' HIS . . . . . 0.461 ' HA ' ' O ' ' B' ' 104' ' ' ILE . 72.7 m80 -106.35 121.95 45.26 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.684 0.278 . . . . 3.71 110.712 -176.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.716 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 3.5 t -109.24 162.17 14.55 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.543 -0.54 . . . . 1.48 109.543 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.479 ' HB3' ' HB3' ' B' ' 101' ' ' PHE . 78.2 m-85 -103.93 117.49 34.45 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.865 -0.42 . . . . 1.75 109.865 -178.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 20.2 m -109.3 138.46 36.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.237 0.541 . . . . 1.0800000000000001 111.473 -176.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 17.2 pttp -69.22 103.22 1.88 Allowed 'General case' 0 C--O 1.238 0.479 0 CA-C-N 114.946 -1.025 . . . . 3.8199999999999998 110.937 178.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.56 138.91 50.4 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.376 -0.829 . . . . 1.1299999999999999 111.128 -178.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 24.4 tp -73.81 107.64 6.17 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.045 -0.724 . . . . 1.45 109.045 173.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . 0.553 HG22 ' HA ' ' B' ' 38' ' ' VAL . 76.8 p -131.33 162.94 28.95 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.154 -0.476 . . . . 1.1499999999999999 109.834 -177.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.558 HG23 ' HB ' ' B' ' 37' ' ' THR . 4.9 t -117.52 120.59 38.56 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.267 0.556 . . . . 1.3200000000000001 110.441 179.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -77.48 -10.44 59.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.79 -0.641 . . . . 2.46 110.595 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -162.06 -78.68 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.959 -0.564 . . . . 3.0899999999999999 109.928 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -142.89 27.19 1.66 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.241 0.543 . . . . 3.2999999999999998 110.235 178.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -133.38 116.9 16.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.757 -0.656 . . . . 2.7400000000000002 109.702 -178.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -77.29 113.89 15.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.999 0.428 . . . . 1.4399999999999999 110.751 -179.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -131.21 146.23 52.24 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.99 -0.55 . . . . 1.3899999999999999 110.506 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -76.06 102.53 5.72 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.188 0.518 . . . . 2.3500000000000001 109.792 178.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' ARG . . . . . 0.432 ' O ' ' HA ' ' B' ' 88' ' ' LYS . 39.2 mmt180 -106.15 177.39 4.87 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.597 -0.728 . . . . 3.48 109.902 -177.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.479 ' HB3' ' HB3' ' B' ' 86' ' ' PHE . 74.6 m-85 -119.45 107.72 13.67 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.637 -0.875 . . . . 1.98 108.637 174.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 35.7 pt -111.7 143.24 21.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.048 0.452 . . . . 0.85999999999999999 111.244 -171.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.716 ' HA ' ' O ' ' B' ' 85' ' ' THR . 20.5 ptp180 -82.69 125.33 31.11 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.574 -0.739 . . . . 3.7200000000000002 111.233 -174.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' B' ' 84' ' ' HIS . 45.9 pt -127.3 154.94 38.15 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 CA-C-N 115.596 -0.729 . . . . 0.82999999999999996 110.565 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -67.22 105.07 1.61 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.6 -0.727 . . . . 1.6899999999999999 109.242 175.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 1.1 m -90.91 -48.33 7.07 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.213 -0.449 . . . . 2.29 111.515 -171.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . 0.428 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -148.25 147.44 29.36 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.066 -0.515 . . . . 1.1499999999999999 110.48 -178.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . 0.806 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 40.4 t -101.98 109.56 21.32 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.166 -0.679 . . . . 1.5600000000000001 109.166 177.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 33.2 m -113.7 143.58 23.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.209 -0.45 . . . . 1.0800000000000001 111.566 -172.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.653 ' SG ' ' HB2' ' B' ' 15' ' ' CYS . 88.5 m -79.98 104.44 10.55 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.95 -0.568 . . . . 1.45 109.527 172.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 32.5 m -89.32 147.19 5.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.622 -0.51 . . . . 1.52 109.622 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.409 ' HB3' ' CE3' ' B' ' 76' ' ' TRP . 87.7 mt -101.85 138.96 38.13 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.398 0.618 . . . . 1.6699999999999999 111.043 -175.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.502 ' HB3' ' HB3' ' B' ' 77' ' ' ASN . 13.8 t -128.3 153.6 46.82 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.268 -0.878 . . . . 2.6200000000000001 109.638 177.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 30.7 mmt180 -77.53 8.85 3.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.169 -0.469 . . . . 6.7199999999999998 111.882 -175.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . 0.419 ' HG2' ' HB2' ' B' ' 77' ' ' ASN . 29.9 mtpp 68.35 39.06 2.33 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.262 0.553 . . . . 4.5899999999999999 110.187 179.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -137.5 170.88 15.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.562 -0.745 . . . . 4.5 109.922 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 4.6 p -142.09 -177.44 5.23 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.456 -0.338 . . . . 5.7400000000000002 110.268 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 . . . . . 0 C--O 1.244 0.798 0 CA-C-O 118.289 -0.862 . . . . 8.6799999999999997 110.293 179.822 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.2 t . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 110.117 -0.327 . . . . 13.98 110.117 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 t 65.02 24.02 12.55 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 121.235 0.541 . . . . 12.75 111.03 176.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.9 p -82.54 137.52 34.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.163 -0.471 . . . . 11.35 110.801 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 -148.57 98.91 3.62 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.258 -0.428 . . . . 10.279999999999999 110.779 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -79.57 60.1 7.68 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.516 2.144 . . . . 7.6299999999999999 111.53 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.8 t 57.62 37.7 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.456 -0.793 . . . . 6.6500000000000004 109.437 -176.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 55.6 t80 54.14 45.49 27.32 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.067 -0.97 . . . . 7.2699999999999996 110.265 -177.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 34.9 t60 57.02 40.47 28.63 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.826 -0.625 . . . . 7.7199999999999998 109.501 -178.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 19.9 ptp 47.25 31.01 1.6 Allowed 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 114.948 -1.023 . . . . 5.3399999999999999 111.632 -175.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.506 ' HA2' HG11 ' B' ' 111' ' ' VAL . . . -106.22 5.06 38.41 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.926 -0.654 . . . . 3.98 112.77 -177.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -99.63 14.06 31.35 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 121.006 -0.277 . . . . 4.6299999999999999 111.273 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.479 ' HB2' ' HB ' ' B' ' 111' ' ' VAL . 63.6 m-85 -88.84 147.89 24.17 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.352 -0.61 . . . . 3.6499999999999999 109.352 176.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.4 m -139.49 129.86 25.5 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.773 0.32 . . . . 2.4199999999999999 111.174 -176.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.3 m -74.71 -18.23 16.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-O 121.143 0.497 . . . . 1.4099999999999999 110.618 174.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 68.5 m -127.21 133.09 50.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.342 -0.845 . . . . 1.75 109.585 177.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -67.13 115.63 7.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.763 0.316 . . . . 2.8700000000000001 110.18 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.5 p -125.49 154.33 42.23 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.147 0.498 . . . . 1.72 111.778 -174.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.512 ' HB ' ' NE ' ' A' ' 59' ' ' ARG . 3.7 p -122.25 115.69 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.485 -0.78 . . . . 1.51 110.212 179.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 11.2 t -103.04 117.14 33.92 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.668 -0.493 . . . . 1.6599999999999999 109.668 179.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.2 t -119.46 138.41 50.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.423 -0.353 . . . . 1.03 110.925 -176.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 85.3 m95 -101.77 95.5 6.45 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.36 -0.978 . . . . 1.6100000000000001 108.36 171.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.433 HG12 ' H ' ' A' ' 24' ' ' ASP . 43.6 t -80.4 111.32 16.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.363 -0.835 . . . . 0.95999999999999996 110.811 -173.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.99 11.7 71.52 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.629 -0.796 . . . . 1.27 112.241 179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.433 ' H ' HG12 ' A' ' 22' ' ' VAL . 37.8 t70 -156.88 59.68 0.53 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.192 0.52 . . . . 3.02 110.883 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -80.69 130.33 35.03 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.891 -0.781 . . . . 1.3200000000000001 108.891 175.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 t -101.45 -30.78 11.24 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.563 0.579 . . . . 1.8200000000000001 112.563 -170.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.79 145.79 30.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.827 0.346 . . . . 1.01 111.588 -179.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.81 167.81 27.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.909 -0.587 . . . . 0.79000000000000004 110.481 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 34' ' ' LYS . 25.5 m -100.05 119.74 38.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.812 -0.631 . . . . 1.02 110.527 178.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.447 ' CG ' HH21 ' A' ' 100' ' ' ARG . 17.8 t70 -69.18 158.64 34.52 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.348 -0.842 . . . . 1.8500000000000001 110.023 177.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.9 tt -61.17 -21.32 24.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-N 116.053 -0.521 . . . . 1.3300000000000001 111.828 -176.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.47 ' HD2' ' NH2' ' A' ' 100' ' ' ARG . 96.9 mttt -84.79 -5.3 59.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.893 0.377 . . . . 2.2200000000000002 110.655 178.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.44 27.4 13.24 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.84 -0.695 . . . . 1.25 112.24 178.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 29' ' ' THR . 75.2 mmtt -102.12 155.35 18.25 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.739 0.304 . . . . 2.1400000000000001 110.549 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -102.44 115.62 30.93 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.925 -0.769 . . . . 2.1899999999999999 108.925 174.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.2 m -124.98 151.34 30.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 121.132 0.492 . . . . 1.02 111.65 -174.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.415 ' HB ' ' CG2' ' A' ' 92' ' ' THR . 46.4 m -81.61 119.79 24.25 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.239 -0.891 . . . . 1.04 109.704 177.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.499 ' HA ' HG22 ' A' ' 91' ' ' THR . 54.3 t -86.24 136.19 23.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 116.223 -0.444 . . . . 1.1000000000000001 110.772 -175.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.1 mt -109.12 107.82 18.26 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.135 -0.691 . . . . 1.9099999999999999 109.135 175.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.6 -25.83 65.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.493 0.663 . . . . 2.1800000000000002 110.123 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.477 ' HG2' ' HB3' ' A' ' 50' ' ' ARG . 30.5 mt-10 -106.81 114.69 28.94 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 114.993 -1.003 . . . . 3.5899999999999999 108.424 174.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 49' ' ' PHE . 19.5 m -90.68 123.3 42.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.225 0.536 . . . . 2.3999999999999999 110.395 -176.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -93.55 107.09 18.99 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.576 0.703 . . . . 3.25 109.793 178.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 59.5 mt -103.42 76.59 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.283 -0.636 . . . . 2.77 109.283 177.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.413 HD22 ' N ' ' A' ' 45' ' ' ASN . 0.9 OUTLIER 65.28 -81.86 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.044 -0.98 . . . . 3.8399999999999999 111.293 -179.74 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -125.27 29.54 6.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.821 0.344 . . . . 4.7599999999999998 110.836 -178.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.7 m -147.04 115.34 6.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.801 0.334 . . . . 3.3300000000000001 110.434 178.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.1 t -102.03 121.39 52.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.239 -0.437 . . . . 2.3700000000000001 110.765 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.42 ' O ' HG22 ' A' ' 42' ' ' VAL . 78.2 m-85 -120.28 126.88 51.68 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.009 -0.542 . . . . 4.1299999999999999 110.001 178.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.477 ' HB3' ' HG2' ' A' ' 41' ' ' GLU . 8.4 ptp180 -104.13 141.51 36.1 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.885 0.374 . . . . 4.8399999999999999 110.821 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -133.66 174.35 10.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.98 -0.554 . . . . 4.5599999999999996 109.817 177.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -121.04 136.23 55.03 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.132 -0.692 . . . . 2.46 109.132 179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -94.82 121.58 36.56 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.781 0.324 . . . . 1.1599999999999999 110.6 -177.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.2 p90 -83.93 107.07 16.08 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.473 0.654 . . . . 3.5600000000000001 110.934 -177.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -115.26 112.24 22.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.724 -0.671 . . . . 1.49 109.683 177.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 19' ' ' SER . 24.6 m -105.66 104.61 14.37 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.228 0.537 . . . . 1.0700000000000001 110.079 178.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -102.52 169.84 8.41 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.66 -0.7 . . . . 2.48 109.565 -176.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.416 ' HB2' HG23 ' A' ' 82' ' ' THR . 1.7 t -108.52 112.35 24.68 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.982 0.42 . . . . 1.73 110.264 -178.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.512 ' NE ' ' HB ' ' A' ' 18' ' ' VAL . 88.5 mtt180 -68.35 -38.55 81.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.687 -0.688 . . . . 3.48 110.396 -179.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -121.54 105.5 10.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.924 -0.58 . . . . 2.5800000000000001 110.521 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.447 ' HA ' ' HB2' ' A' ' 80' ' ' CYS . 6.1 p -71.8 -28.39 63.57 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.969 -0.56 . . . . 2.7599999999999998 110.23 178.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -139.0 74.39 37.12 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.434 -0.803 . . . . 2.5899999999999999 109.754 176.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -55.9 -36.13 95.14 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.486 2.124 . . . . 2.5699999999999998 112.489 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.4 m -119.09 162.02 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.538 -0.542 . . . . 2.5299999999999998 109.538 176.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -76.6 51.43 0.74 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.309 0.576 . . . . 4.1900000000000004 111.147 -177.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.9 m -161.11 -26.56 0.06 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.19 -0.914 . . . . 3.8999999999999999 109.165 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.471 ' HA3' ' HB3' ' A' ' 78' ' ' SER . . . 138.42 -115.23 1.14 Allowed Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 110.875 -0.89 . . . . 2.6000000000000001 110.875 -177.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.43 ' SG ' HG12 ' A' ' 71' ' ' ILE . 13.9 p -90.56 149.29 22.21 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.294 -0.632 . . . . 1.73 109.294 176.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -66.86 118.37 10.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.409 -0.36 . . . . 3.9399999999999999 111.647 -173.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.33 -28.19 4.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.639 -0.791 . . . . 1.6100000000000001 112.613 176.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.43 HG12 ' SG ' ' A' ' 68' ' ' CYS . 48.5 mm -70.53 143.02 15.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.852 0.358 . . . . 1.6499999999999999 111.623 -176.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -74.59 122.29 22.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.073 -0.512 . . . . 3.3199999999999998 110.344 176.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.1 m -70.25 -19.72 63.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.728 -0.669 . . . . 4.6299999999999999 112.547 -173.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -89.25 -43.32 11.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.629 0.252 . . . . 3.0600000000000001 111.398 -174.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -89.15 -26.95 21.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.534 -0.303 . . . . 3.5099999999999998 111.782 -176.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -133.19 154.93 50.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.485 0.66 . . . . 3.1699999999999999 111.528 -175.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -122.1 134.32 54.76 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 107.843 -1.169 . . . . 2.6899999999999999 107.843 168.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.471 ' HB3' ' HA3' ' A' ' 67' ' ' GLY . 16.1 t -121.04 158.63 27.39 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.139 0.495 . . . . 1.9299999999999999 111.656 -170.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.549 ' O ' HG22 ' A' ' 111' ' ' VAL . 74.9 t80 -155.35 136.62 13.97 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.981 -0.748 . . . . 3.73 108.981 177.334 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.828 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 61.4 m -91.18 111.39 22.85 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.972 0.415 . . . . 1.6699999999999999 110.073 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.512 ' HG1' ' HD1' ' A' ' 79' ' ' TYR . 24.6 m -114.08 134.83 54.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.934 -0.576 . . . . 2.2400000000000002 111.037 -173.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.416 HG23 ' HB2' ' A' ' 58' ' ' CYS . 0.7 OUTLIER -81.62 122.05 27.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.014 0.435 . . . . 2.7799999999999998 111.638 176.629 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.3 p -78.59 157.27 28.78 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.945 -0.571 . . . . 2.6899999999999999 109.711 173.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -131.16 134.3 46.39 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.943 0.402 . . . . 3.71 110.767 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.679 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 13.7 t -121.78 168.23 12.07 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.686 -0.487 . . . . 1.48 109.686 -179.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.462 ' CE1' ' HB3' ' A' ' 103' ' ' ARG . 95.7 m-85 -115.16 117.63 31.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.891 0.377 . . . . 1.75 110.633 -175.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.2 m -111.88 145.34 18.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.003 -0.544 . . . . 1.0800000000000001 110.902 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 88' ' ' LYS . 11.4 pttm -79.12 111.82 15.71 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.489 0.661 . . . . 3.8199999999999998 110.677 177.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.96 149.53 50.77 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.537 -0.756 . . . . 1.1299999999999999 110.197 177.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.9 tp -76.49 108.38 9.43 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.391 -0.966 . . . . 1.45 108.391 174.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.499 HG22 ' HA ' ' A' ' 38' ' ' VAL . 61.5 p -125.55 159.29 32.44 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.506 -0.316 . . . . 1.1399999999999999 110.211 -175.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.415 ' CG2' ' HB ' ' A' ' 37' ' ' THR . 9.8 t -125.87 126.31 44.24 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.181 0.515 . . . . 1.3200000000000001 110.305 177.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -79.6 -17.85 52.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.865 -0.607 . . . . 2.4700000000000002 110.757 179.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -164.91 -57.94 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.518 -0.31 . . . . 3.0899999999999999 111.587 173.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -127.99 -51.9 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 O-C-N 122.155 -0.34 . . . . 3.29 111.747 -176.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -77.67 134.9 38.05 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.458 -0.337 . . . . 2.7400000000000002 110.908 -177.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -92.32 129.88 38.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.499 -0.319 . . . . 1.4399999999999999 110.177 176.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.08 153.25 42.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.818 0.342 . . . . 1.3799999999999999 110.994 -177.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -75.32 110.12 9.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.171 -0.468 . . . . 2.3500000000000001 110.289 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.47 ' NH2' ' HD2' ' A' ' 32' ' ' LYS . 11.7 mmm180 -123.74 156.57 35.76 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.055 -0.52 . . . . 3.48 110.257 -177.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.417 ' HB3' ' HB3' ' A' ' 86' ' ' PHE . 92.9 m-85 -94.53 114.29 26.25 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.011 -0.54 . . . . 1.98 109.717 176.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 36.7 pt -113.6 147.2 17.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.79 0.329 . . . . 0.85999999999999999 110.769 -176.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.679 ' HA ' ' O ' ' A' ' 85' ' ' THR . 39.8 ptt180 -87.77 129.95 35.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.334 0.587 . . . . 3.71 111.264 -176.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 30.0 pt -129.68 154.71 40.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.339 -0.846 . . . . 0.82999999999999996 109.991 176.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -65.88 123.7 20.5 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 121.102 0.477 . . . . 1.6899999999999999 110.049 177.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.429 HG22 HG22 ' B' ' 106' ' ' THR . 2.0 m -94.16 -56.48 2.83 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.624 -0.717 . . . . 2.29 111.154 -172.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -163.38 157.94 20.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.234 -0.439 . . . . 1.1399999999999999 110.485 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.828 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 50.8 t -96.3 119.31 34.55 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.763 -0.458 . . . . 1.5600000000000001 109.763 177.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.437 ' O ' ' HA ' ' A' ' 80' ' ' CYS . 19.2 m -108.08 152.07 10.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.024 -0.535 . . . . 1.0700000000000001 110.889 -175.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 36.6 t -95.04 110.4 22.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.068 -0.515 . . . . 1.45 109.643 176.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 79' ' ' TYR . 15.8 m -93.94 153.49 3.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.553 -0.294 . . . . 1.52 110.218 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.7 mt -127.61 139.21 52.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.314 0.578 . . . . 1.6699999999999999 111.614 -178.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.1 p -127.03 142.78 51.46 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.12 -0.946 . . . . 2.6200000000000001 108.467 172.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.444 ' HD2' ' O ' ' A' ' 115' ' ' LYS . 7.9 ppt_? -81.7 7.34 12.7 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.946 0.351 . . . . 6.7300000000000004 111.946 -172.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.444 ' O ' ' HD2' ' A' ' 114' ' ' ARG . 56.5 mtpt 69.58 -178.01 0.22 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.157 0.583 . . . . 4.5899999999999999 111.678 174.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 69.22 -75.73 0.07 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.388 -0.824 . . . . 4.5 111.79 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.45 172.28 12.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.91 0.386 . . . . 5.7400000000000002 110.991 -177.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.712 -0.661 . . . . 8.6699999999999999 109.88 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 27.2 t . . . . . 0 N--CA 1.476 0.837 0 N-CA-C 109.947 -0.39 . . . . 13.98 109.947 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 11.9 t 65.38 24.07 12.03 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.026 0.531 . . . . 12.76 110.891 177.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 11.4 p -82.56 137.13 34.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.337 -0.392 . . . . 11.359999999999999 110.833 -179.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 24.8 p-80 -148.25 99.03 3.69 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 120.996 0.426 . . . . 10.289999999999999 110.937 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -79.7 60.52 7.85 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.522 2.148 . . . . 7.6299999999999999 111.441 178.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 8.4 t 57.51 37.31 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.474 -0.785 . . . . 6.6500000000000004 109.427 -176.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 55.7 t80 54.32 45.54 27.01 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 114.985 -1.007 . . . . 7.2699999999999996 110.247 -177.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 34.8 t60 57.29 40.47 27.74 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.869 -0.605 . . . . 7.7199999999999998 109.525 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 19.7 ptp 47.1 30.83 1.43 Allowed 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.367 1.067 . . . . 5.3399999999999999 111.813 -174.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.471 ' HA2' HG11 ' A' ' 111' ' ' VAL . . . -106.34 5.38 38.34 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.883 -0.675 . . . . 3.98 112.763 -177.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -99.96 14.71 29.57 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.965 0.412 . . . . 4.6200000000000001 111.246 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . 0.467 ' HB2' ' HB ' ' A' ' 111' ' ' VAL . 63.4 m-85 -88.95 148.06 23.99 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.393 -0.595 . . . . 3.6499999999999999 109.393 175.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 44.1 m -139.89 129.7 24.63 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.762 0.315 . . . . 2.4199999999999999 111.048 -176.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.1 m -74.64 -18.23 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 121.152 0.501 . . . . 1.4099999999999999 110.545 174.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 68.7 m -127.24 132.98 50.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.406 -0.816 . . . . 1.75 109.626 177.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -66.98 115.69 6.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.858 0.361 . . . . 2.8700000000000001 110.182 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 5.6 p -125.43 154.5 41.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.123 0.487 . . . . 1.72 111.742 -174.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.504 ' HB ' ' NE ' ' B' ' 59' ' ' ARG . 3.7 p -122.41 115.86 47.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.518 -0.765 . . . . 1.51 110.174 179.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.424 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 11.7 t -103.33 116.69 32.92 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.715 -0.476 . . . . 1.6599999999999999 109.715 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 58.3 t -119.24 138.33 50.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.293 -0.412 . . . . 1.03 110.912 -176.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -101.79 95.18 6.24 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.569 -0.9 . . . . 1.6100000000000001 108.569 171.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.416 HG12 ' H ' ' B' ' 24' ' ' ASP . 44.1 t -80.13 111.14 16.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.271 -0.877 . . . . 0.95999999999999996 110.678 -173.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.31 10.64 73.87 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.693 -0.765 . . . . 1.27 112.346 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.416 ' H ' HG12 ' B' ' 22' ' ' VAL . 37.3 t70 -156.19 59.79 0.58 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.191 0.519 . . . . 3.0099999999999998 110.727 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -81.02 129.99 34.8 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.888 -0.782 . . . . 1.3200000000000001 108.888 175.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 9.0 t -100.97 -30.67 11.51 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.674 0.62 . . . . 1.8200000000000001 112.674 -170.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -146.12 145.8 30.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.836 0.35 . . . . 1.0 111.503 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.76 167.52 27.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.896 -0.593 . . . . 0.79000000000000004 110.611 177.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' B' ' 34' ' ' LYS . 27.3 m -99.68 119.72 38.56 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.974 -0.557 . . . . 1.01 110.606 178.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . 0.44 ' CG ' HH21 ' B' ' 100' ' ' ARG . 17.7 t70 -69.06 158.81 34.07 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.375 -0.829 . . . . 1.8400000000000001 110.038 177.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.8 tt -61.44 -20.89 23.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 116.089 -0.505 . . . . 1.3300000000000001 111.946 -176.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.469 ' HD2' ' NH2' ' B' ' 100' ' ' ARG . 97.0 mttt -85.09 -5.28 59.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.922 0.391 . . . . 2.2200000000000002 110.795 178.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.38 27.66 12.89 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.95 -0.643 . . . . 1.25 112.198 178.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' B' ' 29' ' ' THR . 75.3 mmtt -102.57 154.76 18.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.666 0.269 . . . . 2.1400000000000001 110.568 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -101.62 116.31 32.46 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.845 -0.798 . . . . 2.1899999999999999 108.845 174.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 24.8 m -125.39 151.48 31.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.198 0.523 . . . . 1.01 111.512 -174.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . 0.433 ' HB ' ' CG2' ' B' ' 92' ' ' THR . 41.7 m -81.87 119.79 24.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.221 -0.899 . . . . 1.04 109.636 176.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.506 ' HA ' HG22 ' B' ' 91' ' ' THR . 54.5 t -86.22 136.55 22.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 116.224 -0.444 . . . . 1.1000000000000001 110.689 -175.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 56.9 mt -109.39 108.09 18.5 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.225 -0.657 . . . . 1.9099999999999999 109.225 175.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.95 -25.94 65.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.36 0.6 . . . . 2.1800000000000002 110.056 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.459 ' HG2' ' HB3' ' B' ' 50' ' ' ARG . 30.4 mt-10 -106.74 114.59 28.78 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 114.909 -1.041 . . . . 3.5899999999999999 108.685 173.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.415 HG22 ' O ' ' B' ' 49' ' ' PHE . 19.4 m -90.63 123.29 42.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.334 0.588 . . . . 2.3900000000000001 110.304 -176.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -93.59 107.41 19.27 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.481 0.658 . . . . 3.25 109.81 178.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 59.7 mt -103.62 76.59 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.437 -0.579 . . . . 2.77 109.437 177.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 65.4 -82.23 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 114.941 -1.027 . . . . 3.8399999999999999 111.084 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -124.82 29.57 6.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.707 0.289 . . . . 4.7599999999999998 110.993 -178.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 22.0 m -147.06 115.38 6.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.796 0.332 . . . . 3.3300000000000001 110.36 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 61.3 t -101.99 121.71 53.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.979 0.419 . . . . 2.3799999999999999 110.75 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . 0.415 ' O ' HG22 ' B' ' 42' ' ' VAL . 78.4 m-85 -120.45 126.72 51.14 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.985 -0.552 . . . . 4.1299999999999999 110.048 178.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.459 ' HB3' ' HG2' ' B' ' 41' ' ' GLU . 8.5 ptp180 -104.13 141.0 37.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.912 0.387 . . . . 4.8399999999999999 110.918 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 -133.09 174.36 10.45 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.975 -0.557 . . . . 4.5599999999999996 109.784 177.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -120.98 136.26 55.02 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.22 -0.659 . . . . 2.4500000000000002 109.22 178.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -94.9 121.59 36.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.724 0.297 . . . . 1.1599999999999999 110.573 -177.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . 0.401 ' O ' HD12 ' B' ' 104' ' ' ILE . 13.6 p90 -83.97 107.1 16.14 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.392 0.615 . . . . 3.5600000000000001 110.985 -177.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -115.35 112.33 22.2 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.775 -0.648 . . . . 1.49 109.621 177.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.424 ' HA ' ' HA ' ' B' ' 19' ' ' SER . 24.5 m -105.59 104.59 14.34 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.262 0.554 . . . . 1.0700000000000001 110.097 178.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -102.54 169.99 8.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.657 -0.702 . . . . 2.48 109.657 -176.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' CYS . . . . . 0.417 ' HB2' HG23 ' B' ' 82' ' ' THR . 1.8 t -108.86 111.97 23.98 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.061 0.458 . . . . 1.73 110.249 -178.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . 0.504 ' NE ' ' HB ' ' B' ' 18' ' ' VAL . 88.7 mtt180 -68.05 -38.76 82.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.591 -0.732 . . . . 3.4900000000000002 110.408 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -121.42 105.37 10.44 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.047 -0.524 . . . . 2.5800000000000001 110.524 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . 0.44 ' HA ' ' HB2' ' B' ' 80' ' ' CYS . 5.4 p -71.67 -28.25 63.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.024 -0.534 . . . . 2.7599999999999998 110.352 178.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -139.15 74.7 35.72 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 115.517 -0.765 . . . . 2.5899999999999999 109.526 176.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -55.94 -36.41 95.71 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.623 2.216 . . . . 2.5699999999999998 112.338 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 35.7 m -119.02 162.2 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.688 -0.486 . . . . 2.5299999999999998 109.688 176.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -76.93 51.25 0.78 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.351 0.596 . . . . 4.2000000000000002 110.99 -177.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 19.6 m -160.88 -26.43 0.06 Allowed 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.191 -0.913 . . . . 3.8999999999999999 109.183 -179.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.466 ' HA3' ' HB3' ' B' ' 78' ' ' SER . . . 138.17 -115.36 1.17 Allowed Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.892 -0.883 . . . . 2.6000000000000001 110.892 -177.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.443 ' SG ' HG12 ' B' ' 71' ' ' ILE . 14.1 p -90.66 149.59 22.02 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.158 -0.682 . . . . 1.74 109.158 176.081 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -67.14 118.42 10.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.286 -0.415 . . . . 3.9500000000000002 111.539 -173.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.17 -28.23 4.12 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 1.6000000000000001 112.619 176.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . 0.443 HG12 ' SG ' ' B' ' 68' ' ' CYS . 48.3 mm -70.47 142.53 15.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.752 0.31 . . . . 1.6499999999999999 111.673 -176.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -74.18 122.33 22.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.067 -0.515 . . . . 3.3199999999999998 110.399 176.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 3.1 m -70.12 -20.16 63.19 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.71 -0.677 . . . . 4.6299999999999999 112.37 -173.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -89.16 -43.11 11.27 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 121.141 -0.224 . . . . 3.0600000000000001 111.378 -174.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -89.21 -27.15 20.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.55 -0.296 . . . . 3.5099999999999998 111.615 -176.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -133.17 154.78 50.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.462 0.649 . . . . 3.1699999999999999 111.47 -174.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -121.93 134.32 54.84 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.92 -1.141 . . . . 2.7000000000000002 107.92 168.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.466 ' HB3' ' HA3' ' B' ' 67' ' ' GLY . 16.5 t -121.11 158.74 27.24 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.277 0.561 . . . . 1.9299999999999999 111.623 -170.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . 0.54 ' O ' HG22 ' B' ' 111' ' ' VAL . 73.7 t80 -155.47 136.52 13.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.343 -0.844 . . . . 3.73 109.153 177.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.83 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 61.4 m -91.29 110.93 22.23 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.014 0.435 . . . . 1.6699999999999999 110.11 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.438 ' HG1' ' HD1' ' B' ' 79' ' ' TYR . 24.2 m -113.56 135.16 54.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.873 -0.603 . . . . 2.25 111.065 -173.217 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.417 HG23 ' HB2' ' B' ' 58' ' ' CYS . 0.8 OUTLIER -81.63 122.06 27.13 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.022 0.439 . . . . 2.7799999999999998 111.834 176.34 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 11.3 p -78.51 157.36 28.88 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.913 -0.585 . . . . 2.6899999999999999 109.727 173.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -131.48 134.47 46.19 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.892 0.377 . . . . 3.71 110.737 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.675 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 13.5 t -121.94 168.2 12.17 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.999 -0.546 . . . . 1.48 109.746 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.464 ' CE1' ' HB3' ' B' ' 103' ' ' ARG . 95.7 m-85 -115.16 117.62 31.03 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.878 0.371 . . . . 1.75 110.732 -175.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 19.2 m -111.83 145.22 18.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.977 -0.556 . . . . 1.0800000000000001 110.964 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . 0.415 ' O ' ' HG3' ' B' ' 88' ' ' LYS . 11.4 pttm -79.03 111.76 15.56 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.552 0.691 . . . . 3.8199999999999998 110.706 177.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.03 149.53 50.81 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.523 -0.762 . . . . 1.1299999999999999 110.053 177.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 18.8 tp -76.49 108.45 9.47 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.362 -0.977 . . . . 1.45 108.362 174.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . 0.506 HG22 ' HA ' ' B' ' 38' ' ' VAL . 60.3 p -125.57 159.16 32.79 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 116.399 -0.364 . . . . 1.1499999999999999 110.189 -175.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.433 ' CG2' ' HB ' ' B' ' 37' ' ' THR . 10.1 t -125.85 125.99 43.75 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-O 121.379 0.609 . . . . 1.3200000000000001 110.341 177.271 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -79.3 -17.97 53.56 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.871 -0.604 . . . . 2.46 110.865 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -164.57 -58.54 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.592 -0.276 . . . . 3.0899999999999999 111.499 173.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -127.59 -51.57 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 122.184 -0.322 . . . . 3.2999999999999998 111.748 -176.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -77.81 135.18 37.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.62 -0.264 . . . . 2.7400000000000002 110.763 -177.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -92.71 129.78 38.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.439 -0.346 . . . . 1.4399999999999999 110.069 176.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.17 152.99 42.4 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.438 -0.346 . . . . 1.3899999999999999 110.976 -176.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -75.07 109.85 8.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.196 -0.457 . . . . 2.3500000000000001 110.422 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' ARG . . . . . 0.469 ' NH2' ' HD2' ' B' ' 32' ' ' LYS . 11.6 mmm180 -123.62 156.29 36.09 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.913 -0.585 . . . . 3.48 110.307 -177.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.438 ' HB3' ' HB3' ' B' ' 86' ' ' PHE . 93.0 m-85 -94.23 114.28 26.35 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.997 -0.547 . . . . 1.98 109.76 176.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . 0.438 ' O ' ' HA ' ' B' ' 86' ' ' PHE . 36.3 pt -113.57 147.32 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.745 0.307 . . . . 0.85999999999999999 110.826 -176.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.675 ' HA ' ' O ' ' B' ' 85' ' ' THR . 39.8 ptt180 -87.99 129.46 35.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.426 0.632 . . . . 3.7200000000000002 111.449 -176.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' ILE . . . . . 0.401 HD12 ' O ' ' B' ' 54' ' ' PHE . 30.5 pt -129.13 154.71 40.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.271 -0.877 . . . . 0.82999999999999996 110.035 176.534 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -66.01 123.69 20.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.18 0.514 . . . . 1.6899999999999999 110.083 177.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . 0.429 HG22 HG22 ' A' ' 106' ' ' THR . 2.1 m -94.26 -56.4 2.85 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.695 -0.684 . . . . 2.29 111.138 -172.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -163.27 158.15 21.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.32 -0.4 . . . . 1.1499999999999999 110.507 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . 0.83 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 51.0 t -96.46 119.26 34.62 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.804 -0.443 . . . . 1.5600000000000001 109.804 177.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' B' ' 80' ' ' CYS . 19.0 m -108.08 151.96 10.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.988 -0.551 . . . . 1.0800000000000001 110.9 -175.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 36.3 t -94.98 110.31 22.23 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.96 -0.563 . . . . 1.45 109.613 176.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.54 HG22 ' O ' ' B' ' 79' ' ' TYR . 15.6 m -93.96 153.44 3.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 110.187 -0.301 . . . . 1.52 110.187 179.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 61.3 mt -127.59 139.21 52.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.272 0.558 . . . . 1.6699999999999999 111.666 -178.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 13.2 p -127.1 142.96 51.39 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.183 -0.917 . . . . 2.6200000000000001 108.543 171.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' ARG . . . . . 0.44 ' HD2' ' O ' ' B' ' 115' ' ' LYS . 7.8 ppt_? -81.48 7.43 11.95 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.133 0.42 . . . . 6.7199999999999998 112.133 -173.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . 0.44 ' O ' ' HD2' ' B' ' 114' ' ' ARG . 56.7 mtpt 69.57 -178.05 0.22 Allowed 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.222 0.609 . . . . 4.5899999999999999 111.643 174.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . 69.24 -75.93 0.06 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.449 -0.796 . . . . 4.5 111.855 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.33 172.06 13.2 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.778 0.323 . . . . 5.7400000000000002 110.846 -177.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.508 -0.758 . . . . 8.6799999999999997 109.76 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.478 0.969 0 CA-C-O 121.151 0.5 . . . . 13.98 109.955 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.6 p -136.56 8.64 3.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.056 -0.52 . . . . 12.75 110.668 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.2 p -89.48 95.37 10.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.059 -0.519 . . . . 11.35 110.932 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -136.36 105.03 9.32 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.001 -0.545 . . . . 10.279999999999999 110.875 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -78.51 63.23 8.42 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.668 2.245 . . . . 7.6299999999999999 111.837 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.0 t 57.31 33.24 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 115.628 -0.714 . . . . 6.6500000000000004 109.786 -178.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 52.84 39.32 28.75 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.52 -0.764 . . . . 7.2699999999999996 111.129 -176.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 65.48 14.54 9.53 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.798 -0.637 . . . . 7.7199999999999998 110.175 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 21.9 ptp 41.24 40.85 1.26 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.301 1.04 . . . . 5.3399999999999999 111.317 -174.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.451 ' HA2' HG11 ' B' ' 111' ' ' VAL . . . -157.92 -32.48 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.01 -0.995 . . . . 3.98 111.782 -177.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -87.44 71.76 9.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.151 0.501 . . . . 4.6299999999999999 110.131 -178.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -127.7 165.3 20.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.065 -0.516 . . . . 3.6499999999999999 111.269 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.2 t -150.58 144.1 25.07 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.753 -0.832 . . . . 2.4199999999999999 108.753 173.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.676 HG23 ' SG ' ' A' ' 110' ' ' CYS . 15.9 m -88.72 5.83 4.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.112 0.482 . . . . 1.4099999999999999 111.093 -178.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.538 ' HB2' ' SG ' ' A' ' 110' ' ' CYS . 34.3 t -143.94 152.2 40.78 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.57 -0.741 . . . . 1.75 109.46 176.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.61 114.48 3.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.992 0.425 . . . . 2.8700000000000001 110.733 -178.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.0 m -126.44 152.03 46.95 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.004 -0.544 . . . . 1.72 110.39 -176.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.503 ' HB ' ' NE ' ' A' ' 59' ' ' ARG . 7.4 p -129.19 120.3 51.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.427 -0.351 . . . . 1.51 110.43 174.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.414 ' HB3' ' CE2' ' A' ' 54' ' ' PHE . 50.0 m -97.82 111.72 23.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.959 0.409 . . . . 1.6599999999999999 110.286 179.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.3 t -119.45 138.1 51.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.133 -0.485 . . . . 1.03 110.849 -177.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -95.88 95.23 8.11 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.592 -0.892 . . . . 1.6100000000000001 108.592 171.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.9 t -80.29 120.41 31.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.639 -0.709 . . . . 0.95999999999999996 110.301 -175.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.504 ' HA2' ' O ' ' A' ' 51' ' ' GLN . . . -115.08 17.74 16.88 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.815 -0.707 . . . . 1.27 111.925 179.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -140.31 36.6 1.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 3.02 111.091 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.4 tttp -73.95 129.64 38.28 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.227 -0.657 . . . . 1.3200000000000001 109.227 178.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.6 p -101.03 -38.19 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.547 0.573 . . . . 1.8200000000000001 112.547 -172.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.97 139.31 30.6 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.776 0.322 . . . . 1.01 111.136 -178.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.22 163.84 35.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.011 -0.54 . . . . 0.79000000000000004 110.866 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.3 m -96.49 122.64 39.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.063 -0.517 . . . . 1.02 110.621 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -72.45 165.51 24.45 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.879 -0.6 . . . . 1.8500000000000001 110.022 176.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.1 tt -59.77 -26.93 36.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.81 0.338 . . . . 1.3300000000000001 111.119 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -80.48 -3.59 50.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.426 -0.352 . . . . 2.2200000000000002 111.025 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.72 10.49 60.18 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.99 -0.624 . . . . 1.25 112.385 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -86.54 137.07 32.81 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.741 0.305 . . . . 2.1400000000000001 111.283 -177.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -85.04 114.16 21.99 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.742 -0.836 . . . . 2.1899999999999999 108.742 172.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.0 m -120.6 152.94 23.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 116.199 -0.455 . . . . 1.02 111.156 -176.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.481 ' HB ' ' CG2' ' A' ' 92' ' ' THR . 18.7 m -87.53 114.9 24.57 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.399 -0.819 . . . . 1.04 110.228 -178.129 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.492 ' HA ' HG22 ' A' ' 91' ' ' THR . 53.8 t -81.1 137.23 21.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 116.015 -0.539 . . . . 1.1000000000000001 110.209 -177.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.5 mt -99.2 113.1 25.18 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.362 -0.607 . . . . 1.9099999999999999 109.362 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.544 ' O ' ' HA ' ' A' ' 50' ' ' ARG . . . -65.61 -36.36 83.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.307 0.575 . . . . 2.1800000000000002 109.742 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -114.68 114.59 25.86 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.989 -1.005 . . . . 3.5899999999999999 108.702 176.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.618 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 34.3 m -104.1 132.11 51.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.988 0.423 . . . . 2.3999999999999999 111.394 -175.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -95.7 99.17 11.05 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.969 -0.559 . . . . 3.25 109.708 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.6 mt -115.45 100.13 9.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.284 -0.417 . . . . 2.77 110.076 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 57.71 50.32 10.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.419 0.628 . . . . 3.8399999999999999 110.021 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 63.8 20.77 12.38 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.197 -0.91 . . . . 4.7599999999999998 111.855 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 31.4 t -119.11 121.47 39.86 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.801 -0.814 . . . . 3.3300000000000001 108.801 175.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.618 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 46.8 t -103.48 109.9 28.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.092 0.472 . . . . 2.3700000000000001 111.313 -175.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.443 ' O ' HG22 ' A' ' 42' ' ' VAL . 63.9 m-85 -109.85 149.57 29.66 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.944 -0.571 . . . . 4.1299999999999999 109.902 175.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.544 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 20.4 ttm180 -97.78 136.81 37.58 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.944 0.402 . . . . 4.8399999999999999 110.148 177.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.504 ' O ' ' HA2' ' A' ' 23' ' ' GLY . 85.8 mm-40 -85.94 108.75 18.33 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.675 -0.693 . . . . 4.5599999999999996 111.329 -176.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -93.65 123.49 37.01 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.557 -0.534 . . . . 2.46 109.557 175.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -114.07 124.48 52.22 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.72 0.295 . . . . 1.1599999999999999 110.576 178.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.414 ' CE2' ' HB3' ' A' ' 19' ' ' SER . 84.4 t80 -84.57 97.05 9.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.101 -0.5 . . . . 3.5600000000000001 110.245 -178.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.501 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 39.8 mt-10 -106.31 110.0 22.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.076 -0.511 . . . . 1.49 110.608 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 52.5 m -96.43 98.45 10.26 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.941 -0.763 . . . . 1.0700000000000001 108.941 172.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.427 ' HA ' HG21 ' A' ' 82' ' ' THR . 23.4 mtpp -103.43 153.64 20.28 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.423 -0.808 . . . . 2.48 110.659 -169.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.644 ' SG ' HG23 ' A' ' 82' ' ' THR . 75.6 m -74.8 109.82 8.58 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.091 -0.504 . . . . 1.73 110.573 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.503 ' NE ' ' HB ' ' A' ' 18' ' ' VAL . 66.1 mtt180 -67.75 -50.6 56.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.179 -0.464 . . . . 3.48 110.372 176.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -148.02 96.5 2.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.701 -0.681 . . . . 2.5800000000000001 110.394 -178.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.1 p -66.48 140.64 58.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.979 -0.555 . . . . 2.7599999999999998 110.569 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.692 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 14.9 m120 68.31 70.94 0.41 Allowed Pre-proline 0 N--CA 1.465 0.311 0 O-C-N 123.609 0.568 . . . . 2.5899999999999999 110.905 -178.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -62.55 -27.44 76.63 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.388 2.059 . . . . 2.5699999999999998 111.692 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.7 m -112.32 163.59 9.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.893 -0.594 . . . . 2.5299999999999998 109.495 176.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -80.45 58.37 3.14 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.954 0.407 . . . . 4.1900000000000004 111.357 -175.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.5 p -170.12 -66.56 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.67 -0.695 . . . . 3.8999999999999999 109.98 179.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.692 ' O ' ' HA ' ' A' ' 62' ' ' ASN . . . -151.78 -84.43 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.859 -0.609 . . . . 2.6000000000000001 112.138 179.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 74.1 m -140.44 173.4 11.54 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.676 0.274 . . . . 1.73 111.045 -178.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 69' ' ' ARG . 44.2 mtt180 -72.92 136.26 45.19 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.848 -0.427 . . . . 3.9399999999999999 109.848 -178.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.49 -46.2 3.46 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.822 -0.704 . . . . 1.6100000000000001 112.028 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.675 HG22 ' H ' ' A' ' 72' ' ' ASP . 9.8 mm -76.14 178.9 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.574 -0.528 . . . . 1.6499999999999999 109.574 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.675 ' H ' HG22 ' A' ' 71' ' ' ILE . 15.1 m-20 69.26 70.11 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.341 0.591 . . . . 3.3199999999999998 111.055 173.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.3 m -117.56 -66.85 1.04 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.66 -0.7 . . . . 4.6299999999999999 110.471 178.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -126.61 -60.99 1.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.076 0.398 . . . . 3.0600000000000001 112.076 -175.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -113.14 5.58 17.13 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.489 0.552 . . . . 3.5099999999999998 112.489 -172.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.509 ' O ' ' HA ' ' A' ' 72' ' ' ASP . 74.6 m95 -123.21 137.66 54.83 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.162 0.506 . . . . 3.1699999999999999 111.411 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.437 ' HA ' ' OD1' ' A' ' 72' ' ' ASP . 6.4 t30 -124.79 134.89 52.61 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.015 -0.993 . . . . 2.6899999999999999 108.324 174.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.484 ' OG ' ' HB3' ' A' ' 110' ' ' CYS . 5.9 t -115.84 173.18 6.7 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.227 0.537 . . . . 1.9299999999999999 111.975 -173.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -170.94 140.16 1.54 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.315 -0.857 . . . . 3.73 109.484 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.532 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 7.2 m -86.09 119.15 26.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.813 0.339 . . . . 1.6699999999999999 110.759 -177.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 27.3 m -133.45 133.33 42.16 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.124 -0.489 . . . . 2.2400000000000002 109.784 178.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.644 HG23 ' SG ' ' A' ' 58' ' ' CYS . 5.8 p -79.91 120.58 24.32 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.842 0.353 . . . . 2.7799999999999998 110.613 177.276 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.0 t -76.09 153.49 36.29 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 108.299 -1.0 . . . . 2.6899999999999999 108.299 173.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -122.13 130.21 53.03 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.906 0.384 . . . . 3.71 111.161 -172.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.624 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 10.2 t -114.26 158.84 20.86 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.375 -0.602 . . . . 1.48 109.375 177.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -106.63 115.83 30.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.018 0.437 . . . . 1.75 110.054 -178.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.3 m -110.23 139.29 34.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.975 -0.557 . . . . 1.0800000000000001 111.067 -177.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.513 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 20.6 pttm -68.19 114.44 6.69 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.418 0.628 . . . . 3.8199999999999998 110.702 178.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.4 142.74 50.73 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.697 -0.683 . . . . 1.1299999999999999 110.341 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.2 tp -79.93 104.43 10.5 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 108.571 -0.9 . . . . 1.45 108.571 174.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.492 HG22 ' HA ' ' A' ' 38' ' ' VAL . 72.1 p -117.65 152.47 35.13 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.879 -0.6 . . . . 1.1399999999999999 109.948 -175.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.481 ' CG2' ' HB ' ' A' ' 37' ' ' THR . 10.2 t -96.4 114.21 25.87 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.657 0.742 . . . . 1.3200000000000001 109.225 177.165 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -63.66 -33.81 76.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 114.871 -1.059 . . . . 2.4700000000000002 109.878 -177.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -157.4 -63.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.035 -0.984 . . . . 3.0899999999999999 108.709 173.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -139.8 27.59 2.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.806 -0.634 . . . . 3.29 109.667 173.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -136.72 118.81 15.41 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.448 -0.797 . . . . 2.7400000000000002 109.862 -177.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.45 122.34 21.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.84 -0.618 . . . . 1.4399999999999999 110.363 177.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.02 145.71 33.17 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.227 -0.442 . . . . 1.3799999999999999 110.459 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -74.88 114.48 13.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.09 0.471 . . . . 2.3500000000000001 110.881 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.513 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 33.4 mmt180 -114.07 173.29 6.51 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.457 -0.792 . . . . 3.48 109.578 176.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -119.48 107.96 13.96 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.324 -0.991 . . . . 1.98 108.324 176.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 39.7 pt -111.53 143.45 21.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.281 0.562 . . . . 0.85999999999999999 111.45 -169.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.624 ' HA ' ' O ' ' A' ' 85' ' ' THR . 26.5 ptt180 -77.9 126.24 30.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.142 -0.936 . . . . 3.71 111.247 -176.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 46.3 pt -125.26 148.9 29.68 Favored 'Isoleucine or valine' 0 C--O 1.243 0.758 0 CA-C-N 115.521 -0.763 . . . . 0.82999999999999996 110.015 173.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.501 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 30.5 m-20 -66.25 110.19 2.94 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.747 -0.66 . . . . 1.6899999999999999 109.26 176.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -90.98 -42.64 10.44 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.932 -0.576 . . . . 2.29 111.395 -170.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.492 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -158.08 140.25 14.22 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.262 -0.427 . . . . 1.1399999999999999 110.86 -178.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.532 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 41.9 t -90.46 98.91 12.06 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.668 -0.864 . . . . 1.5600000000000001 108.668 176.364 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 m -101.06 151.72 5.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.124 -0.489 . . . . 1.0700000000000001 110.96 -172.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.676 ' SG ' HG23 ' A' ' 14' ' ' VAL . 67.1 m -96.46 109.0 21.64 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.755 -0.461 . . . . 1.45 109.755 175.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.6 m -71.78 165.06 3.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.434 -0.803 . . . . 1.52 110.705 -177.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.5 mt -119.64 136.77 54.25 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.079 0.466 . . . . 1.6699999999999999 109.888 174.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.1 t -131.45 141.34 49.78 Favored 'General case' 0 C--N 1.314 -0.965 0 N-CA-C 108.678 -0.86 . . . . 2.6200000000000001 108.678 173.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.439 ' O ' ' HB2' ' A' ' 115' ' ' LYS . 20.3 tpt180 -76.5 8.99 2.97 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.603 -0.271 . . . . 6.7300000000000004 110.546 -177.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 114' ' ' ARG . 60.1 mtpt 77.86 -40.13 0.31 Allowed 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.77 0.828 . . . . 4.5899999999999999 110.971 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -115.72 78.68 1.2 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.692 -0.485 . . . . 4.5 109.692 173.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 10.6 p -109.82 6.52 23.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.002 -0.545 . . . . 5.7400000000000002 111.35 -177.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.465 ' HA ' ' NE ' ' A' ' 118' ' ' ARG . 3.7 mmp_? . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.455 -0.784 . . . . 8.6699999999999999 110.054 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 22.4 t . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 121.06 0.457 . . . . 13.98 110.053 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 27.8 p -136.29 9.0 3.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.151 -0.477 . . . . 12.76 110.697 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 5.8 p -89.44 95.44 10.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.921 -0.581 . . . . 11.359999999999999 110.893 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -136.46 105.29 9.24 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.005 -0.543 . . . . 10.289999999999999 110.801 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -78.5 62.78 8.32 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.705 2.27 . . . . 7.6299999999999999 111.775 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 5.2 t 57.7 32.76 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-N 115.606 -0.725 . . . . 6.6500000000000004 109.713 -178.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 53.4 39.16 29.49 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.601 -0.727 . . . . 7.2699999999999996 111.041 -176.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 65.68 14.07 9.31 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.715 -0.675 . . . . 7.7199999999999998 110.126 178.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 22.1 ptp 41.43 41.4 1.54 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.334 1.054 . . . . 5.3399999999999999 111.107 -174.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.21 -32.45 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.035 -0.984 . . . . 3.98 111.878 -177.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -87.32 71.45 9.97 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.08 0.467 . . . . 4.6200000000000001 110.217 -178.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -127.51 165.1 20.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.982 -0.553 . . . . 3.6499999999999999 111.237 -179.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 23.6 t -150.34 144.44 25.51 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.776 -0.824 . . . . 2.4199999999999999 108.776 173.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.666 HG23 ' SG ' ' B' ' 110' ' ' CYS . 15.9 m -88.87 6.03 4.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.085 0.469 . . . . 1.4099999999999999 111.148 -178.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.546 ' HB2' ' SG ' ' B' ' 110' ' ' CYS . 34.7 t -144.14 152.2 40.58 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.559 -0.746 . . . . 1.75 109.41 176.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.64 114.56 3.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.0 0.428 . . . . 2.8700000000000001 110.717 -178.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 15.9 m -126.71 151.76 47.71 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.874 -0.603 . . . . 1.72 110.607 -176.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.502 ' HB ' ' NE ' ' B' ' 59' ' ' ARG . 7.3 p -129.15 120.16 50.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.879 0.371 . . . . 1.51 110.401 175.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.41 ' HB3' ' CE2' ' B' ' 54' ' ' PHE . 50.7 m -97.38 111.74 23.87 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.937 0.399 . . . . 1.6599999999999999 110.26 179.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 55.3 t -119.56 137.79 52.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.158 -0.473 . . . . 1.03 110.779 -177.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -95.62 95.28 8.25 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.773 -0.825 . . . . 1.6100000000000001 108.773 170.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 48.7 t -80.3 120.5 31.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.551 -0.75 . . . . 0.95999999999999996 110.267 -175.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.49 ' HA2' ' O ' ' B' ' 51' ' ' GLN . . . -115.04 17.84 16.89 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.755 -0.736 . . . . 1.27 111.996 179.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -140.56 37.26 1.84 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.921 0.391 . . . . 3.0099999999999998 111.036 -179.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -74.39 129.45 37.79 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.159 -0.682 . . . . 1.3200000000000001 109.159 178.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 40.0 p -100.74 -38.07 8.45 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.46 0.541 . . . . 1.8200000000000001 112.46 -172.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.96 139.5 30.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.797 0.332 . . . . 1.0 111.213 -178.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.3 164.09 34.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.115 -0.493 . . . . 0.79000000000000004 110.951 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 2.4 m -96.82 122.68 40.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.089 -0.505 . . . . 1.01 110.572 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -72.62 165.14 25.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.795 -0.639 . . . . 1.8400000000000001 109.94 176.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.1 tt -59.68 -26.47 35.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-O 121.001 0.429 . . . . 1.3300000000000001 111.214 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -80.69 -3.8 52.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.344 -0.389 . . . . 2.2200000000000002 110.935 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 92.55 10.72 60.17 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.87 -0.681 . . . . 1.25 112.334 177.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -86.62 137.14 32.72 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.754 0.312 . . . . 2.1400000000000001 111.221 -178.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -85.15 114.02 21.96 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.901 -0.777 . . . . 2.1899999999999999 108.901 172.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 16.7 m -120.41 152.6 23.38 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 120.989 0.423 . . . . 1.01 111.181 -176.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . 0.47 ' HB ' ' CG2' ' B' ' 92' ' ' THR . 19.3 m -87.0 114.76 23.88 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.409 -0.814 . . . . 1.04 110.182 -178.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.481 ' HA ' HG22 ' B' ' 91' ' ' THR . 54.4 t -80.7 137.71 20.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.922 -0.581 . . . . 1.1000000000000001 110.122 -177.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 69.3 mt -99.51 113.56 26.03 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.273 -0.64 . . . . 1.9099999999999999 109.273 177.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.545 ' O ' ' HA ' ' B' ' 50' ' ' ARG . . . -65.71 -36.38 83.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.293 0.568 . . . . 2.1800000000000002 109.865 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -114.59 114.91 26.34 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.921 -1.036 . . . . 3.5899999999999999 108.755 176.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.623 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 34.5 m -104.56 132.45 51.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.068 0.461 . . . . 2.3900000000000001 111.237 -175.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -96.04 99.05 10.85 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.737 -0.665 . . . . 3.25 109.827 177.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 65.7 mt -115.42 100.1 9.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.143 -0.481 . . . . 2.77 110.063 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 57.73 50.46 10.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.798 -0.637 . . . . 3.8399999999999999 110.033 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 63.89 20.14 12.07 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.106 -0.952 . . . . 4.7599999999999998 111.939 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 32.2 t -118.73 121.72 40.78 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.986 -0.746 . . . . 3.3300000000000001 108.986 175.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.623 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 47.2 t -103.61 109.39 26.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.957 0.408 . . . . 2.3799999999999999 111.4 -175.07 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . 0.446 ' O ' HG22 ' B' ' 42' ' ' VAL . 64.0 m-85 -109.5 149.43 29.61 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.009 -0.542 . . . . 4.1299999999999999 109.95 175.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.545 ' HA ' ' O ' ' B' ' 40' ' ' ALA . 20.5 ttm180 -97.5 137.0 37.12 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.86 0.362 . . . . 4.8399999999999999 110.169 177.219 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.49 ' O ' ' HA2' ' B' ' 23' ' ' GLY . 85.9 mm-40 -86.06 108.51 18.3 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.642 -0.708 . . . . 4.5599999999999996 111.375 -176.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -93.61 123.53 37.0 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.649 -0.5 . . . . 2.4500000000000002 109.649 175.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -114.03 124.66 52.67 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.668 0.27 . . . . 1.1599999999999999 110.664 178.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . 0.41 ' CE2' ' HB3' ' B' ' 19' ' ' SER . 84.4 t80 -84.67 97.08 9.44 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.16 -0.473 . . . . 3.5600000000000001 110.201 -178.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . 0.503 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 39.4 mt-10 -106.45 109.91 21.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.95 -0.568 . . . . 1.49 110.523 179.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 53.4 m -96.48 98.54 10.31 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.846 -0.798 . . . . 1.0700000000000001 108.846 173.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . 0.437 ' HA ' HG21 ' B' ' 82' ' ' THR . 23.5 mtpp -103.56 153.89 20.09 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.423 -0.808 . . . . 2.48 110.614 -169.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' CYS . . . . . 0.647 ' SG ' HG23 ' B' ' 82' ' ' THR . 75.4 m -75.12 109.84 8.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.085 -0.507 . . . . 1.73 110.609 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . 0.502 ' NE ' ' HB ' ' B' ' 18' ' ' VAL . 65.9 mtt180 -67.85 -50.2 57.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.021 -0.536 . . . . 3.4900000000000002 110.477 176.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -148.25 96.82 2.68 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.737 -0.665 . . . . 2.5800000000000001 110.277 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 16.7 p -67.0 140.36 57.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.033 -0.531 . . . . 2.7599999999999998 110.533 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . 0.696 ' HA ' ' O ' ' B' ' 67' ' ' GLY . 14.8 m120 68.6 70.72 0.4 Allowed Pre-proline 0 N--CA 1.466 0.33 0 O-C-N 123.657 0.598 . . . . 2.5899999999999999 110.849 -178.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -62.09 -27.97 79.57 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.498 2.132 . . . . 2.5699999999999998 111.642 177.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 34.6 m -111.83 163.88 8.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.67 -0.696 . . . . 2.5299999999999998 109.437 176.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -80.77 57.05 2.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.02 0.438 . . . . 4.2000000000000002 111.346 -175.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 10.1 p -169.21 -66.31 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.868 -0.606 . . . . 3.8999999999999999 109.754 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.696 ' O ' ' HA ' ' B' ' 62' ' ' ASN . . . -151.76 -84.2 0.04 OUTLIER Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.891 -0.671 . . . . 2.6000000000000001 112.113 179.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 77.2 m -140.56 173.11 11.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.799 0.333 . . . . 1.74 111.104 -178.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -72.63 135.96 45.6 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.848 -0.427 . . . . 3.9500000000000002 109.848 -178.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.84 -46.4 3.43 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.727 -0.749 . . . . 1.6000000000000001 111.969 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . 0.678 HG22 ' H ' ' B' ' 72' ' ' ASP . 9.6 mm -76.36 178.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.618 -0.512 . . . . 1.6499999999999999 109.618 179.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . 0.678 ' H ' HG22 ' B' ' 71' ' ' ILE . 14.8 m-20 69.93 69.74 0.23 Allowed 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.353 0.597 . . . . 3.3199999999999998 111.111 173.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 15.4 m -117.07 -67.01 1.02 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.608 -0.724 . . . . 4.6299999999999999 110.493 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -126.7 -60.89 1.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.935 0.346 . . . . 3.0600000000000001 111.935 -175.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -113.48 5.92 16.89 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.534 0.568 . . . . 3.5099999999999998 112.534 -172.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' TRP . . . . . 0.518 ' O ' ' HA ' ' B' ' 72' ' ' ASP . 75.0 m95 -123.38 137.58 54.79 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.234 0.54 . . . . 3.1699999999999999 111.386 179.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' ASN . . . . . 0.437 ' HA ' ' OD1' ' B' ' 72' ' ' ASP . 6.6 t30 -124.76 135.05 52.64 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.021 -0.99 . . . . 2.7000000000000002 108.425 174.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.489 ' OG ' ' HB3' ' B' ' 110' ' ' CYS . 5.8 t -115.67 173.53 6.49 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.29 0.567 . . . . 1.9299999999999999 112.188 -173.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -171.31 140.09 1.4 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.28 -0.873 . . . . 3.73 109.478 178.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.539 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 7.1 m -86.02 119.16 26.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.897 0.379 . . . . 1.6699999999999999 110.781 -177.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 26.9 m -133.53 133.29 41.96 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.087 -0.506 . . . . 2.25 109.752 178.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.647 HG23 ' SG ' ' B' ' 58' ' ' CYS . 6.8 p -80.05 120.45 24.24 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-O 120.789 0.328 . . . . 2.7799999999999998 110.692 177.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 14.9 t -76.03 153.33 36.52 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.131 -1.063 . . . . 2.6899999999999999 108.131 174.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -121.89 130.11 53.1 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 120.967 0.413 . . . . 3.71 111.308 -172.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.632 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 10.3 t -114.0 158.89 20.58 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.366 -0.605 . . . . 1.48 109.366 177.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.411 ' HB3' ' HB3' ' B' ' 101' ' ' PHE . 95.6 m-85 -106.53 115.94 31.07 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.956 0.408 . . . . 1.75 109.983 -178.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 16.2 m -110.39 139.5 33.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.937 -0.574 . . . . 1.0800000000000001 110.955 -177.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . 0.52 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 20.7 pttm -68.38 114.43 6.82 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.835 -0.62 . . . . 3.8199999999999998 110.719 178.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.53 142.83 50.68 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.687 -0.688 . . . . 1.1299999999999999 110.195 178.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 23.3 tp -79.86 104.32 10.36 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.598 -0.89 . . . . 1.45 108.598 174.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . 0.481 HG22 ' HA ' ' B' ' 38' ' ' VAL . 71.1 p -117.65 152.49 35.08 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.033 -0.53 . . . . 1.1499999999999999 110.004 -175.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.47 ' CG2' ' HB ' ' B' ' 37' ' ' THR . 10.0 t -96.36 114.15 25.8 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 121.531 0.682 . . . . 1.3200000000000001 109.314 177.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -63.85 -32.89 74.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.024 -0.989 . . . . 2.46 110.072 -177.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -158.19 -64.29 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.004 -0.998 . . . . 3.0899999999999999 108.536 173.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -139.54 27.89 2.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.865 -0.607 . . . . 3.2999999999999998 109.56 173.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -137.09 118.74 14.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.376 -0.829 . . . . 2.7400000000000002 109.918 -177.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -72.82 122.15 21.1 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.103 -0.499 . . . . 1.4399999999999999 110.431 177.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.91 145.73 33.35 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.073 -0.512 . . . . 1.3899999999999999 110.493 -179.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -74.79 114.22 12.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.14 -0.482 . . . . 2.3500000000000001 111.05 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' ARG . . . . . 0.52 ' O ' ' HA ' ' B' ' 88' ' ' LYS . 33.5 mmt180 -114.0 173.38 6.46 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.509 -0.769 . . . . 3.48 109.498 176.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.411 ' HB3' ' HB3' ' B' ' 86' ' ' PHE . 95.4 m-85 -119.63 108.0 13.93 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.373 -0.973 . . . . 1.98 108.373 176.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 39.8 pt -111.53 143.32 21.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.291 0.567 . . . . 0.85999999999999999 111.457 -169.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.632 ' HA ' ' O ' ' B' ' 85' ' ' THR . 26.2 ptt180 -77.77 126.49 30.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.15 -0.932 . . . . 3.7200000000000002 111.222 -176.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 46.4 pt -125.54 148.84 30.02 Favored 'Isoleucine or valine' 0 C--O 1.244 0.805 0 CA-C-N 115.647 -0.706 . . . . 0.82999999999999996 110.033 173.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . 0.503 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 32.5 m-20 -66.09 110.05 2.82 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.18 -0.674 . . . . 1.6899999999999999 109.18 176.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -91.03 -42.71 10.37 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 115.97 -0.559 . . . . 2.29 111.377 -170.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . 0.503 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -157.83 140.56 14.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.319 -0.4 . . . . 1.1499999999999999 110.704 -178.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . 0.539 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 42.0 t -90.69 98.97 12.09 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.694 -0.854 . . . . 1.5600000000000001 108.694 176.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 21.6 m -101.0 151.69 5.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.011 -0.541 . . . . 1.0800000000000001 110.955 -173.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.666 ' SG ' HG23 ' B' ' 14' ' ' VAL . 66.7 m -96.44 109.09 21.71 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.11 -0.496 . . . . 1.45 109.761 175.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.451 HG11 ' HA2' ' A' ' 10' ' ' GLY . 12.6 m -72.0 164.88 3.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.458 -0.792 . . . . 1.52 110.712 -177.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 69.2 mt -119.38 136.9 54.06 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.026 0.441 . . . . 1.6699999999999999 109.986 174.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 43.3 t -131.58 141.15 49.61 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 108.603 -0.888 . . . . 2.6200000000000001 108.603 173.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' ARG . . . . . 0.44 ' O ' ' HB2' ' B' ' 115' ' ' LYS . 20.5 tpt180 -76.33 8.93 2.93 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.468 -0.333 . . . . 6.7199999999999998 110.549 -177.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' B' ' 114' ' ' ARG . 59.8 mtpt 78.03 -39.95 0.29 Allowed 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.862 0.865 . . . . 4.5899999999999999 111.012 179.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -115.75 78.15 1.15 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.148 -0.478 . . . . 4.5 109.795 173.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 11.2 p -109.42 6.38 24.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.184 0.516 . . . . 5.7400000000000002 111.553 -177.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' ARG . . . . . 0.466 ' HA ' ' NE ' ' B' ' 118' ' ' ARG . 3.7 mmp_? . . . . . 0 C--O 1.247 0.924 0 CA-C-O 118.428 -0.796 . . . . 8.6799999999999997 109.936 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 N--CA 1.476 0.841 0 CA-C-O 120.613 0.244 . . . . 13.98 110.574 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.0 m -127.92 108.36 10.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.525 -0.307 . . . . 12.75 110.236 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.9 p -81.9 69.47 8.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.214 0.53 . . . . 11.35 111.226 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -108.79 113.84 59.21 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 109.147 -0.686 . . . . 10.279999999999999 109.147 177.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -73.76 66.44 4.84 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.757 2.305 . . . . 7.6299999999999999 113.045 -176.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.3 t 55.2 87.17 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 C-N-CA 123.106 0.562 . . . . 6.6500000000000004 111.464 175.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -60.57 -23.39 64.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.91 -0.586 . . . . 7.2699999999999996 111.039 -179.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -62.08 -20.01 63.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 7.7199999999999998 111.38 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 58.5 mtm -73.78 -14.71 61.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.911 0.386 . . . . 5.3399999999999999 110.124 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.02 4.57 55.94 Favored Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 111.396 -0.682 . . . . 3.98 111.396 175.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -100.62 12.26 37.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.991 0.424 . . . . 4.6299999999999999 110.243 178.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -87.65 68.5 9.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.195 0.522 . . . . 3.6499999999999999 110.648 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 m -61.36 118.72 7.29 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.439 -0.8 . . . . 2.4199999999999999 110.041 177.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.8 m -57.87 -30.31 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.134 0 CA-C-O 120.952 0.406 . . . . 1.4099999999999999 110.933 177.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.463 ' SG ' ' HB3' ' A' ' 60' ' ' ALA . 43.4 t -109.58 129.45 55.58 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.964 -0.562 . . . . 1.75 109.998 177.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -67.36 116.37 8.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.141 -0.481 . . . . 2.8700000000000001 110.151 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.8 p -132.01 155.57 47.78 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.923 -0.581 . . . . 1.72 110.587 -177.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 56' ' ' THR . 7.1 p -122.83 115.89 47.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.082 0.468 . . . . 1.51 110.893 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.0 m -89.46 119.71 30.15 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.576 -0.527 . . . . 1.6599999999999999 109.576 175.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 54' ' ' PHE . 53.7 t -118.31 137.48 52.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.092 -0.504 . . . . 1.03 110.973 -174.176 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.422 ' HA ' ' O ' ' A' ' 53' ' ' PHE . 97.6 m95 -95.08 96.91 9.55 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.826 -0.805 . . . . 1.6100000000000001 108.826 173.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.4 t -78.79 136.11 24.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.238 -0.892 . . . . 0.95999999999999996 110.288 -174.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.12 65.37 2.66 Favored Glycine 0 N--CA 1.45 -0.376 0 O-C-N 123.721 0.638 . . . . 1.27 112.616 -178.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 73.74 0.18 3.55 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.52 0.728 . . . . 3.02 112.018 172.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.3 tttt 51.85 -139.63 0.96 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.159 -0.473 . . . . 1.3200000000000001 110.72 176.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.2 m -147.05 -51.07 0.2 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.123 -0.361 . . . . 1.8200000000000001 110.822 176.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.0 p -133.06 146.3 51.55 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.486 -0.325 . . . . 1.01 110.596 179.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.39 164.56 29.9 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.327 -0.397 . . . . 0.79000000000000004 110.719 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.9 m -103.95 118.91 37.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.407 -0.361 . . . . 1.02 110.693 -179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -69.42 162.41 27.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.693 -0.685 . . . . 1.8500000000000001 110.204 177.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.0 tt -59.64 -25.83 32.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.889 0.376 . . . . 1.3300000000000001 111.419 -178.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -79.54 -6.29 56.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.783 0.325 . . . . 2.2200000000000002 111.116 179.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.94 20.58 39.01 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.867 -0.682 . . . . 1.25 111.926 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -95.19 131.78 40.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.565 0.221 . . . . 2.1400000000000001 110.653 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -84.05 115.09 22.18 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.863 -0.791 . . . . 2.1899999999999999 108.863 174.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.9 m -117.55 154.99 19.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 116.096 -0.502 . . . . 1.02 110.867 -175.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.2 m -91.75 128.36 37.56 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.726 -0.67 . . . . 1.04 110.043 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.512 ' HA ' HG22 ' A' ' 91' ' ' THR . 36.5 t -90.55 141.48 14.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.296 -0.411 . . . . 1.1000000000000001 110.017 -179.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.2 mt -86.34 126.76 34.57 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.979 -0.555 . . . . 1.9099999999999999 109.804 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.3 -25.78 67.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.451 0.643 . . . . 2.1800000000000002 109.89 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -137.13 125.28 23.01 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.868 -1.06 . . . . 3.5899999999999999 108.674 172.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 49' ' ' PHE . 31.6 m -89.61 126.74 42.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.285 0.564 . . . . 2.3999999999999999 110.396 -176.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -83.53 98.43 9.55 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.896 0.855 . . . . 3.25 110.624 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.8 mm -106.17 152.6 7.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 N-CA-C 107.702 -1.222 . . . . 2.77 107.702 175.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -54.89 108.51 0.4 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.778 0.323 . . . . 3.8399999999999999 111.097 -175.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 66.37 29.16 9.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.196 -0.911 . . . . 4.7599999999999998 111.685 178.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.4 t -161.83 115.3 1.86 Allowed 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 121.038 0.446 . . . . 3.3300000000000001 110.937 176.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.7 t -116.44 114.66 46.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 110.005 -0.369 . . . . 2.3700000000000001 110.005 177.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.444 ' O ' HG22 ' A' ' 42' ' ' VAL . 47.4 p90 -144.59 164.59 30.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.801 0.334 . . . . 4.1299999999999999 111.079 -175.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -84.23 146.01 28.03 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.017 -0.735 . . . . 4.8399999999999999 109.017 175.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.428 ' HB2' ' CE ' ' B' ' 88' ' ' LYS . 1.5 pp0? -109.65 -15.3 14.19 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.288 -0.565 . . . . 4.5599999999999996 112.513 -173.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 61.17 166.81 0.09 Allowed 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 113.255 0.835 . . . . 2.46 113.255 171.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.422 ' O ' ' HA ' ' A' ' 21' ' ' TRP . 40.8 m-85 -140.75 160.62 39.65 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.488 -0.778 . . . . 1.1599999999999999 110.085 172.188 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.416 ' HA ' ' O ' ' A' ' 20' ' ' VAL . 14.1 p90 -126.43 112.99 16.27 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.103 0.477 . . . . 3.5600000000000001 109.817 176.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 32.3 mt-10 -121.89 124.12 43.34 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.267 -0.424 . . . . 1.49 110.385 -178.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 66.3 m -100.78 113.23 25.96 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.123 -0.489 . . . . 1.0700000000000001 109.766 177.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -103.47 140.83 36.96 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.977 -0.556 . . . . 2.48 110.419 -175.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 77.3 m -76.89 106.69 8.72 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.182 -0.463 . . . . 1.73 110.511 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -75.85 -32.32 59.7 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.217 -0.66 . . . . 3.48 109.217 175.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.476 ' HB1' ' O ' ' A' ' 66' ' ' SER . . . -92.84 140.74 29.19 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.021 -0.99 . . . . 2.5800000000000001 109.249 173.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.4 m -149.12 11.53 0.82 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.593 0.235 . . . . 2.7599999999999998 111.577 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.401 ' O ' ' HA3' ' A' ' 67' ' ' GLY . 6.9 t30 -109.0 134.48 20.37 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 109.178 -0.675 . . . . 2.5899999999999999 109.178 -179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' A' ' 78' ' ' SER . 2.8 Cg_exo -34.9 -62.56 0.2 Allowed 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 124.225 3.283 . . . . 2.5699999999999998 114.615 -173.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.406 ' O ' ' HG3' ' A' ' 69' ' ' ARG . 58.5 t -123.27 -55.29 2.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 121.036 -0.266 . . . . 2.5299999999999998 111.559 -176.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -45.31 -42.81 10.15 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 123.855 0.722 . . . . 4.1900000000000004 112.141 -175.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.476 ' O ' ' HB1' ' A' ' 60' ' ' ALA . 21.6 t -138.68 62.76 1.54 Allowed 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.774 -0.825 . . . . 3.8999999999999999 108.774 176.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 62' ' ' ASN . . . -175.27 -118.05 0.51 Allowed Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.849 -0.691 . . . . 2.6000000000000001 112.59 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 86.0 m -84.94 74.76 10.46 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.552 0.691 . . . . 1.73 111.42 -172.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 64' ' ' VAL . 10.8 mtm180 -67.2 126.21 28.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.34 -0.846 . . . . 3.9399999999999999 109.931 175.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.38 -32.92 3.12 Favored Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 111.213 -0.755 . . . . 1.6100000000000001 111.213 -174.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.0 mm -75.67 122.93 30.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.821 0.343 . . . . 1.6499999999999999 110.11 177.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -142.9 86.84 1.95 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.014 0.435 . . . . 3.3199999999999998 110.662 -177.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.4 t -157.24 150.77 24.11 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.867 -0.606 . . . . 4.6299999999999999 109.813 -179.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -93.87 3.15 55.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.256 0.55 . . . . 3.0600000000000001 109.895 177.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -102.66 -8.33 21.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.542 -0.754 . . . . 3.5099999999999998 110.415 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.492 ' CE3' ' HB3' ' A' ' 112' ' ' LEU . 83.8 m95 -122.93 140.89 52.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.037 -0.529 . . . . 3.1699999999999999 111.551 -174.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -118.93 135.05 54.79 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.967 -1.123 . . . . 2.6899999999999999 107.967 167.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 63' ' ' PRO . 11.0 t -125.28 153.97 42.43 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.696 -0.402 . . . . 1.9299999999999999 111.117 -172.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -173.82 174.38 3.09 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 115.466 -0.788 . . . . 3.73 109.305 175.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.514 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 35.5 m -103.38 138.92 39.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.196 -0.456 . . . . 1.6699999999999999 110.732 -176.039 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 61.9 m -131.66 133.6 45.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.435 -0.348 . . . . 2.2400000000000002 110.666 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.455 ' HB ' ' HB3' ' A' ' 105' ' ' ASP . 23.3 p -83.71 126.09 32.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.01 0.433 . . . . 2.7799999999999998 110.7 177.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.8 p -90.15 128.9 36.46 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.225 -0.443 . . . . 2.6899999999999999 110.57 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.439 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 10.8 p-80 -99.84 131.07 46.04 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.152 0.501 . . . . 3.71 110.86 -178.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.57 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 12.4 t -117.16 162.66 17.5 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.962 -0.755 . . . . 1.48 108.962 178.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.4 ' HA ' ' O ' ' A' ' 102' ' ' ILE . 85.0 m-85 -103.36 116.19 31.96 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.954 0.406 . . . . 1.75 110.084 -177.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.5 m -110.27 146.58 15.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.879 -0.6 . . . . 1.0800000000000001 111.306 -176.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.463 ' CE ' ' HB2' ' B' ' 51' ' ' GLN . 15.4 pttm -75.76 106.68 7.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.28 -0.873 . . . . 3.8199999999999998 110.871 177.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.16 137.67 51.31 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.952 -0.567 . . . . 1.1299999999999999 110.722 178.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.414 ' HG ' ' HB1' ' A' ' 97' ' ' ALA . 20.0 tp -75.03 104.17 5.5 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.231 -0.655 . . . . 1.45 109.231 177.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.512 HG22 ' HA ' ' A' ' 38' ' ' VAL . 48.9 p -127.1 163.48 23.7 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.956 -0.565 . . . . 1.1399999999999999 110.202 -175.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.2 t -110.4 111.07 22.11 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.394 0.616 . . . . 1.3200000000000001 110.603 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -91.74 3.18 55.69 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.487 -0.779 . . . . 2.4700000000000002 110.95 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -161.74 -75.78 0.05 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.175 -0.466 . . . . 3.0899999999999999 109.907 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -140.26 -56.98 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.726 -0.472 . . . . 3.29 109.726 174.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -65.66 160.18 23.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.06 -0.518 . . . . 2.7400000000000002 110.016 176.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.414 ' HB1' ' HG ' ' A' ' 90' ' ' LEU . . . -107.06 138.05 43.98 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.238 -0.437 . . . . 1.4399999999999999 110.619 -178.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.73 150.79 40.57 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.224 -0.444 . . . . 1.3799999999999999 110.61 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -74.31 99.31 3.44 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.133 -0.485 . . . . 2.3500000000000001 110.101 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -99.73 164.29 12.11 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.631 -0.713 . . . . 3.48 109.68 -178.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -105.52 104.1 13.75 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.232 -0.655 . . . . 1.98 109.232 177.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 23.9 pt -112.74 145.82 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.058 -0.519 . . . . 0.85999999999999999 111.384 -171.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.57 ' HA ' ' O ' ' A' ' 85' ' ' THR . 7.0 ptm180 -79.68 119.32 22.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.616 -0.72 . . . . 3.71 111.804 -176.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.439 ' O ' ' HA ' ' A' ' 84' ' ' HIS . 47.9 pt -121.01 143.24 33.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.8 -0.637 . . . . 0.82999999999999996 109.504 170.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.455 ' HB3' ' HB ' ' A' ' 82' ' ' THR . 2.7 m-20 -76.24 98.14 4.37 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.253 -0.647 . . . . 1.6899999999999999 109.253 178.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.9 t -93.9 -20.86 19.63 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.368 0.507 . . . . 2.29 112.368 -167.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.447 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -147.5 161.39 41.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.922 0.392 . . . . 1.1399999999999999 111.516 -176.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.514 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 40.4 t -123.1 110.68 15.61 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.59 -0.732 . . . . 1.5600000000000001 109.039 177.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.0 m -103.77 151.38 6.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.134 -0.485 . . . . 1.0700000000000001 111.305 -173.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 36.7 t -94.21 121.27 35.54 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.465 -0.789 . . . . 1.45 108.873 174.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.7 m -114.07 156.25 15.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.89 0.376 . . . . 1.52 111.559 -176.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.492 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . 81.5 mt -122.68 137.63 54.85 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.865 -0.607 . . . . 1.6699999999999999 109.816 173.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 48.1 t -122.89 141.83 51.46 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.815 -0.439 . . . . 2.6200000000000001 109.815 178.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -73.66 -7.19 51.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.656 -0.702 . . . . 6.7300000000000004 110.126 -179.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt 73.72 -50.87 0.69 Allowed 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.663 0.785 . . . . 4.5899999999999999 111.407 178.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -72.37 -19.58 61.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.946 0.403 . . . . 4.5 110.842 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.5 ' O ' ' HD2' ' A' ' 118' ' ' ARG . 21.8 p -83.87 152.06 24.77 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.951 -0.568 . . . . 5.7400000000000002 110.692 179.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.5 ' HD2' ' O ' ' A' ' 117' ' ' THR . 12.8 mmm180 . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.632 -0.699 . . . . 8.6699999999999999 109.262 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.475 0.801 0 CA-C-O 120.686 0.279 . . . . 13.98 110.484 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 43.3 m -128.08 108.62 10.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.767 0.318 . . . . 12.76 110.287 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 3.0 p -82.25 69.25 8.94 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.129 0.49 . . . . 11.359999999999999 111.127 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -108.71 114.08 59.1 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 109.058 -0.719 . . . . 10.289999999999999 109.058 177.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -74.06 66.52 5.12 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.749 2.299 . . . . 7.6299999999999999 113.095 -176.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 24.1 t 55.22 87.17 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 115.785 -0.643 . . . . 6.6500000000000004 111.577 175.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -60.8 -23.16 64.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.985 -0.552 . . . . 7.2699999999999996 110.932 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -62.39 -19.61 63.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.325 -0.398 . . . . 7.7199999999999998 111.355 -179.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 57.9 mtm -73.91 -14.92 61.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.988 0.423 . . . . 5.3399999999999999 110.081 177.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -100.79 4.41 56.26 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 111.36 -0.696 . . . . 3.98 111.36 176.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -100.86 13.18 35.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.922 0.391 . . . . 4.6200000000000001 110.182 178.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -88.45 68.27 8.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.215 0.531 . . . . 3.6499999999999999 110.644 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 5.0 m -61.19 118.41 6.8 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.409 -0.814 . . . . 2.4199999999999999 110.07 177.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.2 m -57.73 -30.44 37.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 CA-C-O 120.996 0.427 . . . . 1.4099999999999999 110.862 177.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.458 ' SG ' ' HB3' ' B' ' 60' ' ' ALA . 44.2 t -109.25 129.26 55.51 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.889 -0.596 . . . . 1.75 109.921 177.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -67.38 117.28 9.15 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.145 -0.48 . . . . 2.8700000000000001 110.196 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 12.3 p -132.76 155.79 48.25 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.938 -0.573 . . . . 1.72 110.537 -177.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' B' ' 56' ' ' THR . 7.1 p -123.11 116.03 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-O 121.221 0.534 . . . . 1.51 110.774 179.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 48.8 m -89.66 119.64 30.25 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.667 -0.494 . . . . 1.6599999999999999 109.667 175.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' B' ' 54' ' ' PHE . 57.3 t -118.34 137.77 51.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.256 -0.429 . . . . 1.03 110.762 -173.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . 0.428 ' HA ' ' O ' ' B' ' 53' ' ' PHE . 97.9 m95 -95.42 96.71 9.29 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.84 -0.8 . . . . 1.6100000000000001 108.84 173.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 54.7 t -78.57 136.0 24.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-N 115.267 -0.879 . . . . 0.95999999999999996 110.214 -174.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -76.08 65.31 2.65 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.825 -0.625 . . . . 1.27 112.493 -178.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 73.55 0.57 3.69 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.566 0.746 . . . . 3.0099999999999998 112.0 172.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 50.6 tttt 51.91 -139.09 1.01 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 122.854 0.462 . . . . 1.3200000000000001 110.728 176.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 25.4 m -147.21 -51.31 0.2 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.915 0.388 . . . . 1.8200000000000001 110.837 175.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 7.4 p -133.18 146.11 51.22 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.396 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.22 165.09 28.48 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.258 -0.428 . . . . 0.79000000000000004 110.585 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 15.2 m -104.38 118.71 37.28 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.372 -0.377 . . . . 1.01 110.773 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -69.21 162.81 26.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.923 -0.58 . . . . 1.8400000000000001 110.163 177.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 17.0 tt -59.99 -25.53 33.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.982 0.42 . . . . 1.3300000000000001 111.377 -178.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -79.92 -6.43 57.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.388 -0.369 . . . . 2.2200000000000002 110.925 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.34 19.78 40.67 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.869 -0.681 . . . . 1.25 112.027 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -94.59 131.9 39.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.6 0.238 . . . . 2.1400000000000001 110.719 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -84.24 114.79 22.08 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.941 -0.762 . . . . 2.1899999999999999 108.941 174.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 35.6 m -117.37 155.02 19.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 116.007 -0.542 . . . . 1.01 110.955 -175.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . 0.421 ' HB ' HG23 ' B' ' 92' ' ' THR . 20.0 m -91.82 128.27 37.59 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.739 -0.664 . . . . 1.04 110.07 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.489 ' HA ' HG22 ' B' ' 91' ' ' THR . 36.4 t -90.59 141.49 14.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.32 -0.4 . . . . 1.1000000000000001 110.089 -179.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 62.6 mt -86.5 126.72 34.64 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.031 -0.531 . . . . 1.9099999999999999 109.794 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.46 -25.58 67.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.393 0.616 . . . . 2.1800000000000002 110.031 178.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -137.13 125.22 22.93 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.969 -1.014 . . . . 3.5899999999999999 108.657 172.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.425 HG22 ' O ' ' B' ' 49' ' ' PHE . 31.4 m -89.52 126.53 42.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 121.329 0.585 . . . . 2.3900000000000001 110.306 -176.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -83.55 98.6 9.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.905 0.86 . . . . 3.25 110.58 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.0 mm -106.17 152.58 7.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 107.666 -1.235 . . . . 2.77 107.666 175.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -55.26 108.82 0.46 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.94 0.4 . . . . 3.8399999999999999 110.958 -175.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 66.29 29.16 9.68 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 114.988 -1.006 . . . . 4.7599999999999998 111.779 178.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 29.0 t -162.07 115.39 1.8 Allowed 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.95 0.405 . . . . 3.3300000000000001 110.939 176.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 57.6 t -116.51 115.09 47.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 109.898 -0.408 . . . . 2.3799999999999999 109.898 177.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . 0.425 ' O ' HG22 ' B' ' 42' ' ' VAL . 47.7 p90 -144.64 165.26 28.54 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.576 -0.284 . . . . 4.1299999999999999 111.095 -175.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -85.06 146.08 27.35 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.919 -0.771 . . . . 4.8399999999999999 108.919 176.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.463 ' HB2' ' CE ' ' A' ' 88' ' ' LYS . 1.5 pp0? -109.65 -15.14 14.23 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.32 -0.552 . . . . 4.5599999999999996 112.463 -173.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 60.99 166.97 0.09 Allowed 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 113.335 0.865 . . . . 2.4500000000000002 113.335 171.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . 0.428 ' O ' ' HA ' ' B' ' 21' ' ' TRP . 40.4 m-85 -140.84 160.57 39.77 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.582 -0.735 . . . . 1.1599999999999999 110.03 172.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . 0.415 ' HA ' ' O ' ' B' ' 20' ' ' VAL . 13.8 p90 -126.41 112.92 16.2 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.032 0.444 . . . . 3.5600000000000001 109.906 175.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -121.68 124.16 43.62 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.298 -0.41 . . . . 1.49 110.508 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 71.1 m -101.07 113.32 26.22 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.659 -0.497 . . . . 1.0700000000000001 109.659 177.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -103.38 140.31 37.62 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.934 -0.576 . . . . 2.48 110.465 -176.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 75.0 m -76.43 107.03 8.41 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.079 -0.509 . . . . 1.73 110.464 178.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -76.03 -32.37 59.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.517 0.675 . . . . 3.4900000000000002 109.281 175.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.496 ' HB1' ' O ' ' B' ' 66' ' ' SER . . . -92.77 140.64 29.31 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.192 -0.913 . . . . 2.5800000000000001 109.273 173.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 50.4 m -149.2 12.32 0.83 Allowed 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.978 -0.289 . . . . 2.7599999999999998 111.51 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -109.42 134.42 20.52 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 109.26 -0.644 . . . . 2.5899999999999999 109.26 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . 0.423 ' HA ' ' O ' ' B' ' 78' ' ' SER . 2.7 Cg_exo -34.57 -62.75 0.19 Allowed 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 124.37 3.38 . . . . 2.5699999999999998 114.602 -173.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 58.0 t -123.05 -55.26 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.959 -0.296 . . . . 2.5299999999999998 111.66 -176.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -45.58 -42.36 11.02 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 123.822 0.701 . . . . 4.2000000000000002 112.135 -175.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . 0.496 ' O ' ' HB1' ' B' ' 60' ' ' ALA . 22.3 t -138.9 62.85 1.53 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.801 -0.815 . . . . 3.8999999999999999 108.801 176.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -175.38 -118.15 0.51 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.764 -0.731 . . . . 2.6000000000000001 112.534 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 86.4 m -85.03 75.0 10.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.528 0.68 . . . . 1.74 111.42 -172.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -67.14 126.56 29.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.251 -0.886 . . . . 3.9500000000000002 109.96 175.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 129.03 -32.8 3.2 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.689 -0.767 . . . . 1.6000000000000001 111.301 -175.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 48.9 mm -75.57 123.53 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.97 -0.382 . . . . 1.6499999999999999 109.97 177.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -143.55 86.35 1.88 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.105 0.478 . . . . 3.3199999999999998 110.681 -177.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 42.5 t -157.04 150.61 24.34 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.818 -0.628 . . . . 4.6299999999999999 109.847 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -93.92 3.37 55.48 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.139 0.495 . . . . 3.0600000000000001 109.769 177.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -102.82 -8.33 20.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.686 -0.688 . . . . 3.5099999999999998 110.428 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' TRP . . . . . 0.481 ' CE3' ' HB3' ' B' ' 112' ' ' LEU . 83.8 m95 -122.94 140.67 52.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.248 0.546 . . . . 3.1699999999999999 111.613 -174.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -118.83 134.98 54.78 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.091 -1.078 . . . . 2.7000000000000002 108.091 167.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' B' ' 63' ' ' PRO . 10.8 t -125.5 153.76 43.09 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.749 -0.38 . . . . 1.9299999999999999 111.039 -172.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -173.64 174.46 3.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.457 -0.792 . . . . 3.73 109.357 175.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.512 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 35.4 m -103.51 138.98 39.47 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.142 -0.481 . . . . 1.6699999999999999 110.724 -176.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 62.3 m -131.66 133.61 45.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.487 -0.324 . . . . 2.25 110.482 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.456 ' HB ' ' HB3' ' B' ' 105' ' ' ASP . 23.8 p -83.6 126.39 32.78 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 120.888 0.375 . . . . 2.7799999999999998 110.791 177.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 14.3 p -90.22 128.68 36.45 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.244 -0.435 . . . . 2.6899999999999999 110.718 179.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' HIS . . . . . 0.445 ' HA ' ' O ' ' B' ' 104' ' ' ILE . 11.0 p-80 -99.61 131.28 45.71 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.099 0.476 . . . . 3.71 110.746 -179.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.573 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 12.7 t -117.38 162.63 17.62 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.817 -0.808 . . . . 1.48 108.817 178.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.4 ' HB3' ' HB3' ' B' ' 101' ' ' PHE . 85.3 m-85 -103.46 116.37 32.28 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.052 0.453 . . . . 1.75 110.03 -177.48 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 26.0 m -110.44 146.61 15.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.838 -0.619 . . . . 1.0800000000000001 111.222 -176.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . 0.428 ' CE ' ' HB2' ' A' ' 51' ' ' GLN . 15.4 pttm -75.83 106.92 7.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.309 -0.859 . . . . 3.8199999999999998 110.774 177.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.22 137.6 51.21 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.816 -0.629 . . . . 1.1299999999999999 110.708 178.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 20.0 tp -74.99 104.24 5.5 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.201 -0.666 . . . . 1.45 109.201 177.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . 0.489 HG22 ' HA ' ' B' ' 38' ' ' VAL . 51.2 p -127.12 163.44 23.81 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.868 -0.605 . . . . 1.1499999999999999 110.294 -175.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.421 HG23 ' HB ' ' B' ' 37' ' ' THR . 4.0 t -110.62 110.73 21.54 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.496 0.665 . . . . 1.3200000000000001 110.55 178.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -91.31 3.38 55.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.405 -0.816 . . . . 2.46 110.885 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -161.84 -76.33 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.223 -0.444 . . . . 3.0899999999999999 109.867 -179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -139.96 -56.87 0.56 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.795 -0.446 . . . . 3.2999999999999998 109.795 175.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -65.7 159.98 23.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.122 -0.49 . . . . 2.7400000000000002 110.024 176.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -107.23 137.84 44.53 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.291 -0.413 . . . . 1.4399999999999999 110.705 -178.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.52 150.71 40.81 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.391 -0.368 . . . . 1.3899999999999999 110.569 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -74.14 99.43 3.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.164 -0.471 . . . . 2.3500000000000001 110.064 177.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -99.76 164.75 11.91 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.61 -0.723 . . . . 3.48 109.767 -179.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.4 ' HB3' ' HB3' ' B' ' 86' ' ' PHE . 97.1 m-85 -106.05 104.11 13.75 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.2 -0.667 . . . . 1.98 109.2 177.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 24.0 pt -112.9 145.65 18.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.074 -0.512 . . . . 0.85999999999999999 111.424 -171.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.573 ' HA ' ' O ' ' B' ' 85' ' ' THR . 6.9 ptm180 -79.4 119.1 21.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.6 -0.727 . . . . 3.7200000000000002 111.822 -176.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' ILE . . . . . 0.445 ' O ' ' HA ' ' B' ' 84' ' ' HIS . 47.9 pt -120.95 143.18 33.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.848 -0.615 . . . . 0.82999999999999996 109.583 170.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . 0.456 ' HB3' ' HB ' ' B' ' 82' ' ' THR . 2.5 m-20 -76.28 98.18 4.4 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.347 -0.612 . . . . 1.6899999999999999 109.347 178.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 8.9 t -93.94 -20.94 19.54 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.311 0.486 . . . . 2.29 112.311 -167.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . 0.44 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -147.53 161.36 41.26 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.698 -0.401 . . . . 1.1499999999999999 111.554 -176.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . 0.512 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 41.3 t -122.98 110.72 15.73 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.583 -0.735 . . . . 1.5600000000000001 109.037 177.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 20.7 m -103.83 151.35 6.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.089 0.471 . . . . 1.0800000000000001 111.409 -173.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 36.6 t -94.1 121.32 35.48 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.794 -0.817 . . . . 1.45 108.794 174.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 21.7 m -114.0 156.53 14.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.916 0.389 . . . . 1.52 111.62 -176.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.481 ' HB3' ' CE3' ' B' ' 76' ' ' TRP . 81.6 mt -122.94 137.82 54.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.893 -0.594 . . . . 1.6699999999999999 109.674 173.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 47.5 t -123.08 141.81 51.56 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.824 -0.436 . . . . 2.6200000000000001 109.824 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -73.85 -7.12 51.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.62 -0.718 . . . . 6.7199999999999998 110.248 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt 73.71 -50.35 0.69 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.677 0.791 . . . . 4.5899999999999999 111.338 178.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -72.75 -19.32 61.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.288 -0.415 . . . . 4.5 110.896 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . 0.512 ' O ' ' HD2' ' B' ' 118' ' ' ARG . 21.9 p -84.31 152.46 24.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.902 -0.59 . . . . 5.7400000000000002 110.606 179.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' ARG . . . . . 0.512 ' HD2' ' O ' ' B' ' 117' ' ' THR . 12.7 mmm180 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.447 -0.787 . . . . 8.6799999999999997 109.691 178.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.9 p . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 110.257 -0.275 . . . . 13.98 110.257 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.6 m -144.55 21.51 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.836 0.35 . . . . 12.75 111.005 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.0 p -88.3 83.87 6.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.156 0.503 . . . . 11.35 110.944 179.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -123.13 107.95 32.52 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.183 -0.462 . . . . 10.279999999999999 110.748 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -83.35 54.35 4.61 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.699 2.266 . . . . 7.6299999999999999 112.053 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.0 t 56.92 59.11 0.27 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.221 0 N-CA-C 108.98 -0.748 . . . . 6.6500000000000004 108.98 -176.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 62.49 -84.12 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.093 -0.958 . . . . 7.2699999999999996 109.657 -169.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -146.3 22.64 1.34 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.91 0.386 . . . . 7.7199999999999998 110.306 171.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 15.7 ptp 40.43 48.22 2.39 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 114.669 -1.15 . . . . 5.3399999999999999 112.677 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.46 -13.89 1.25 Allowed Glycine 0 N--CA 1.451 -0.339 0 N-CA-C 111.38 -0.688 . . . . 3.98 111.38 177.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.15 42.25 1.12 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.144 0.497 . . . . 4.6299999999999999 110.57 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.415 ' HB3' ' H ' ' B' ' 112' ' ' LEU . 36.5 m-85 -78.56 72.06 5.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.117 0.484 . . . . 3.6499999999999999 110.565 177.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.7 t -77.74 134.1 38.15 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.677 -0.692 . . . . 2.4199999999999999 109.66 177.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.441 ' O ' ' HB3' ' A' ' 68' ' ' CYS . 35.4 m -65.29 -21.75 29.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.008 -0.542 . . . . 1.4099999999999999 110.844 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.3 t -121.46 134.27 55.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.834 -0.621 . . . . 1.75 110.407 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.424 ' CG ' HH21 ' A' ' 69' ' ' ARG . 1.1 m-20 -64.58 115.59 5.35 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.935 -0.575 . . . . 2.8700000000000001 110.883 179.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.2 p -140.64 159.03 43.08 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.761 -0.654 . . . . 1.72 110.958 -176.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.5 p -125.24 121.03 59.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.005 -0.543 . . . . 1.51 110.631 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.445 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 49.3 m -92.07 121.69 33.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.378 -0.374 . . . . 1.6599999999999999 110.118 177.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.4 t -118.75 137.87 51.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.477 -0.329 . . . . 1.03 110.902 -176.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -100.69 95.59 6.77 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.937 -0.764 . . . . 1.6100000000000001 108.937 172.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.2 t -78.28 113.62 17.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.976 -0.556 . . . . 0.95999999999999996 110.579 -176.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.61 -6.46 64.02 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.872 -0.68 . . . . 1.27 112.296 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -144.4 67.45 1.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.358 0.599 . . . . 3.02 110.124 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.747 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 57.1 tttp -85.16 95.69 9.23 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.758 -0.83 . . . . 1.3200000000000001 108.758 175.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 37' ' ' THR . 13.1 t -69.47 -29.02 66.59 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.105 0.409 . . . . 1.8200000000000001 112.105 -170.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 36' ' ' VAL . 4.0 p -141.61 146.06 35.77 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.002 0.429 . . . . 1.01 111.345 -179.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -145.09 166.38 25.53 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.768 -0.651 . . . . 0.79000000000000004 110.23 176.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.5 m -94.69 121.13 35.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.131 -0.486 . . . . 1.02 110.584 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -71.51 156.79 39.03 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.255 -0.884 . . . . 1.8500000000000001 110.077 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.0 tt -64.51 -18.0 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.068 -0.515 . . . . 1.3300000000000001 110.753 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -87.66 -4.5 58.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 2.2200000000000002 111.13 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.67 24.22 28.69 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.779 -0.724 . . . . 1.25 111.964 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -99.49 165.48 11.62 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.94 0.4 . . . . 2.1400000000000001 110.423 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -108.32 114.5 28.42 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.363 -0.977 . . . . 2.1899999999999999 108.363 172.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 27' ' ' THR . 17.3 m -115.73 147.38 19.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.147 -0.479 . . . . 1.02 111.75 -173.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 26' ' ' THR . 24.6 m -87.82 110.82 20.78 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.392 -0.822 . . . . 1.04 110.004 179.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.747 ' HB ' ' O ' ' A' ' 25' ' ' LYS . 29.8 t -87.21 132.43 32.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.112 -0.494 . . . . 1.1000000000000001 110.121 -176.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.47 ' C ' ' H ' ' A' ' 41' ' ' GLU . 82.9 mt -86.9 -19.93 28.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.274 -0.421 . . . . 1.9099999999999999 111.286 -176.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.42 ' H ' HG12 ' A' ' 38' ' ' VAL . . . 72.53 -30.75 0.21 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.713 0.805 . . . . 2.1800000000000002 111.459 -178.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.512 ' HG2' ' HG2' ' A' ' 50' ' ' ARG . 43.7 mt-10 -105.52 155.03 19.57 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.876 -0.787 . . . . 3.5899999999999999 108.876 176.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 26.0 m -116.86 117.0 53.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.462 0.649 . . . . 2.3999999999999999 110.856 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.461 ' H ' ' CD2' ' A' ' 90' ' ' LEU . 48.0 m-80 -96.35 99.77 11.43 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.481 -0.781 . . . . 3.25 109.252 177.225 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.0 mt -93.22 -84.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 C-N-CA 120.989 -0.284 . . . . 2.77 110.329 -178.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -125.52 -67.92 0.86 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.565 -0.532 . . . . 3.8399999999999999 109.565 177.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -133.19 46.73 2.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.855 -0.611 . . . . 4.7599999999999998 109.746 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.2 t -162.27 125.81 3.04 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.897 -0.592 . . . . 3.3300000000000001 109.837 -177.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.533 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 36.9 t -127.15 96.61 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.126 -0.488 . . . . 2.3700000000000001 110.212 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.507 ' O ' HG22 ' A' ' 42' ' ' VAL . 11.6 p90 -120.51 142.49 49.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.391 0.615 . . . . 4.1299999999999999 111.48 -178.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.512 ' HG2' ' HG2' ' A' ' 41' ' ' GLU . 70.2 mtm180 -83.69 -164.81 0.97 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.244 -0.889 . . . . 4.8399999999999999 111.38 -177.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.493 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 41.9 tp60 -150.39 -46.75 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.776 -0.647 . . . . 4.5599999999999996 110.426 -178.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.493 ' HB2' ' O ' ' A' ' 51' ' ' GLN . 49.3 m-85 72.33 123.42 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.988 0.805 . . . . 2.46 110.005 -172.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -95.86 117.34 30.39 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.743 -0.662 . . . . 1.1599999999999999 110.865 -174.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -83.73 107.68 16.31 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.315 -0.857 . . . . 3.5600000000000001 110.53 -177.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.581 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 34.5 mt-10 -120.86 116.01 24.35 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.744 -0.662 . . . . 1.49 110.347 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' A' ' 19' ' ' SER . 57.9 m -95.63 114.42 26.17 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.812 -0.44 . . . . 1.0700000000000001 109.812 175.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.3 ttmm -107.64 140.63 40.36 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.998 -0.546 . . . . 2.48 110.604 -175.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 39.0 m -73.42 107.76 5.89 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.419 -0.586 . . . . 1.73 109.419 176.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -83.9 -0.57 51.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.222 0.534 . . . . 3.48 109.92 -179.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -156.16 134.71 11.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.238 -0.892 . . . . 2.5800000000000001 109.207 175.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.6 p -83.7 -30.78 26.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.236 0.541 . . . . 2.7599999999999998 109.875 177.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -141.15 86.94 11.02 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.116 -0.947 . . . . 2.5899999999999999 109.081 175.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -54.44 -33.98 79.63 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.728 2.285 . . . . 2.5699999999999998 112.575 -178.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.9 m -118.33 155.4 20.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.574 -0.528 . . . . 2.5299999999999998 109.574 176.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -79.33 64.16 4.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.452 0.644 . . . . 4.1900000000000004 110.653 -175.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.8 p -177.65 -22.57 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.883 -1.053 . . . . 3.8999999999999999 109.748 -178.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.411 ' CA ' ' HB2' ' A' ' 78' ' ' SER . . . 153.58 -115.56 0.68 Allowed Glycine 0 N--CA 1.445 -0.76 0 CA-C-N 115.638 -0.71 . . . . 2.6000000000000001 111.37 179.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.441 ' HB3' ' O ' ' A' ' 14' ' ' VAL . 72.0 m -111.28 172.74 6.71 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.126 -0.324 . . . . 1.73 110.126 177.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.424 HH21 ' CG ' ' A' ' 16' ' ' ASP . 90.8 mtt180 -65.3 122.08 16.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.576 -0.284 . . . . 3.9399999999999999 110.828 -175.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 85.61 -0.3 88.15 Favored Glycine 0 N--CA 1.454 -0.131 0 C-N-CA 120.874 -0.679 . . . . 1.6100000000000001 113.644 172.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.543 HG22 ' H ' ' A' ' 73' ' ' SER . 50.4 mm -78.76 137.96 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.062 0.458 . . . . 1.6499999999999999 110.378 179.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -54.68 -37.44 65.78 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.259 -0.882 . . . . 3.3199999999999998 112.22 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.543 ' H ' HG22 ' A' ' 71' ' ' ILE . 31.3 t 77.04 -40.54 0.36 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.506 0.723 . . . . 4.6299999999999999 112.154 175.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -73.84 -40.47 63.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.253 0.549 . . . . 3.0600000000000001 110.518 -177.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -93.52 -15.35 25.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.737 -0.665 . . . . 3.5099999999999998 111.031 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.462 ' O ' ' HA ' ' A' ' 73' ' ' SER . 90.4 m95 -142.25 115.4 8.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.441 -0.345 . . . . 3.1699999999999999 111.502 -175.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.519 ' HB3' ' O ' ' A' ' 113' ' ' SER . 28.3 t-20 -86.19 137.15 32.86 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 107.904 -1.147 . . . . 2.6899999999999999 107.904 170.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.755 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 3.1 m -111.07 143.92 41.02 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.943 0.401 . . . . 1.9299999999999999 111.789 -170.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.439 ' O ' HG22 ' A' ' 111' ' ' VAL . 76.9 t80 -148.13 135.13 20.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.692 -0.686 . . . . 3.73 109.539 174.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.612 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 71.7 m -88.2 130.06 35.17 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.009 0.433 . . . . 1.6699999999999999 111.102 -178.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.464 ' O ' HG22 ' A' ' 109' ' ' VAL . 60.1 m -137.73 133.92 34.71 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.914 -0.585 . . . . 2.2400000000000002 109.884 178.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.3 p -81.4 129.76 34.76 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.857 0.361 . . . . 2.7799999999999998 111.136 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.5 t -86.34 140.44 30.05 Favored 'General case' 0 N--CA 1.447 -0.591 0 N-CA-C 108.793 -0.818 . . . . 2.6899999999999999 108.793 174.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -123.5 146.55 47.98 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.017 0.436 . . . . 3.71 111.485 -170.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.594 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 11.5 t -128.98 173.62 10.27 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.63 -0.714 . . . . 1.48 109.352 178.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -117.49 116.81 27.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.019 0.437 . . . . 1.75 110.93 -179.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.3 m -114.39 139.75 38.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.813 -0.631 . . . . 1.0800000000000001 110.029 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 62.4 pttt -87.42 116.08 25.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.581 0.705 . . . . 3.8199999999999998 110.677 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -126.98 153.36 45.98 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.347 -0.842 . . . . 1.1299999999999999 110.002 -178.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.461 ' CD2' ' H ' ' A' ' 43' ' ' ASN . 21.2 tp -73.66 112.84 10.14 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.303 0.573 . . . . 1.45 109.93 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 47.6 p -114.82 159.71 20.31 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.342 -0.844 . . . . 1.1399999999999999 109.695 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.498 ' HA ' ' O ' ' A' ' 96' ' ' GLN . 9.9 t -111.62 123.61 50.6 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 121.622 0.725 . . . . 1.3200000000000001 111.295 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -106.17 98.32 8.02 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.018 -0.992 . . . . 2.4700000000000002 108.7 176.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 68.05 -80.63 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.363 -0.835 . . . . 3.0899999999999999 110.606 -175.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -128.17 -13.26 5.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.801 0.334 . . . . 3.29 110.819 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.498 ' O ' ' HA ' ' A' ' 92' ' ' THR . 2.4 mp0 -85.36 156.31 20.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.41 -0.359 . . . . 2.7400000000000002 110.532 -175.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -122.61 116.88 24.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.227 -0.442 . . . . 1.4399999999999999 109.937 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.78 144.95 47.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.828 0.347 . . . . 1.3799999999999999 111.313 -175.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 51.6 m95 -76.98 102.21 6.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.869 -0.605 . . . . 2.3500000000000001 110.031 178.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 22.9 mmm180 -109.39 145.98 35.2 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.949 0.404 . . . . 3.48 111.14 -177.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -83.41 111.47 19.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.491 -0.777 . . . . 1.98 110.072 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 36.4 pt -114.23 148.86 16.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.751 -0.659 . . . . 0.85999999999999999 110.441 -178.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.594 ' HA ' ' O ' ' A' ' 85' ' ' THR . 32.7 ptt180 -86.45 133.67 33.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.085 -0.507 . . . . 3.71 110.944 -177.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 40.4 pt -132.21 151.28 34.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.835 -0.621 . . . . 0.82999999999999996 110.047 174.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.581 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 37.8 m-20 -86.82 119.83 27.45 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.821 -0.437 . . . . 1.6899999999999999 109.821 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 18.5 p -90.69 -39.33 12.51 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.721 0.296 . . . . 2.29 111.603 -174.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -153.28 157.71 40.55 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.929 0.395 . . . . 1.1399999999999999 111.095 -177.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.612 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 41.0 t -104.65 110.68 23.1 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.24 -0.652 . . . . 1.5600000000000001 109.24 176.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 81' ' ' THR . 16.7 m -98.05 152.98 4.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.147 -0.478 . . . . 1.0700000000000001 110.154 -176.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.755 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 53.0 t -107.71 104.7 14.28 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.423 -0.584 . . . . 1.45 109.423 177.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 79' ' ' TYR . 28.6 m -78.18 135.45 26.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.829 -0.434 . . . . 1.52 109.829 -179.283 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.451 ' HB3' ' HB3' ' A' ' 76' ' ' TRP . 72.7 mt -112.78 136.8 51.98 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.473 -0.331 . . . . 1.6699999999999999 111.051 -177.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.519 ' O ' ' HB3' ' A' ' 77' ' ' ASN . 33.7 p 179.72 113.9 0.04 OUTLIER 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 115.728 -0.669 . . . . 2.6200000000000001 110.161 173.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.435 ' O ' ' HD2' ' A' ' 114' ' ' ARG . 1.6 tmm_? -99.61 -32.39 11.11 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.146 -1.057 . . . . 6.7300000000000004 108.146 167.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -120.38 150.31 40.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.481 -1.236 . . . . 4.5899999999999999 109.199 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -73.51 -14.44 61.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.985 0.421 . . . . 4.5 111.066 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 10.8 p -98.75 141.26 31.78 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.887 -0.597 . . . . 5.7400000000000002 110.385 176.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.043 -0.98 . . . . 8.6699999999999999 110.739 -177.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 21.6 p . . . . . 0 N--CA 1.474 0.754 0 N-CA-C 110.317 -0.253 . . . . 13.98 110.317 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 58.2 m -144.68 21.62 1.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.829 0.347 . . . . 12.76 111.013 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 1.8 p -88.52 83.63 6.8 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.057 0.456 . . . . 11.359999999999999 110.953 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -122.84 107.99 33.14 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-O 121.111 0.482 . . . . 10.289999999999999 110.872 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -83.44 54.21 4.52 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 122.718 2.279 . . . . 7.6299999999999999 112.0 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 17.2 t 57.16 59.2 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 N-CA-C 108.83 -0.804 . . . . 6.6500000000000004 108.83 -176.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 62.4 -84.12 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.083 -0.962 . . . . 7.2699999999999996 109.753 -169.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -146.39 22.65 1.32 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.006 0.431 . . . . 7.7199999999999998 110.241 170.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 15.7 ptp 40.67 47.97 2.51 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 114.599 -1.182 . . . . 5.3399999999999999 112.609 178.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -134.4 -13.6 1.28 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.85 -0.69 . . . . 3.98 111.384 177.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.43 42.55 1.11 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.207 0.527 . . . . 4.6200000000000001 110.567 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . 0.447 ' HB3' ' H ' ' A' ' 112' ' ' LEU . 36.8 m-85 -78.77 72.03 5.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.043 -0.526 . . . . 3.6499999999999999 110.42 177.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 45.6 t -77.78 134.09 38.11 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.806 -0.634 . . . . 2.4199999999999999 109.741 177.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.433 ' O ' ' HB3' ' B' ' 68' ' ' CYS . 35.4 m -65.14 -21.52 29.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.08 -0.509 . . . . 1.4099999999999999 110.901 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 38.8 t -121.81 134.17 54.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.823 -0.626 . . . . 1.75 110.304 176.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . 0.425 ' CG ' HH21 ' B' ' 69' ' ' ARG . 1.0 OUTLIER -64.82 115.86 5.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.929 -0.578 . . . . 2.8700000000000001 110.774 179.297 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 3.2 p -140.7 159.28 42.54 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.735 -0.666 . . . . 1.72 110.854 -176.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 4.7 p -125.29 121.29 60.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.14 -0.482 . . . . 1.51 110.736 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.442 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 48.1 m -92.56 121.59 34.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.389 -0.369 . . . . 1.6599999999999999 110.154 177.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 68.7 t -118.77 137.91 51.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.313 -0.403 . . . . 1.03 111.0 -176.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -100.84 95.97 6.98 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.907 -0.775 . . . . 1.6100000000000001 108.907 172.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 23.6 t -78.61 113.64 18.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.94 -0.573 . . . . 0.95999999999999996 110.53 -175.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -92.85 -5.94 64.01 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.833 -0.699 . . . . 1.27 112.269 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -144.68 67.12 1.25 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.386 0.612 . . . . 3.0099999999999998 110.054 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.742 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 57.1 tttp -84.63 95.73 8.98 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.725 -0.842 . . . . 1.3200000000000001 108.725 175.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 12.9 t -69.85 -29.02 66.17 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.04 0.385 . . . . 1.8200000000000001 112.04 -170.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' B' ' 36' ' ' VAL . 4.3 p -141.52 145.95 35.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.051 0.453 . . . . 1.0 111.217 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.98 166.61 24.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.672 -0.695 . . . . 0.79000000000000004 110.241 176.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 12.1 m -94.97 121.05 36.19 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.161 -0.472 . . . . 1.01 110.554 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -71.83 156.44 39.3 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.213 -0.903 . . . . 1.8400000000000001 110.003 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.0 tt -64.08 -18.03 21.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.35 0.595 . . . . 1.3300000000000001 110.845 179.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -87.54 -4.91 58.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.08 -0.509 . . . . 2.2200000000000002 111.045 177.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.05 24.5 26.99 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.923 -0.656 . . . . 1.25 111.917 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -99.79 165.2 11.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.932 0.396 . . . . 2.1400000000000001 110.452 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -107.54 114.9 29.2 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.517 -0.92 . . . . 2.1899999999999999 108.517 172.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' B' ' 27' ' ' THR . 17.6 m -115.99 147.38 19.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.13 0.491 . . . . 1.01 111.754 -173.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 25.2 m -88.09 110.45 20.66 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.249 -0.887 . . . . 1.04 109.829 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.742 ' HB ' ' O ' ' B' ' 25' ' ' LYS . 31.0 t -87.11 132.45 32.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.179 -0.464 . . . . 1.1000000000000001 110.025 -176.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . 0.473 ' C ' ' H ' ' B' ' 41' ' ' GLU . 83.2 mt -87.09 -19.47 28.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.256 -0.429 . . . . 1.9099999999999999 111.217 -175.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.423 ' H ' HG12 ' B' ' 38' ' ' VAL . . . 71.99 -30.61 0.21 Allowed 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.63 0.772 . . . . 2.1800000000000002 111.488 -178.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.504 ' HG2' ' HG2' ' B' ' 50' ' ' ARG . 43.8 mt-10 -105.37 155.22 19.32 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.871 -0.788 . . . . 3.5899999999999999 108.871 176.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 26.0 m -117.13 117.31 54.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-O 121.426 0.632 . . . . 2.3900000000000001 110.69 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.469 ' H ' ' CD2' ' B' ' 90' ' ' LEU . 48.1 m-80 -96.42 99.9 11.53 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.326 -0.852 . . . . 3.25 109.29 176.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 68.5 mt -93.25 -85.0 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 116.561 -0.29 . . . . 2.77 110.284 -179.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -124.94 -67.93 0.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.538 -0.542 . . . . 3.8399999999999999 109.538 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -132.89 46.4 2.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.917 -0.583 . . . . 4.7599999999999998 109.829 178.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 17.7 t -161.94 125.6 3.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.968 -0.56 . . . . 3.3300000000000001 109.849 -177.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.529 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 36.0 t -126.81 96.83 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 2.3799999999999999 110.101 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . 0.508 ' O ' HG22 ' B' ' 42' ' ' VAL . 12.0 p90 -120.61 142.43 49.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.349 0.595 . . . . 4.1299999999999999 111.512 -178.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.504 ' HG2' ' HG2' ' B' ' 41' ' ' GLU . 69.7 mtm180 -83.63 -164.49 0.92 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.278 -0.874 . . . . 4.8399999999999999 111.379 -177.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.485 ' O ' ' HB2' ' B' ' 52' ' ' TYR . 42.0 tp60 -150.89 -46.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.717 -0.674 . . . . 4.5599999999999996 110.521 -178.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' TYR . . . . . 0.485 ' HB2' ' O ' ' B' ' 51' ' ' GLN . 49.0 m-85 71.92 123.43 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.847 0.717 . . . . 2.4500000000000002 109.982 -172.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -96.02 117.41 30.61 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.697 -0.683 . . . . 1.1599999999999999 110.761 -174.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -83.74 107.58 16.26 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.371 -0.831 . . . . 3.5600000000000001 110.559 -177.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . 0.584 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 34.9 mt-10 -120.66 116.24 24.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.761 -0.654 . . . . 1.49 110.316 179.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' B' ' 19' ' ' SER . 59.4 m -95.77 114.2 25.91 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.184 -0.462 . . . . 1.0700000000000001 109.806 175.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -107.3 140.69 39.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.964 -0.562 . . . . 2.48 110.6 -175.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' CYS . . . . . 0.404 ' SG ' HG23 ' B' ' 82' ' ' THR . 38.4 m -73.59 107.52 5.9 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.566 -0.531 . . . . 1.73 109.566 176.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -83.75 -0.26 50.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.337 0.589 . . . . 3.4900000000000002 109.954 -179.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -156.39 134.75 11.45 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.272 -0.876 . . . . 2.5800000000000001 109.221 175.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 16.0 p -83.85 -30.55 26.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.145 0.498 . . . . 2.7599999999999998 109.814 177.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . 0.407 HD22 ' HA ' ' B' ' 62' ' ' ASN . 9.3 m120 -141.45 87.21 10.53 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.06 -0.973 . . . . 2.5899999999999999 108.988 175.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -54.68 -34.1 82.42 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.806 2.338 . . . . 2.5699999999999998 112.457 -178.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 35.9 m -118.23 155.28 20.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.114 -0.493 . . . . 2.5299999999999998 109.696 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -79.17 64.27 4.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.524 0.678 . . . . 4.2000000000000002 110.56 -175.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 24.4 p -177.79 -22.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.912 -1.04 . . . . 3.8999999999999999 109.704 -178.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.415 ' CA ' ' HB2' ' B' ' 78' ' ' SER . . . 153.46 -115.49 0.68 Allowed Glycine 0 N--CA 1.443 -0.881 0 CA-C-N 115.651 -0.704 . . . . 2.6000000000000001 111.461 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.433 ' HB3' ' O ' ' B' ' 14' ' ' VAL . 71.5 m -111.42 172.84 6.65 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 110.035 -0.358 . . . . 1.74 110.035 177.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . 0.425 HH21 ' CG ' ' B' ' 16' ' ' ASP . 91.0 mtt180 -65.41 122.05 16.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.611 -0.268 . . . . 3.9500000000000002 110.796 -175.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 85.89 -0.54 87.83 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 1.6000000000000001 113.6 171.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . 0.524 HG22 ' H ' ' B' ' 73' ' ' SER . 50.4 mm -78.6 138.01 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.161 0.505 . . . . 1.6499999999999999 110.335 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -54.64 -37.47 65.71 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.233 -0.894 . . . . 3.3199999999999998 112.203 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.524 ' H ' HG22 ' B' ' 71' ' ' ILE . 31.9 t 76.97 -40.24 0.36 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.652 0.781 . . . . 4.6299999999999999 112.239 175.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -73.77 -40.72 63.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.204 0.526 . . . . 3.0600000000000001 110.442 -177.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -93.69 -15.11 25.61 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.751 -0.658 . . . . 3.5099999999999998 111.059 178.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' TRP . . . . . 0.458 ' HB3' ' HB3' ' B' ' 112' ' ' LEU . 90.6 m95 -142.47 115.54 8.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.515 -0.311 . . . . 3.1699999999999999 111.483 -175.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' ASN . . . . . 0.524 ' HB3' ' O ' ' B' ' 113' ' ' SER . 28.4 t-20 -86.21 136.97 32.98 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.082 -1.081 . . . . 2.7000000000000002 108.082 170.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.743 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 2.9 m -110.64 144.06 40.13 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.963 0.411 . . . . 1.9299999999999999 111.99 -170.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . 0.438 ' O ' HG22 ' B' ' 111' ' ' VAL . 78.1 t80 -148.16 134.96 20.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.781 -0.645 . . . . 3.73 109.588 174.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.61 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 72.4 m -88.19 129.82 35.23 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.046 0.451 . . . . 1.6699999999999999 111.109 -178.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.459 ' O ' HG22 ' B' ' 109' ' ' VAL . 63.0 m -137.57 133.81 34.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.871 -0.604 . . . . 2.25 109.792 178.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.404 HG23 ' SG ' ' B' ' 58' ' ' CYS . 24.4 p -81.35 129.57 34.68 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.911 0.386 . . . . 2.7799999999999998 111.158 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 6.9 t -86.34 140.43 30.06 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.872 -0.788 . . . . 2.6899999999999999 108.872 174.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -123.81 145.73 48.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.024 0.44 . . . . 3.71 111.534 -170.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.605 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 11.5 t -128.19 174.0 9.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.515 -0.766 . . . . 1.48 109.455 178.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -117.82 116.89 27.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.012 0.435 . . . . 1.75 110.848 -179.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 21.0 m -114.52 139.76 38.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.642 -0.708 . . . . 1.0800000000000001 109.968 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 62.4 pttt -87.57 116.03 25.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.505 0.669 . . . . 3.8199999999999998 110.683 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -126.9 153.45 45.73 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.296 -0.865 . . . . 1.1299999999999999 109.989 -178.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.469 ' CD2' ' H ' ' B' ' 43' ' ' ASN . 21.2 tp -73.78 112.75 10.19 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.29 0.567 . . . . 1.45 110.019 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 49.1 p -114.59 159.94 19.86 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.298 -0.864 . . . . 1.1499999999999999 109.748 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.506 ' HA ' ' O ' ' B' ' 96' ' ' GLN . 11.3 t -111.79 124.01 51.44 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.547 0.689 . . . . 1.3200000000000001 111.108 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -106.59 98.03 7.75 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.275 -0.875 . . . . 2.46 108.714 176.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 68.6 -80.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.432 -0.804 . . . . 3.0899999999999999 110.424 -176.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -127.99 -13.17 5.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.754 0.312 . . . . 3.2999999999999998 110.833 177.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' GLN . . . . . 0.506 ' O ' ' HA ' ' B' ' 92' ' ' THR . 2.4 mp0 -85.51 156.06 20.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.398 -0.365 . . . . 2.7400000000000002 110.587 -175.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -122.23 117.33 25.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.298 -0.41 . . . . 1.4399999999999999 109.938 176.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -134.98 144.95 47.68 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.74 0.305 . . . . 1.3899999999999999 111.325 -175.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -77.12 102.1 6.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.925 -0.58 . . . . 2.3500000000000001 110.044 178.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' B' ' 88' ' ' LYS . 23.1 mmm180 -109.15 146.07 34.71 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.908 0.385 . . . . 3.48 111.138 -177.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -83.53 111.46 19.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.522 -0.763 . . . . 1.98 110.073 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 36.2 pt -114.26 149.17 16.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.937 -0.574 . . . . 0.85999999999999999 110.347 -178.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.605 ' HA ' ' O ' ' B' ' 85' ' ' THR . 33.1 ptt180 -86.66 133.59 33.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.124 -0.489 . . . . 3.7200000000000002 111.008 -177.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 40.7 pt -131.94 151.52 35.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.973 -0.558 . . . . 0.82999999999999996 110.091 174.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . 0.584 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 35.6 m-20 -86.86 119.66 27.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.218 -0.447 . . . . 1.6899999999999999 109.834 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 18.3 p -90.7 -39.15 12.6 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.629 -0.26 . . . . 2.29 111.67 -174.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -153.31 157.81 40.65 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.869 0.366 . . . . 1.1499999999999999 111.094 -177.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . 0.61 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 41.2 t -104.73 110.56 22.94 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.227 -0.657 . . . . 1.5600000000000001 109.227 176.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.459 HG22 ' O ' ' B' ' 81' ' ' THR . 16.5 m -97.94 153.05 4.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.302 -0.408 . . . . 1.0800000000000001 110.268 -176.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.743 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 52.7 t -107.77 104.55 14.08 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.517 -0.549 . . . . 1.45 109.517 177.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.438 HG22 ' O ' ' B' ' 79' ' ' TYR . 28.6 m -78.22 134.93 27.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.923 -0.399 . . . . 1.52 109.923 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.458 ' HB3' ' HB3' ' B' ' 76' ' ' TRP . 72.9 mt -112.32 136.96 51.13 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.396 -0.365 . . . . 1.6699999999999999 111.094 -177.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.524 ' O ' ' HB3' ' B' ' 77' ' ' ASN . 30.0 p 179.44 114.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.638 -0.71 . . . . 2.6200000000000001 110.2 173.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' ARG . . . . . 0.422 ' HD2' ' O ' ' B' ' 114' ' ' ARG . 1.6 tmm_? -99.76 -32.42 11.04 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.188 -1.042 . . . . 6.7199999999999998 108.188 167.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -120.29 150.01 41.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.341 -1.299 . . . . 4.5899999999999999 109.296 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -73.28 -14.52 61.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 4.5 111.104 -178.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 12.3 p -98.75 141.25 31.79 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.033 -0.53 . . . . 5.7400000000000002 110.216 176.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.049 -0.977 . . . . 8.6799999999999997 110.361 -177.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.0 p . . . . . 0 N--CA 1.475 0.808 0 CA-C-O 120.752 0.311 . . . . 13.98 110.461 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 p -114.19 44.13 1.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.088 0.47 . . . . 12.75 111.057 -178.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.6 p -72.27 -28.47 63.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 11.35 110.534 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 19.5 p-80 -139.27 75.86 32.99 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.911 -0.586 . . . . 10.279999999999999 110.558 178.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -74.08 88.89 1.07 Allowed 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.429 2.086 . . . . 7.6299999999999999 111.474 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.4 t 57.51 45.27 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 122.104 0.954 . . . . 6.6500000000000004 109.389 -175.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -81.36 2.54 27.93 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.232 -0.895 . . . . 7.2699999999999996 109.986 -176.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -63.64 -23.74 67.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.438 -0.801 . . . . 7.7199999999999998 109.711 173.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 67.7 mtm -68.03 -19.93 64.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.944 -0.571 . . . . 5.3399999999999999 110.125 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.448 ' HA2' HG11 ' B' ' 111' ' ' VAL . . . -77.12 -1.12 72.88 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 121.075 -0.583 . . . . 3.98 112.125 178.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -95.05 5.57 51.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.068 0.461 . . . . 4.6299999999999999 110.076 177.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -94.44 139.77 30.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.026 -0.534 . . . . 3.6499999999999999 110.559 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.2 t -143.09 158.1 43.92 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.851 -0.613 . . . . 2.4199999999999999 109.353 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.1 m -72.44 -8.38 11.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.814 -0.63 . . . . 1.4099999999999999 110.832 179.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.8 t -138.73 138.55 37.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.745 -0.661 . . . . 1.75 109.785 176.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -59.14 115.8 3.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.926 -0.579 . . . . 2.8700000000000001 111.032 -178.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.7 m -112.8 142.18 45.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.682 -0.69 . . . . 1.72 111.269 -175.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.519 ' O ' ' HA ' ' A' ' 56' ' ' THR . 4.1 p -118.27 115.34 47.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.303 -0.408 . . . . 1.51 110.795 176.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.1 m -91.98 116.07 28.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.271 -0.422 . . . . 1.6599999999999999 110.638 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.6 t -119.95 138.42 50.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.19 -0.459 . . . . 1.03 110.79 -177.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -96.71 96.13 8.39 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.783 -0.821 . . . . 1.6100000000000001 108.783 170.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.6 t -86.13 112.59 22.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.561 -0.745 . . . . 0.95999999999999996 111.122 -172.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.6 12.32 30.29 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.055 -0.818 . . . . 1.27 111.055 174.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -124.82 30.7 5.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.078 0.466 . . . . 3.02 110.037 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.6 tttp -88.59 102.84 15.34 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.479 -0.563 . . . . 1.3200000000000001 109.479 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.482 ' O ' ' HA ' ' A' ' 37' ' ' THR . 9.0 t -103.64 -5.94 22.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.574 -0.285 . . . . 1.8200000000000001 111.46 -176.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.1 p -141.46 133.55 27.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.814 0.34 . . . . 1.01 111.152 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.59 170.03 20.66 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.268 -0.424 . . . . 0.79000000000000004 110.695 176.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.443 ' HA ' ' O ' ' A' ' 34' ' ' LYS . 9.1 m -97.84 122.5 41.02 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.861 -0.608 . . . . 1.02 110.603 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.84 160.38 23.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.241 -0.891 . . . . 1.8500000000000001 109.305 175.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 13.2 tt -58.97 -25.99 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.991 0.424 . . . . 1.3300000000000001 111.185 -179.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -80.31 -9.63 59.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.339 -0.391 . . . . 2.2200000000000002 111.391 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.17 13.28 39.74 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.725 -0.75 . . . . 1.25 112.554 178.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 29' ' ' THR . 75.6 mmtt -88.86 155.1 19.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.662 0.268 . . . . 2.1400000000000001 110.577 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -101.49 115.45 30.55 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.07 -0.715 . . . . 2.1899999999999999 109.07 175.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 29.6 m -126.2 158.31 35.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.171 0.51 . . . . 1.02 111.777 -173.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.482 ' HA ' ' O ' ' A' ' 26' ' ' THR . 44.7 m -83.63 112.08 19.7 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.062 -0.972 . . . . 1.04 110.63 -179.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.406 ' HA ' HG22 ' A' ' 91' ' ' THR . 53.9 t -84.15 135.05 25.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.849 -0.614 . . . . 1.1000000000000001 110.032 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 68.7 mt -103.51 118.67 37.27 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 115.985 -0.552 . . . . 1.9099999999999999 109.726 179.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.96 -14.16 61.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.606 0.717 . . . . 2.1800000000000002 109.73 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -105.53 114.32 28.42 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 114.63 -1.168 . . . . 3.5899999999999999 108.233 174.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 49' ' ' PHE . 27.8 m -95.88 108.37 21.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.885 0.85 . . . . 2.3999999999999999 111.419 -176.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -88.97 99.38 12.37 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.681 -1.145 . . . . 3.25 109.092 176.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.9 mt -85.69 -64.75 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 120.778 -0.369 . . . . 2.77 110.307 -178.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.554 HD22 ' N ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -163.72 87.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.64 0.734 . . . . 3.8399999999999999 109.714 177.244 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 19.4 m120 59.78 40.34 19.67 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.174 -0.921 . . . . 4.7599999999999998 110.306 -176.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.4 t -164.86 119.37 1.33 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.639 -0.71 . . . . 3.3300000000000001 109.375 -178.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 40.5 t -111.84 133.2 58.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.249 -0.432 . . . . 2.3700000000000001 110.723 -177.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.473 ' O ' HG22 ' A' ' 42' ' ' VAL . 96.2 m-85 -124.47 144.0 50.33 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.384 -0.371 . . . . 4.1299999999999999 110.268 177.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -106.59 133.53 51.13 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.344 -0.389 . . . . 4.8399999999999999 110.553 178.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.89 150.69 22.81 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.49 -0.559 . . . . 4.5599999999999996 109.49 176.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -108.66 159.46 16.72 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.467 -0.333 . . . . 2.46 110.462 -171.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -99.29 133.52 43.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.264 -0.425 . . . . 1.1599999999999999 110.858 -178.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -85.27 98.87 10.76 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.29 -0.414 . . . . 3.5600000000000001 110.312 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -114.51 111.13 20.9 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.95 0.405 . . . . 1.49 110.598 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.519 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 91.3 m -99.14 107.28 19.61 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.125 -0.489 . . . . 1.0700000000000001 109.764 174.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -103.45 168.74 8.97 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.918 -0.583 . . . . 2.48 111.028 -174.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 81.7 m -86.53 125.42 33.75 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.787 -0.642 . . . . 1.73 109.909 177.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.492 ' NE ' ' HB ' ' A' ' 18' ' ' VAL . 74.1 mtt180 -77.79 -10.65 59.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.128 0.489 . . . . 3.48 110.697 178.03 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -158.09 155.94 30.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.69 -0.686 . . . . 2.5800000000000001 109.732 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.434 ' HB3' ' CE2' ' A' ' 79' ' ' TYR . 27.6 m -86.68 -28.95 22.83 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.352 -0.61 . . . . 2.7599999999999998 109.352 174.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.4 ' HA ' ' HD2' ' A' ' 63' ' ' PRO . 7.3 m120 -142.19 94.88 6.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.007 -0.997 . . . . 2.5899999999999999 109.112 175.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 62' ' ' ASN . 18.2 Cg_endo -58.56 -31.58 94.77 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.579 2.186 . . . . 2.5699999999999998 112.302 -178.216 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.0 m -117.96 152.71 19.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.096 -0.705 . . . . 2.5299999999999998 109.096 175.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -78.19 70.94 4.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.35 0.595 . . . . 4.1900000000000004 110.658 -175.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.1 t 178.09 -39.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.812 -1.086 . . . . 3.8999999999999999 109.039 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.452 ' CA ' ' HB2' ' A' ' 78' ' ' SER . . . 179.89 -111.23 0.31 Allowed Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.73 -0.668 . . . . 2.6000000000000001 111.745 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 86.3 m -123.41 174.33 7.43 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.287 -0.264 . . . . 1.73 110.287 179.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 69' ' ' ARG . 54.9 mtt-85 -71.29 121.67 18.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.452 -0.34 . . . . 3.9399999999999999 110.958 -175.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 88.24 -7.64 80.94 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.737 -0.744 . . . . 1.6100000000000001 113.357 173.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.442 HG22 ' H ' ' A' ' 73' ' ' SER . 50.1 mm -76.78 135.32 26.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.893 0.378 . . . . 1.6499999999999999 111.095 -178.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -48.61 -47.85 39.76 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.282 -0.872 . . . . 3.3199999999999998 111.309 174.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.442 ' H ' HG22 ' A' ' 71' ' ' ILE . 16.7 t 70.83 -1.99 2.45 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.373 -0.831 . . . . 4.6299999999999999 112.569 169.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -99.12 -40.73 7.85 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.192 0.52 . . . . 3.0600000000000001 109.818 178.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -92.08 -1.76 57.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.829 -0.623 . . . . 3.5099999999999998 110.226 177.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 19.6 m-90 -146.31 136.62 23.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.09 -0.505 . . . . 3.1699999999999999 111.117 -177.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.443 ' H ' ' C ' ' A' ' 113' ' ' SER . 85.8 m-20 -88.36 141.03 28.87 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 107.319 -1.363 . . . . 2.6899999999999999 107.319 164.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.664 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 6.0 m -117.9 142.79 46.94 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.858 0.361 . . . . 1.9299999999999999 111.315 -173.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.434 ' CE2' ' HB3' ' A' ' 61' ' ' SER . 79.3 t80 -151.94 133.84 14.92 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.022 -0.536 . . . . 3.73 109.721 177.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 64.2 m -79.3 120.59 23.98 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.15 0.5 . . . . 1.6699999999999999 110.614 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 38.3 m -125.29 132.43 52.9 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.747 -0.66 . . . . 2.2400000000000002 109.622 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 107' ' ' ALA . 3.3 p -80.08 135.04 36.25 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.959 0.409 . . . . 2.7799999999999998 111.444 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.9 m -76.38 124.05 26.93 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.323 -0.621 . . . . 2.6899999999999999 109.323 176.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -97.94 115.74 28.75 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.347 -0.388 . . . . 3.71 110.163 -176.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.5 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 6.7 t -111.66 157.99 19.8 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.77 -0.826 . . . . 1.48 108.77 177.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.459 ' CE2' ' HB3' ' A' ' 103' ' ' ARG . 95.9 m-85 -107.28 116.92 32.78 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.901 0.381 . . . . 1.75 110.372 -175.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.2 m -112.19 154.96 13.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.981 -0.554 . . . . 1.0800000000000001 111.459 -176.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -81.4 106.38 13.31 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.203 -0.908 . . . . 3.8199999999999998 109.93 -178.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.18 145.81 50.91 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.83 0.348 . . . . 1.1299999999999999 111.06 -178.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.9 tp -80.66 115.81 20.36 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.767 -0.827 . . . . 1.45 108.767 175.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.406 HG22 ' HA ' ' A' ' 38' ' ' VAL . 68.9 p -125.29 149.14 48.34 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.522 -0.308 . . . . 1.1399999999999999 110.93 -175.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.9 t -120.26 111.65 18.06 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.475 0.655 . . . . 1.3200000000000001 109.87 175.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -72.73 -37.88 67.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.627 -0.715 . . . . 2.4700000000000002 110.213 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -135.21 -79.98 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 3.0899999999999999 110.768 177.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -125.45 -7.98 6.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.565 -0.289 . . . . 3.29 111.774 -176.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -114.62 127.49 55.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.989 0.423 . . . . 2.7400000000000002 110.969 -175.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -87.06 123.84 32.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.79 -0.641 . . . . 1.4399999999999999 110.369 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -138.1 146.8 43.32 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.25 -0.432 . . . . 1.3799999999999999 110.506 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 86.0 m95 -74.6 119.24 18.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.013 -0.54 . . . . 2.3500000000000001 110.569 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -129.75 169.92 14.51 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.664 -0.698 . . . . 3.48 109.961 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -98.9 118.47 35.73 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.658 -0.701 . . . . 1.98 109.905 174.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 36.8 pt -113.82 144.17 21.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.42 -0.355 . . . . 0.85999999999999999 110.174 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.5 ' HA ' ' O ' ' A' ' 85' ' ' THR . 38.1 ptt180 -85.01 120.93 27.08 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.924 -0.58 . . . . 3.71 110.445 -178.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 49.3 pt -113.86 153.03 15.46 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.98 -0.555 . . . . 0.82999999999999996 110.146 176.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -82.02 93.08 6.9 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.586 -0.894 . . . . 1.6899999999999999 108.586 178.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.4 t -92.96 -16.23 25.35 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.371 0.508 . . . . 2.29 112.371 -168.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -155.51 164.05 39.19 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.526 -0.176 . . . . 1.1399999999999999 110.526 -177.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 42.4 t -124.89 115.94 21.42 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.916 -0.402 . . . . 1.5600000000000001 109.916 177.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 19.3 m -117.07 167.02 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.054 -0.521 . . . . 1.0700000000000001 109.947 -178.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.664 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 48.0 t -114.47 119.65 37.59 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.759 -0.459 . . . . 1.45 109.759 176.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.455 HG11 ' HA2' ' B' ' 10' ' ' GLY . 12.1 m -84.47 146.22 7.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.983 -0.553 . . . . 1.52 109.569 178.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.7 mt -124.16 136.41 54.17 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.748 -0.381 . . . . 1.6699999999999999 110.667 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.443 ' C ' ' H ' ' A' ' 77' ' ' ASN . 46.2 t -179.09 109.62 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.0 -0.545 . . . . 2.6200000000000001 110.993 174.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -100.09 -15.33 18.24 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.841 -0.8 . . . . 6.7300000000000004 108.841 164.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -162.27 33.28 0.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.257 -0.883 . . . . 4.5899999999999999 111.223 -168.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -121.67 131.61 54.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.547 0.213 . . . . 4.5 111.19 -177.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 64.9 p 56.13 174.81 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.236 1.014 . . . . 5.7400000000000002 113.151 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.536 ' HA ' ' NE ' ' A' ' 118' ' ' ARG . 5.4 tpm_? . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.051 -0.976 . . . . 8.6699999999999999 111.28 -178.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 18.8 p . . . . . 0 N--CA 1.472 0.662 0 CA-C-O 120.827 0.346 . . . . 13.98 110.241 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 13.3 p -114.22 44.26 1.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.988 0.423 . . . . 12.76 111.007 -178.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 7.5 p -72.36 -28.37 62.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.206 0.527 . . . . 11.359999999999999 110.787 179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 -139.31 75.76 32.95 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.828 -0.623 . . . . 10.289999999999999 110.448 178.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.94 89.35 1.02 Allowed 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.373 2.049 . . . . 7.6299999999999999 111.52 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 6.5 t 57.13 45.07 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.197 0 CA-C-O 122.109 0.957 . . . . 6.6500000000000004 109.384 -175.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -81.19 2.59 27.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.237 -0.892 . . . . 7.2699999999999996 110.047 -176.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -63.74 -23.79 67.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.43 -0.805 . . . . 7.7199999999999998 109.641 173.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 67.8 mtm -67.93 -19.85 65.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.984 -0.553 . . . . 5.3399999999999999 110.353 176.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.455 ' HA2' HG11 ' A' ' 111' ' ' VAL . . . -76.74 -2.21 75.29 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.989 -0.551 . . . . 3.98 112.021 178.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -94.47 5.91 50.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.907 0.384 . . . . 4.6200000000000001 110.0 178.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -94.74 139.78 30.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.033 -0.531 . . . . 3.6499999999999999 110.514 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 37.8 t -143.31 157.9 44.09 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.678 -0.692 . . . . 2.4199999999999999 109.36 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 27.9 m -72.21 -8.27 11.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.782 -0.645 . . . . 1.4099999999999999 110.944 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 48.9 t -138.78 138.51 37.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.7 -0.682 . . . . 1.75 109.85 176.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.14 115.8 3.43 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.981 -0.554 . . . . 2.8700000000000001 111.167 -178.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 19.6 m -112.97 142.31 45.8 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.752 -0.658 . . . . 1.72 111.095 -174.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' B' ' 56' ' ' THR . 3.9 p -118.31 115.59 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.18 -0.464 . . . . 1.51 110.865 176.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 49.7 m -92.32 115.99 28.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.437 -0.347 . . . . 1.6599999999999999 110.63 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 46.3 t -119.67 138.46 50.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.293 -0.412 . . . . 1.03 110.839 -177.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -96.69 96.3 8.52 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.716 -0.846 . . . . 1.6100000000000001 108.716 170.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 21.7 t -86.23 112.64 22.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.717 -0.674 . . . . 0.95999999999999996 111.19 -172.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.55 12.4 30.43 Favored Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 110.905 -0.878 . . . . 1.27 110.905 174.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -125.05 30.75 5.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.11 0.481 . . . . 3.0099999999999998 110.151 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 40.8 tttp -88.54 102.26 14.75 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.058 -0.519 . . . . 1.3200000000000001 109.612 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.479 ' O ' ' HA ' ' B' ' 37' ' ' THR . 8.8 t -103.05 -5.63 23.14 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.468 -0.333 . . . . 1.8200000000000001 111.539 -176.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.1 p -141.95 133.91 27.37 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.714 0.292 . . . . 1.0 110.978 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.78 170.3 20.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.137 -0.483 . . . . 0.79000000000000004 110.546 176.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' B' ' 34' ' ' LYS . 9.4 m -98.2 122.46 41.38 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.795 -0.639 . . . . 1.01 110.698 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -66.0 160.48 23.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.245 -0.889 . . . . 1.8400000000000001 109.373 175.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 13.3 tt -58.56 -26.64 31.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.954 0.407 . . . . 1.3300000000000001 111.16 -179.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -79.76 -10.27 59.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.273 -0.421 . . . . 2.2200000000000002 111.254 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.84 12.95 38.77 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.711 -0.756 . . . . 1.25 112.618 178.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.447 ' O ' ' HA ' ' B' ' 29' ' ' THR . 75.7 mmtt -88.56 155.36 19.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.732 0.301 . . . . 2.1400000000000001 110.578 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -101.57 115.36 30.33 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.156 -0.683 . . . . 2.1899999999999999 109.156 175.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 29.5 m -126.17 158.17 35.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.144 0.497 . . . . 1.01 111.679 -173.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . 0.479 ' HA ' ' O ' ' B' ' 26' ' ' THR . 40.3 m -83.43 112.06 19.6 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.094 -0.957 . . . . 1.04 110.621 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.403 ' HA ' HG22 ' B' ' 91' ' ' THR . 54.3 t -84.06 135.01 25.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.868 -0.605 . . . . 1.1000000000000001 109.945 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 68.5 mt -103.46 119.03 38.09 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.106 -0.497 . . . . 1.9099999999999999 109.717 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.52 -13.68 60.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.69 0.757 . . . . 2.1800000000000002 109.784 177.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -105.73 114.23 28.26 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 114.627 -1.17 . . . . 3.5899999999999999 108.154 174.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.461 HG22 ' O ' ' B' ' 49' ' ' PHE . 27.8 m -95.86 108.36 21.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.874 0.845 . . . . 2.3900000000000001 111.485 -176.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -88.93 99.46 12.42 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.755 -1.111 . . . . 3.25 109.049 176.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 63.1 mt -85.83 -64.88 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.867 0.365 . . . . 2.77 110.251 -178.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . 0.549 ' N ' HD22 ' B' ' 45' ' ' ASN . 0.0 OUTLIER -163.46 87.4 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.846 -0.616 . . . . 3.8399999999999999 109.726 177.172 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 19.7 m120 59.72 40.58 19.62 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.313 -0.858 . . . . 4.7599999999999998 110.439 -176.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 15.6 t -165.23 118.45 1.21 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.592 -0.731 . . . . 3.3300000000000001 109.372 -178.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 40.2 t -111.02 133.66 55.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.092 -0.504 . . . . 2.3799999999999999 110.567 -178.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . 0.461 ' O ' HG22 ' B' ' 42' ' ' VAL . 96.2 m-85 -124.72 144.28 50.31 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.339 -0.391 . . . . 4.1299999999999999 110.249 177.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -106.6 133.8 50.73 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.354 -0.384 . . . . 4.8399999999999999 110.637 177.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.22 150.93 22.4 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.565 -0.532 . . . . 4.5599999999999996 109.565 176.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -108.9 159.8 16.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.488 -0.324 . . . . 2.4500000000000002 110.54 -171.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -99.56 133.45 43.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.302 -0.408 . . . . 1.1599999999999999 110.791 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -85.22 98.87 10.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.404 -0.362 . . . . 3.5600000000000001 110.289 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -114.49 111.17 20.97 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.991 0.424 . . . . 1.49 110.741 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.522 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 90.3 m -99.14 107.55 19.94 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.078 -0.51 . . . . 1.0700000000000001 109.627 174.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -103.68 168.83 8.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.926 -0.579 . . . . 2.48 111.033 -174.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 80.4 m -86.74 125.43 33.9 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.712 -0.676 . . . . 1.73 109.985 177.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . 0.493 ' NE ' ' HB ' ' B' ' 18' ' ' VAL . 74.0 mtt180 -77.52 -11.23 59.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.032 0.444 . . . . 3.4900000000000002 110.628 178.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -157.66 156.09 31.15 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.691 -0.686 . . . . 2.5800000000000001 109.756 178.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . 0.432 ' HB3' ' CE2' ' B' ' 79' ' ' TYR . 25.3 m -86.78 -28.66 22.85 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.39 -0.596 . . . . 2.7599999999999998 109.39 174.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . 0.403 ' HA ' ' HD2' ' B' ' 63' ' ' PRO . 7.3 m120 -142.55 94.93 6.6 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.024 -0.989 . . . . 2.5899999999999999 109.096 175.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' B' ' 62' ' ' ASN . 17.7 Cg_endo -58.46 -31.97 95.33 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.501 2.134 . . . . 2.5699999999999998 112.162 -178.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 28.7 m -117.4 152.84 19.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.777 -0.647 . . . . 2.5299999999999998 109.336 175.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -78.52 71.37 4.98 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.44 0.638 . . . . 4.2000000000000002 110.573 -175.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 21.4 t 177.86 -40.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.634 -1.166 . . . . 3.8999999999999999 108.995 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.455 ' CA ' ' HB2' ' B' ' 78' ' ' SER . . . 179.91 -111.39 0.31 Allowed Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.668 -0.697 . . . . 2.6000000000000001 111.772 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 86.0 m -123.23 174.71 7.11 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.336 -0.246 . . . . 1.74 110.336 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 54.8 mtt180 -71.56 122.14 19.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.413 -0.358 . . . . 3.9500000000000002 110.872 -175.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 87.94 -7.96 79.58 Favored Glycine 0 CA--C 1.517 0.18 0 C-N-CA 120.878 -0.677 . . . . 1.6000000000000001 113.47 173.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . 0.44 HG22 ' H ' ' B' ' 73' ' ' SER . 50.3 mm -76.74 135.06 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.054 0.454 . . . . 1.6499999999999999 111.06 -178.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -48.41 -47.82 37.51 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.112 -0.949 . . . . 3.3199999999999998 111.401 174.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.44 ' H ' HG22 ' B' ' 71' ' ' ILE . 16.3 t 70.83 -2.12 2.4 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.397 -0.819 . . . . 4.6299999999999999 112.672 169.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -99.06 -40.79 7.85 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.174 0.511 . . . . 3.0600000000000001 109.735 178.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -91.89 -2.2 56.94 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.799 -0.637 . . . . 3.5099999999999998 110.232 177.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . 19.7 m-90 -146.04 136.47 23.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 3.1699999999999999 111.165 -176.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' ASN . . . . . 0.448 ' H ' ' C ' ' B' ' 113' ' ' SER . 86.0 m-20 -88.19 140.95 28.96 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.253 -1.388 . . . . 2.7000000000000002 107.253 164.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.665 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 5.9 m -117.75 143.05 46.59 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.799 0.333 . . . . 1.9299999999999999 111.262 -173.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' B' ' 61' ' ' SER . 78.9 t80 -152.02 134.0 14.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.072 -0.513 . . . . 3.73 109.732 177.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 64.1 m -79.64 120.44 23.97 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.007 0.432 . . . . 1.6699999999999999 110.572 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 37.4 m -125.18 132.93 52.95 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.782 -0.645 . . . . 2.25 109.553 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' B' ' 107' ' ' ALA . 3.1 p -80.62 135.03 35.98 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.119 0.485 . . . . 2.7799999999999998 111.289 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 7.0 m -76.26 123.95 26.72 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 109.346 -0.613 . . . . 2.6899999999999999 109.346 176.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -97.95 116.01 29.31 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.245 -0.434 . . . . 3.71 110.08 -176.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.507 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 6.8 t -111.96 157.92 20.12 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.855 -0.794 . . . . 1.48 108.855 177.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.453 ' CE2' ' HB3' ' B' ' 103' ' ' ARG . 96.3 m-85 -107.21 116.73 32.45 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.911 0.386 . . . . 1.75 110.437 -175.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 22.8 m -112.04 155.02 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.932 -0.576 . . . . 1.0800000000000001 111.368 -176.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -81.62 106.48 13.6 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.139 -0.937 . . . . 3.8199999999999998 109.815 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.24 145.63 50.98 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.41 -0.359 . . . . 1.1299999999999999 111.022 -178.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 25.0 tp -80.4 115.78 20.12 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.81 -0.811 . . . . 1.45 108.81 175.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . 0.403 HG22 ' HA ' ' B' ' 38' ' ' VAL . 70.8 p -125.38 148.95 48.57 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 120.678 0.275 . . . . 1.1499999999999999 110.875 -175.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.402 HG23 ' HB ' ' B' ' 37' ' ' THR . 5.0 t -120.13 111.83 18.35 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.282 0.563 . . . . 1.3200000000000001 109.794 175.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -72.92 -37.85 67.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.625 -0.716 . . . . 2.46 110.196 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -134.9 -80.19 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.173 -0.467 . . . . 3.0899999999999999 110.868 177.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -125.39 -8.04 6.95 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.807 0.299 . . . . 3.2999999999999998 111.807 -176.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -114.65 127.21 55.64 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.976 0.417 . . . . 2.7400000000000002 110.961 -175.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.84 124.26 32.88 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.887 -0.597 . . . . 1.4399999999999999 110.341 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -138.26 146.97 43.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.265 -0.425 . . . . 1.3899999999999999 110.423 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 85.9 m95 -74.91 118.91 18.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.06 -0.518 . . . . 2.3500000000000001 110.626 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' B' ' 100' ' ' ARG . 24.1 mmt180 -129.48 169.54 14.84 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.773 -0.649 . . . . 3.48 109.997 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -98.54 118.46 35.28 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.736 -0.665 . . . . 1.98 110.017 174.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 37.1 pt -113.88 144.14 22.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.883 0.373 . . . . 0.85999999999999999 110.175 179.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.507 ' HA ' ' O ' ' B' ' 85' ' ' THR . 37.9 ptt180 -85.04 120.7 26.85 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.936 -0.575 . . . . 3.7200000000000002 110.364 -178.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 48.9 pt -113.72 152.89 15.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 116.038 -0.528 . . . . 0.82999999999999996 110.129 176.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -81.7 93.13 6.72 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.656 -0.868 . . . . 1.6899999999999999 108.656 177.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 10.3 t -92.9 -16.41 25.24 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.317 0.488 . . . . 2.29 112.317 -168.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . 0.42 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -155.44 163.99 39.3 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.542 -0.17 . . . . 1.1499999999999999 110.542 -177.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 42.0 t -124.78 116.02 21.63 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.897 -0.408 . . . . 1.5600000000000001 109.897 177.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 19.3 m -117.1 167.18 10.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.121 -0.49 . . . . 1.0800000000000001 109.963 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.665 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 47.1 t -114.63 119.78 37.91 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.715 -0.476 . . . . 1.45 109.715 176.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.448 HG11 ' HA2' ' A' ' 10' ' ' GLY . 11.9 m -84.45 146.36 6.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.935 -0.575 . . . . 1.52 109.519 178.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 83.0 mt -124.36 136.31 53.99 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.769 -0.372 . . . . 1.6699999999999999 110.579 -179.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.448 ' C ' ' H ' ' B' ' 77' ' ' ASN . 48.4 t -179.06 109.71 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.06 -0.518 . . . . 2.6200000000000001 111.054 174.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -100.09 -15.69 18.11 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.881 -0.785 . . . . 6.7199999999999998 108.881 164.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -161.94 33.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.143 -0.935 . . . . 4.5899999999999999 111.28 -168.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -121.49 131.53 54.2 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.144 -0.223 . . . . 4.5 111.181 -177.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 67.4 p 56.34 174.92 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.351 1.06 . . . . 5.7400000000000002 113.177 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' ARG . . . . . 0.536 ' HA ' ' NE ' ' B' ' 118' ' ' ARG . 5.3 tpm_? . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.034 -0.984 . . . . 8.6799999999999997 111.344 -178.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 110.02 -0.363 . . . . 13.98 110.02 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t -140.12 36.78 1.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.364 0.602 . . . . 12.75 110.231 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.2 p -87.58 86.16 7.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.064 -0.516 . . . . 11.35 110.468 177.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.0 t60 -135.92 74.9 56.28 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.937 -0.574 . . . . 10.279999999999999 110.295 -178.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -82.51 42.86 1.38 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.735 2.29 . . . . 7.6299999999999999 112.304 -179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.433 ' O ' HG12 ' A' ' 6' ' ' VAL . 12.8 t 55.31 36.14 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 115.731 -0.668 . . . . 6.6500000000000004 110.168 -179.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.652 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 85.9 m-85 51.61 33.61 11.04 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.753 -0.658 . . . . 7.2699999999999996 111.296 -177.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 59.3 m80 62.26 12.58 5.27 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.714 -0.676 . . . . 7.7199999999999998 110.911 178.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 22.1 ptp 42.27 37.14 0.84 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.329 1.052 . . . . 5.3399999999999999 111.488 -175.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.95 -28.41 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.59 -0.732 . . . . 3.98 112.956 -176.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.652 ' HG2' ' O ' ' A' ' 7' ' ' PHE . 13.0 pt-20 -96.86 39.03 1.19 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.562 0.696 . . . . 4.6299999999999999 110.694 179.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.478 ' HB2' ' HB ' ' B' ' 111' ' ' VAL . 23.6 m-85 -95.86 155.33 16.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.499 -0.773 . . . . 3.6499999999999999 110.425 177.106 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.2 t -150.3 147.21 27.36 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.451 -0.574 . . . . 2.4199999999999999 109.451 176.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.433 HG12 HD11 ' B' ' 112' ' ' LEU . 34.5 m -69.58 -14.41 18.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.015 -0.539 . . . . 1.4099999999999999 110.628 177.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.2 m -113.89 136.73 52.57 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.112 -0.949 . . . . 1.75 110.115 177.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.465 ' HB2' ' HB3' ' A' ' 60' ' ' ALA . 14.8 m-20 -65.6 114.15 4.73 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.347 -0.612 . . . . 2.8700000000000001 109.347 176.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.5 m -118.02 135.27 54.27 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.582 -0.735 . . . . 1.72 110.502 -173.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.7 p -116.76 114.77 46.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 116.178 -0.465 . . . . 1.51 110.143 177.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.417 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 57.6 m -96.3 119.63 35.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.178 -0.465 . . . . 1.6599999999999999 110.212 179.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.6 t -119.54 137.8 52.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.922 -0.581 . . . . 1.03 110.267 -178.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 87.8 m95 -99.04 95.45 7.14 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.466 -0.939 . . . . 1.6100000000000001 108.466 171.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.518 ' HB ' ' HB2' ' A' ' 53' ' ' PHE . 41.7 t -79.17 135.66 25.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 116.042 -0.526 . . . . 0.95999999999999996 109.831 -176.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -100.82 -7.67 50.16 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.554 -0.831 . . . . 1.27 112.688 -177.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.48 ' H ' HG12 ' A' ' 22' ' ' VAL . 27.2 t70 -148.55 105.12 3.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.085 0.469 . . . . 3.02 111.023 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.591 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 87.9 tttt -128.33 100.87 5.98 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.635 -0.876 . . . . 1.3200000000000001 108.635 174.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 37' ' ' THR . 8.9 t -81.18 -13.32 58.71 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.797 0.666 . . . . 1.8200000000000001 112.797 -168.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -143.11 136.3 28.13 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 122.234 -0.291 . . . . 1.01 111.122 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -148.14 170.2 18.35 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.005 -0.543 . . . . 0.79000000000000004 110.309 177.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.465 ' HB ' ' HG2' ' A' ' 103' ' ' ARG . 14.4 m -103.01 120.47 40.69 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.241 -0.436 . . . . 1.02 110.37 179.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.437 ' OD1' ' HB3' ' A' ' 100' ' ' ARG . 12.6 t70 -67.88 159.58 30.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.959 -0.564 . . . . 1.8500000000000001 109.592 176.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.3 tt -55.34 -27.49 20.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.962 0.41 . . . . 1.3300000000000001 111.704 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -78.87 -11.65 60.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.761 0.315 . . . . 2.2200000000000002 111.055 -178.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.5 25.44 10.9 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.905 -0.664 . . . . 1.25 112.372 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -102.42 144.05 31.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.7 0.286 . . . . 2.1400000000000001 110.843 -179.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -87.8 115.38 25.21 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.069 -0.715 . . . . 2.1899999999999999 109.069 174.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.9 m -123.05 149.3 26.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 120.951 0.405 . . . . 1.02 111.714 -175.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 26' ' ' THR . 22.4 m -82.77 109.45 16.93 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.333 -0.849 . . . . 1.04 109.743 177.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.591 ' HB ' ' O ' ' A' ' 25' ' ' LYS . 48.5 t -88.57 134.96 26.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.92 -0.582 . . . . 1.1000000000000001 110.753 -175.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 41.7 mt -103.06 119.76 39.43 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.948 -0.569 . . . . 1.9099999999999999 109.558 178.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.91 -22.03 63.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.264 0.554 . . . . 2.1800000000000002 110.287 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.429 ' OE1' ' HB3' ' A' ' 50' ' ' ARG . 11.6 mm-40 -105.29 115.55 30.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.914 -1.039 . . . . 3.5899999999999999 108.524 176.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.51 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 20.3 m -101.87 127.99 54.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 C-N-CA 120.638 -0.425 . . . . 2.3999999999999999 110.494 -178.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -102.98 117.31 34.31 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.531 0.682 . . . . 3.25 110.592 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 52.4 mt -118.06 88.31 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.554 -0.748 . . . . 2.77 109.243 175.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.499 HD22 ' N ' ' A' ' 45' ' ' ASN . 0.9 OUTLIER 64.23 53.97 1.68 Allowed 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.85 -0.614 . . . . 3.8399999999999999 110.036 -178.713 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.2 m120 73.44 -12.12 0.85 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.055 -0.975 . . . . 4.7599999999999998 112.115 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.5 m -84.49 113.89 21.54 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.079 -0.712 . . . . 3.3300000000000001 109.079 175.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.51 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 41.9 t -112.84 130.06 67.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.106 -0.497 . . . . 2.3700000000000001 110.715 -175.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.431 ' O ' HG22 ' A' ' 42' ' ' VAL . 49.8 p90 -139.04 154.22 48.19 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.0 -0.741 . . . . 4.1299999999999999 109.0 172.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.429 ' HB3' ' OE1' ' A' ' 41' ' ' GLU . 35.7 ptt180 -97.1 153.58 17.87 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.209 0.528 . . . . 4.8399999999999999 111.355 -173.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -117.68 158.25 25.03 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.562 -0.745 . . . . 4.5599999999999996 109.908 176.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -117.51 138.3 51.98 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.313 -0.625 . . . . 2.46 109.313 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.518 ' HB2' ' HB ' ' A' ' 22' ' ' VAL . 28.5 m-85 -98.7 109.4 22.16 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.847 -0.427 . . . . 1.1599999999999999 109.847 -179.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -84.24 99.08 10.33 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.09 -0.504 . . . . 3.5600000000000001 109.955 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 105' ' ' ASP . 23.8 mt-10 -112.58 112.09 23.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.093 -0.503 . . . . 1.49 110.642 -178.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.417 ' HA ' ' HA ' ' A' ' 19' ' ' SER . 46.4 m -99.42 108.74 21.29 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.175 -0.676 . . . . 1.0700000000000001 109.175 174.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -110.26 152.23 26.39 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.285 0.564 . . . . 2.48 111.505 -171.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 51.4 m -83.56 93.26 7.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.198 -0.91 . . . . 1.73 109.64 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -70.19 -22.6 62.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.004 0.43 . . . . 3.48 110.303 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.465 ' HB3' ' HB2' ' A' ' 16' ' ' ASP . . . -134.25 103.01 5.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.74 -0.664 . . . . 2.5800000000000001 109.552 173.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.433 ' HA ' ' HB2' ' A' ' 80' ' ' CYS . 26.2 t -74.39 -26.72 60.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.04 0.448 . . . . 2.7599999999999998 109.976 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -132.85 82.37 55.73 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.813 -0.63 . . . . 2.5899999999999999 109.54 175.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.427 ' HG2' ' HA ' ' A' ' 68' ' ' CYS . 11.2 Cg_endo -56.51 -33.7 93.18 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.476 2.117 . . . . 2.5699999999999998 112.291 178.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.2 m -109.78 -177.3 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.383 0 C-N-CA 121.066 -0.253 . . . . 2.5299999999999998 110.579 176.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -49.88 -41.81 46.45 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 113.089 0.774 . . . . 4.1900000000000004 113.089 -173.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.2 m -150.05 53.13 0.91 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 121.966 -0.459 . . . . 3.8999999999999999 111.903 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.404 ' HA3' ' HB3' ' A' ' 78' ' ' SER . . . 150.82 -150.21 22.17 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 119.751 -1.214 . . . . 2.6000000000000001 113.147 174.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.427 ' HA ' ' HG2' ' A' ' 63' ' ' PRO . 36.1 m -94.01 166.02 12.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.689 0.281 . . . . 1.73 110.617 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -69.78 122.2 18.74 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.407 -0.36 . . . . 3.9399999999999999 110.745 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 103.26 -25.93 25.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.034 -0.603 . . . . 1.6100000000000001 112.266 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 51.2 mm -74.19 135.76 26.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.854 0.359 . . . . 1.6499999999999999 111.378 -176.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -86.24 105.63 16.75 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.456 -0.572 . . . . 3.3199999999999998 109.456 176.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.492 ' HA ' ' O ' ' A' ' 76' ' ' TRP . 30.2 m -60.81 -21.99 63.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.038 -0.528 . . . . 4.6299999999999999 111.841 -176.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -76.17 -28.59 57.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.526 -0.307 . . . . 3.0600000000000001 111.134 178.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.526 ' O ' ' HB3' ' A' ' 114' ' ' ARG . 19.4 m-70 -95.99 -26.47 15.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.468 -0.333 . . . . 3.5099999999999998 110.946 179.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.492 ' O ' ' HA ' ' A' ' 73' ' ' SER . 93.5 m95 -143.31 128.27 18.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 3.1699999999999999 110.874 -179.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.404 ' HB3' ' O ' ' A' ' 113' ' ' SER . 23.4 t-20 -81.58 134.16 35.47 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 106.489 -1.671 . . . . 2.6899999999999999 106.489 167.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.404 ' HB3' ' HA3' ' A' ' 67' ' ' GLY . 46.8 t -139.98 148.26 41.64 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.209 -0.596 . . . . 1.9299999999999999 112.369 -165.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.553 ' O ' HG22 ' A' ' 111' ' ' VAL . 38.8 p90 -165.37 160.28 17.97 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.995 -1.002 . . . . 3.73 108.63 172.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.433 ' HB2' ' HA ' ' A' ' 61' ' ' SER . 33.5 m -99.81 133.19 44.52 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.456 -0.338 . . . . 1.6699999999999999 110.798 -177.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.8 t -131.84 147.51 52.49 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.847 -0.615 . . . . 2.2400000000000002 109.584 -178.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.3 p -84.5 144.46 28.7 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.12 0.486 . . . . 2.7799999999999998 111.969 -176.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 17.2 m -97.79 128.16 44.23 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.829 -0.623 . . . . 2.6899999999999999 109.574 175.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 18.1 p-80 -104.11 135.69 45.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.914 0.388 . . . . 3.71 111.086 -176.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.589 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 13.9 t -116.06 171.28 7.9 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.707 -0.849 . . . . 1.48 108.707 175.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.404 ' HA ' ' O ' ' A' ' 102' ' ' ILE . 88.9 m-85 -117.47 116.99 28.24 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.992 0.425 . . . . 1.75 110.942 -174.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.1 m -111.66 149.37 14.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.803 -0.635 . . . . 1.0800000000000001 111.11 -177.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -75.61 114.9 14.72 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.769 -0.65 . . . . 3.8199999999999998 110.445 179.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.89 146.68 50.55 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.175 -0.466 . . . . 1.1299999999999999 110.446 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 28.9 tp -82.13 109.18 16.2 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.464 -0.939 . . . . 1.45 108.464 175.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 76.9 p -115.84 162.34 17.46 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 116.107 -0.497 . . . . 1.1399999999999999 111.062 -175.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.9 t -136.32 137.71 40.93 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 109.617 -0.512 . . . . 1.3200000000000001 109.617 175.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -103.69 -10.5 18.31 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.881 0.372 . . . . 2.4700000000000002 110.332 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.524 ' HG3' ' H ' ' A' ' 95' ' ' LYS . 7.0 pt-20 -162.26 -58.81 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.934 -0.576 . . . . 3.0899999999999999 110.905 176.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.524 ' H ' ' HG3' ' A' ' 94' ' ' GLU . 99.7 mttt -145.6 -54.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.771 0.319 . . . . 3.29 110.97 -177.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 30.1 tp60 -68.55 112.33 5.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.303 -0.408 . . . . 2.7400000000000002 111.071 -178.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -73.88 137.49 43.74 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.947 -0.57 . . . . 1.4399999999999999 110.2 177.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.76 151.25 37.66 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.25 -0.432 . . . . 1.3799999999999999 110.542 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -81.87 121.6 26.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.169 -0.469 . . . . 2.3500000000000001 111.058 -178.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.437 ' HB3' ' OD1' ' A' ' 30' ' ' ASP . 24.9 mmt180 -128.33 176.54 7.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.849 -0.614 . . . . 3.48 110.318 179.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -113.94 112.79 23.9 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.234 -0.654 . . . . 1.98 109.234 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 42.6 pt -113.2 146.82 17.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.134 0.492 . . . . 0.85999999999999999 111.007 -174.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.589 ' HA ' ' O ' ' A' ' 85' ' ' THR . 12.5 ptm180 -78.45 131.23 36.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.505 -0.771 . . . . 3.71 111.16 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 44.5 pt -127.37 136.01 61.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.686 -0.688 . . . . 0.82999999999999996 109.252 168.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.47 ' O ' ' HA ' ' A' ' 55' ' ' GLU . 10.1 m-20 -75.67 105.78 6.89 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.278 -0.638 . . . . 1.6899999999999999 109.278 178.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.0 t -103.84 -8.82 19.46 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.778 -0.646 . . . . 2.29 112.13 -167.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -156.92 164.39 38.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.585 0.231 . . . . 1.1399999999999999 111.135 -178.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 46.9 t -126.95 120.52 29.31 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.448 -0.575 . . . . 1.5600000000000001 109.448 178.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 25.2 m -117.62 160.57 17.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.832 0.349 . . . . 1.0700000000000001 111.065 -175.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 41.7 t -106.42 122.2 45.8 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.972 -0.558 . . . . 1.45 110.542 -178.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.553 HG22 ' O ' ' A' ' 79' ' ' TYR . 14.7 m -94.69 148.39 5.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 C-N-CA 121.117 -0.233 . . . . 1.52 110.629 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.417 HD11 HG12 ' B' ' 14' ' ' VAL . 67.8 mt -128.07 136.7 51.57 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.864 -0.421 . . . . 1.6699999999999999 109.864 176.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' A' ' 77' ' ' ASN . 11.6 p -177.01 87.54 0.03 OUTLIER 'General case' 0 C--O 1.219 -0.5 0 N-CA-C 112.182 0.438 . . . . 2.6200000000000001 112.182 175.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.526 ' HB3' ' O ' ' A' ' 75' ' ' HIS . 6.9 tpm_? -103.16 -42.08 5.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 121.009 -1.057 . . . . 6.7300000000000004 109.924 162.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -104.43 10.61 35.2 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.511 -0.768 . . . . 4.5899999999999999 110.469 -175.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -99.93 -21.36 15.71 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.759 -0.655 . . . . 4.5 110.167 178.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 15.9 p -72.73 167.25 21.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.818 -0.628 . . . . 5.7400000000000002 110.88 -178.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.496 ' HE ' ' HA ' ' A' ' 118' ' ' ARG . 1.5 mmp_? . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.3 -0.857 . . . . 8.6699999999999999 109.847 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 109.861 -0.422 . . . . 13.98 109.861 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -139.88 36.7 1.97 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.202 0.525 . . . . 12.76 110.325 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 10.8 p -87.6 86.08 7.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.161 -0.472 . . . . 11.359999999999999 110.413 178.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 58.1 t60 -135.8 74.57 57.81 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.091 -0.504 . . . . 10.289999999999999 110.32 -178.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -82.33 42.85 1.38 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.848 2.365 . . . . 7.6299999999999999 112.117 -178.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . 0.431 ' O ' HG12 ' B' ' 6' ' ' VAL . 12.6 t 55.2 36.18 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 115.776 -0.647 . . . . 6.6500000000000004 110.314 -178.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . 0.664 ' O ' ' HG2' ' B' ' 11' ' ' GLU . 84.2 m-85 51.71 33.46 11.08 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 115.75 -0.659 . . . . 7.2699999999999996 111.297 -177.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 59.7 m80 62.28 12.51 5.24 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.721 -0.672 . . . . 7.7199999999999998 110.948 178.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 22.1 ptp 42.35 36.94 0.82 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.374 1.07 . . . . 5.3399999999999999 111.568 -175.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -145.61 -28.69 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.605 -0.725 . . . . 3.98 112.902 -177.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.664 ' HG2' ' O ' ' B' ' 7' ' ' PHE . 13.0 pt-20 -96.41 38.86 1.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.558 0.694 . . . . 4.6200000000000001 110.77 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . 0.494 ' HB2' ' HB ' ' A' ' 111' ' ' VAL . 23.6 m-85 -95.74 155.29 16.81 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.58 -0.736 . . . . 3.6499999999999999 110.438 177.186 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 37.2 t -150.51 146.81 26.84 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.443 -0.576 . . . . 2.4199999999999999 109.443 176.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.417 HG12 HD11 ' A' ' 112' ' ' LEU . 34.6 m -69.03 -14.89 19.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 115.95 -0.568 . . . . 1.4099999999999999 110.502 178.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 81.8 m -113.18 136.77 52.36 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.266 -0.879 . . . . 1.75 110.116 177.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . 0.487 ' HB2' ' HB3' ' B' ' 60' ' ' ALA . 14.3 m-20 -65.77 113.82 4.59 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 109.314 -0.624 . . . . 2.8700000000000001 109.314 176.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 19.2 m -117.54 135.95 53.59 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.543 -0.753 . . . . 1.72 110.449 -174.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 3.7 p -117.42 114.8 46.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.092 0.473 . . . . 1.51 110.132 176.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.408 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 61.4 m -96.03 119.62 34.85 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.147 -0.478 . . . . 1.6599999999999999 110.228 179.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 59.9 t -119.37 137.84 52.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 116.041 -0.527 . . . . 1.03 110.314 -178.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 87.4 m95 -99.22 95.59 7.18 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.477 -0.935 . . . . 1.6100000000000001 108.477 171.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.496 ' HB ' ' HB2' ' B' ' 53' ' ' PHE . 41.8 t -79.09 135.56 25.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.855 -0.611 . . . . 0.95999999999999996 109.827 -176.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -100.75 -7.61 50.45 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.544 -0.836 . . . . 1.27 112.597 -177.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.475 ' H ' HG12 ' B' ' 22' ' ' VAL . 24.3 t70 -148.68 105.52 3.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.898 0.38 . . . . 3.0099999999999998 111.096 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.571 ' O ' ' HB ' ' B' ' 38' ' ' VAL . 88.1 tttt -128.72 100.87 5.88 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.641 -0.874 . . . . 1.3200000000000001 108.641 174.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.425 ' O ' ' HA ' ' B' ' 37' ' ' THR . 9.3 t -81.3 -13.3 58.58 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.713 0.634 . . . . 1.8200000000000001 112.713 -168.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.2 p -143.07 135.94 27.83 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.769 0.318 . . . . 1.0 111.157 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -147.83 169.76 19.1 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.974 -0.557 . . . . 0.79000000000000004 110.344 177.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . 0.454 ' HB ' ' HG2' ' B' ' 103' ' ' ARG . 12.9 m -102.46 120.23 40.16 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.152 -0.476 . . . . 1.01 110.496 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . 0.437 ' OD1' ' HB3' ' B' ' 100' ' ' ARG . 12.7 t70 -67.73 159.82 29.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.88 -0.6 . . . . 1.8400000000000001 109.66 176.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 11.3 tt -55.26 -28.27 21.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.883 0.373 . . . . 1.3300000000000001 111.513 -179.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -78.46 -11.61 59.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.322 -0.399 . . . . 2.2200000000000002 110.996 -177.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.45 25.61 10.78 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.823 -0.703 . . . . 1.25 112.217 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -102.44 143.65 31.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.553 0.216 . . . . 2.1400000000000001 110.853 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -87.25 115.53 24.71 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.035 -0.728 . . . . 2.1899999999999999 109.035 174.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 18.4 m -123.12 149.19 26.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 120.916 0.388 . . . . 1.01 111.657 -175.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' B' ' 26' ' ' THR . 21.0 m -82.62 109.74 17.07 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.393 -0.822 . . . . 1.04 109.635 177.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.571 ' HB ' ' O ' ' B' ' 25' ' ' LYS . 48.6 t -88.77 135.04 26.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.939 -0.573 . . . . 1.1000000000000001 110.734 -175.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 42.5 mt -103.27 119.68 39.33 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.525 -0.546 . . . . 1.9099999999999999 109.525 178.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.0 -21.85 63.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.225 0.536 . . . . 2.1800000000000002 110.218 179.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.425 ' OE1' ' HB3' ' B' ' 50' ' ' ARG . 10.9 mm-40 -105.14 115.44 30.27 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.935 -1.029 . . . . 3.5899999999999999 108.535 176.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.507 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 20.1 m -102.01 128.08 54.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 120.529 -0.469 . . . . 2.3900000000000001 110.453 -178.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -102.92 117.42 34.57 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.424 0.63 . . . . 3.25 110.612 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 52.2 mt -118.11 88.68 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.638 -0.71 . . . . 2.77 109.159 175.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . 0.49 ' N ' HD22 ' B' ' 45' ' ' ASN . 0.9 OUTLIER 63.96 54.03 1.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.697 -0.683 . . . . 3.8399999999999999 110.033 -178.905 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 15.4 m120 73.48 -12.29 0.84 Allowed 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 114.993 -1.003 . . . . 4.7599999999999998 112.254 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 30.2 m -84.25 113.8 21.37 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.028 -0.73 . . . . 3.3300000000000001 109.028 175.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.507 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 41.7 t -112.96 129.38 68.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.105 -0.498 . . . . 2.3799999999999999 110.857 -175.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . 0.422 ' O ' HG22 ' B' ' 42' ' ' VAL . 49.8 p90 -138.54 154.36 48.75 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.019 -0.734 . . . . 4.1299999999999999 109.019 172.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.425 ' HB3' ' OE1' ' B' ' 41' ' ' GLU . 35.2 ptt180 -97.45 153.33 18.19 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.107 0.48 . . . . 4.8399999999999999 111.319 -173.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -117.32 158.11 24.96 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.644 -0.707 . . . . 4.5599999999999996 109.96 176.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -117.48 138.4 51.89 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.28 -0.637 . . . . 2.4500000000000002 109.28 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . 0.496 ' HB2' ' HB ' ' B' ' 22' ' ' VAL . 28.4 m-85 -98.83 109.48 22.23 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.883 -0.414 . . . . 1.1599999999999999 109.883 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -84.2 99.13 10.33 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.971 -0.559 . . . . 3.5600000000000001 109.962 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . 0.464 ' HA ' ' O ' ' B' ' 105' ' ' ASP . 23.8 mt-10 -112.69 112.29 23.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.134 -0.485 . . . . 1.49 110.608 -178.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.408 ' HA ' ' HA ' ' B' ' 19' ' ' SER . 48.5 m -99.61 108.66 21.11 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.095 -0.706 . . . . 1.0700000000000001 109.095 175.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -110.2 152.35 26.19 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.031 -0.531 . . . . 2.48 111.462 -171.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 45.7 m -83.55 93.11 7.77 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.283 -0.872 . . . . 1.73 109.578 178.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -69.87 -23.28 63.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.175 0.512 . . . . 3.4900000000000002 110.28 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.487 ' HB3' ' HB2' ' B' ' 16' ' ' ASP . . . -133.77 102.98 5.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.761 -0.654 . . . . 2.5800000000000001 109.577 173.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . 0.456 ' HA ' ' HB2' ' B' ' 80' ' ' CYS . 26.1 t -74.54 -26.53 60.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.214 0.531 . . . . 2.7599999999999998 110.06 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -132.92 82.32 55.53 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.722 -0.672 . . . . 2.5899999999999999 109.709 175.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . 0.432 ' HG2' ' HA ' ' B' ' 68' ' ' CYS . 11.3 Cg_endo -56.44 -33.68 92.74 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.507 2.138 . . . . 2.5699999999999998 112.315 178.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 35.4 m -109.86 -177.9 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.705 -0.225 . . . . 2.5299999999999998 110.554 176.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -49.44 -41.73 40.83 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.244 0.831 . . . . 4.2000000000000002 113.244 -173.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 48.8 m -149.99 53.1 0.92 Allowed 'General case' 0 C--N 1.328 -0.351 0 O-C-N 122.061 -0.399 . . . . 3.8999999999999999 111.877 -177.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.93 -150.04 21.95 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 119.852 -1.166 . . . . 2.6000000000000001 113.147 174.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.432 ' HA ' ' HG2' ' B' ' 63' ' ' PRO . 35.6 m -93.99 166.15 12.3 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.73 0.312 . . . . 1.74 110.613 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -69.83 121.96 18.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.349 -0.387 . . . . 3.9500000000000002 110.624 -177.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 103.62 -26.2 24.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.967 -0.635 . . . . 1.6000000000000001 112.408 178.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 51.4 mm -74.37 135.35 27.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.861 0.362 . . . . 1.6499999999999999 111.429 -176.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -85.77 105.59 16.41 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.425 -0.583 . . . . 3.3199999999999998 109.425 176.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.478 ' HA ' ' O ' ' B' ' 76' ' ' TRP . 35.2 m -60.26 -22.34 62.96 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.19 -0.459 . . . . 4.6299999999999999 111.835 -176.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -76.03 -28.65 57.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.679 0.276 . . . . 3.0600000000000001 111.014 178.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . 0.546 ' O ' ' HB3' ' B' ' 114' ' ' ARG . 20.1 m-70 -95.81 -27.01 15.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.845 0.355 . . . . 3.5099999999999998 110.869 179.481 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' TRP . . . . . 0.478 ' O ' ' HA ' ' B' ' 73' ' ' SER . 93.8 m95 -142.99 128.08 18.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 3.1699999999999999 110.908 -178.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' ASN . . . . . 0.415 ' HB3' ' O ' ' B' ' 113' ' ' SER . 23.7 t-20 -81.59 134.25 35.47 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 106.533 -1.655 . . . . 2.7000000000000002 106.533 167.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 47.3 t -140.15 148.03 41.04 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.432 0.634 . . . . 1.9299999999999999 112.263 -164.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . 0.546 ' O ' HG22 ' B' ' 111' ' ' VAL . 38.4 p90 -165.16 160.32 18.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.805 -1.089 . . . . 3.73 108.727 172.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.456 ' HB2' ' HA ' ' B' ' 61' ' ' SER . 33.5 m -99.84 133.48 44.14 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.495 -0.321 . . . . 1.6699999999999999 110.804 -177.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 13.6 t -132.24 147.61 52.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.818 -0.628 . . . . 2.25 109.673 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.5 p -84.89 144.05 28.63 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.121 0.486 . . . . 2.7799999999999998 111.945 -176.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 15.9 m -97.34 128.19 43.95 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.823 -0.626 . . . . 2.6899999999999999 109.633 175.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 17.7 p-80 -104.25 135.69 45.25 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.008 0.432 . . . . 3.71 111.009 -176.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.593 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 14.0 t -116.06 171.4 7.82 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.646 -0.872 . . . . 1.48 108.646 175.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.405 ' HA ' ' O ' ' B' ' 102' ' ' ILE . 88.6 m-85 -117.6 116.77 27.75 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.027 0.441 . . . . 1.75 110.853 -174.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 23.1 m -111.58 149.41 14.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.857 -0.611 . . . . 1.0800000000000001 111.048 -177.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -75.7 114.96 14.88 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.89 -0.595 . . . . 3.8199999999999998 110.41 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.81 146.87 50.46 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.18 -0.463 . . . . 1.1299999999999999 110.379 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 29.4 tp -82.44 109.31 16.56 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 108.431 -0.952 . . . . 1.45 108.431 175.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 77.0 p -115.73 162.3 17.47 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 116.222 -0.444 . . . . 1.1499999999999999 111.136 -175.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 7.9 t -136.13 137.77 41.33 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 109.706 -0.479 . . . . 1.3200000000000001 109.706 175.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -103.85 -10.27 18.35 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.309 -0.405 . . . . 2.46 110.226 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . 0.514 ' HG3' ' H ' ' B' ' 95' ' ' LYS . 6.8 pt-20 -162.78 -58.27 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.024 -0.534 . . . . 3.0899999999999999 111.051 177.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . 0.514 ' H ' ' HG3' ' B' ' 94' ' ' GLU . 99.6 mttt -145.93 -54.38 0.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.635 0.255 . . . . 3.2999999999999998 110.967 -177.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -68.51 112.44 5.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 2.7400000000000002 111.112 -178.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.22 137.19 42.9 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.876 -0.602 . . . . 1.4399999999999999 110.11 177.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.49 150.91 37.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.282 -0.417 . . . . 1.3899999999999999 110.348 -178.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -81.62 121.77 26.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.231 -0.441 . . . . 2.3500000000000001 111.166 -178.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' ARG . . . . . 0.437 ' HB3' ' OD1' ' B' ' 30' ' ' ASP . 24.7 mmt180 -128.45 176.52 7.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.906 -0.588 . . . . 3.48 110.238 179.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -113.95 112.89 24.04 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.213 -0.662 . . . . 1.98 109.213 -179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' B' ' 86' ' ' PHE . 42.5 pt -113.16 146.88 17.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.106 0.479 . . . . 0.85999999999999999 111.062 -174.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.593 ' HA ' ' O ' ' B' ' 85' ' ' THR . 12.6 ptm180 -78.29 131.55 37.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.45 -0.795 . . . . 3.7200000000000002 111.152 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 44.5 pt -127.73 135.66 62.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.475 -0.784 . . . . 0.82999999999999996 109.277 168.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . 0.464 ' O ' ' HA ' ' B' ' 55' ' ' GLU . 10.8 m-20 -75.27 105.85 6.5 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.255 -0.646 . . . . 1.6899999999999999 109.255 178.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 6.0 t -103.83 -8.96 19.37 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.783 -0.644 . . . . 2.29 112.138 -167.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -156.79 164.41 38.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.646 0.26 . . . . 1.1499999999999999 111.116 -178.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . . . . . . . . . 46.7 t -126.96 120.58 29.44 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.459 -0.571 . . . . 1.5600000000000001 109.459 178.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 24.7 m -117.61 160.73 16.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.925 0.393 . . . . 1.0800000000000001 111.07 -175.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 41.9 t -106.53 122.23 45.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.933 -0.576 . . . . 1.45 110.566 -178.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.546 HG22 ' O ' ' B' ' 79' ' ' TYR . 14.3 m -94.73 148.46 4.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 121.144 -0.222 . . . . 1.52 110.661 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.433 HD11 HG12 ' A' ' 14' ' ' VAL . 67.4 mt -128.19 136.71 51.47 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.811 -0.44 . . . . 1.6699999999999999 109.811 176.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.415 ' O ' ' HB3' ' B' ' 77' ' ' ASN . 11.2 p -177.19 87.5 0.03 OUTLIER 'General case' 0 C--O 1.218 -0.579 0 N-CA-C 112.121 0.415 . . . . 2.6200000000000001 112.121 175.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' ARG . . . . . 0.546 ' HB3' ' O ' ' B' ' 75' ' ' HIS . 7.0 tpm_? -103.12 -42.06 5.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 121.079 -1.013 . . . . 6.7199999999999998 109.966 162.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -104.43 10.81 35.13 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.413 -0.812 . . . . 4.5899999999999999 110.452 -175.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.17 -21.55 15.49 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.696 -0.684 . . . . 4.5 110.407 178.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 14.9 p -72.61 167.34 20.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.616 -0.72 . . . . 5.7400000000000002 110.833 -178.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' ARG . . . . . 0.492 ' HA ' ' HE ' ' B' ' 118' ' ' ARG . 1.5 mmp_? . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.319 -0.848 . . . . 8.6799999999999997 109.811 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.476 0.874 0 CA-C-O 121.195 0.521 . . . . 13.98 110.278 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m -142.14 36.85 1.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.269 0.557 . . . . 12.75 110.093 177.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.0 p -76.62 121.9 23.87 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.501 -0.772 . . . . 11.35 111.259 -177.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -134.8 85.24 36.24 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.917 -0.583 . . . . 10.279999999999999 110.009 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -78.35 46.76 2.2 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.669 2.246 . . . . 7.6299999999999999 112.259 -177.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.2 t 54.03 53.43 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.664 -0.698 . . . . 6.6500000000000004 109.585 -176.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.2 p90 41.64 45.55 2.95 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.295 -0.866 . . . . 7.2699999999999996 112.143 -174.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 43.3 m80 61.86 23.42 13.77 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.174 -0.921 . . . . 7.7199999999999998 111.805 178.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 11.9 ptp 40.56 45.9 2.05 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.312 1.045 . . . . 5.3399999999999999 112.207 -179.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -123.79 178.57 16.39 Favored Glycine 0 N--CA 1.444 -0.802 0 CA-C-N 115.059 -0.973 . . . . 3.98 110.866 177.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 63.87 4.8 2.06 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.028 0.381 . . . . 4.6299999999999999 112.028 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.412 ' HB2' ' CB ' ' B' ' 111' ' ' VAL . 22.2 m-85 -63.23 130.09 43.05 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.181 0.515 . . . . 3.6499999999999999 110.518 177.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.2 m -126.48 118.94 25.96 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.648 -0.705 . . . . 2.4199999999999999 109.667 178.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.4 m -57.38 -26.58 26.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-O 121.379 0.609 . . . . 1.4099999999999999 110.226 176.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.8 t -109.63 106.67 16.44 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.367 -0.975 . . . . 1.75 108.367 169.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -55.51 115.68 2.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.206 0.527 . . . . 2.8700000000000001 111.247 -173.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.437 ' HB3' ' CG2' ' A' ' 56' ' ' THR . 50.0 m -125.47 143.65 50.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.6 -0.727 . . . . 1.72 109.927 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.497 ' HB ' ' HD2' ' A' ' 59' ' ' ARG . 7.3 p -115.98 119.94 63.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.007 0.432 . . . . 1.51 110.966 -178.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.408 ' HB2' ' CE2' ' A' ' 54' ' ' PHE . 5.0 p -92.66 115.54 28.2 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.197 -0.456 . . . . 1.6599999999999999 110.611 179.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.1 t -119.89 140.68 43.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.431 -0.349 . . . . 1.03 110.912 -176.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -93.39 96.59 10.03 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.863 -0.791 . . . . 1.6100000000000001 108.863 173.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.9 t -94.82 120.53 44.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.946 -0.57 . . . . 0.95999999999999996 111.425 -173.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -130.26 20.35 5.01 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 111.002 -0.839 . . . . 1.27 111.002 174.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -113.41 -20.59 11.26 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.913 0.338 . . . . 3.02 111.913 -176.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -71.59 148.29 46.76 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.517 -0.473 . . . . 1.3200000000000001 110.03 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.435 ' O ' ' HA ' ' A' ' 37' ' ' THR . 14.9 t -117.11 3.88 12.71 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.47 -0.332 . . . . 1.8200000000000001 111.637 -173.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.1 p -144.12 149.27 36.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.693 0.282 . . . . 1.01 111.429 179.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -155.73 167.69 29.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.82 -0.627 . . . . 0.79000000000000004 110.366 174.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 34' ' ' LYS . 11.0 m -96.92 121.2 38.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.942 -0.572 . . . . 1.02 110.777 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -67.07 164.99 16.7 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.332 -0.849 . . . . 1.8500000000000001 110.277 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.1 tt -61.42 -28.74 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.031 0.443 . . . . 1.3300000000000001 110.838 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -79.45 -9.14 59.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 2.2200000000000002 110.959 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.34 12.74 47.51 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.79 -0.719 . . . . 1.25 112.075 179.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 29' ' ' THR . 35.1 mmtp -84.87 159.94 20.26 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.832 0.349 . . . . 2.1400000000000001 110.551 178.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -106.79 115.29 29.94 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 108.956 -0.757 . . . . 2.1899999999999999 108.956 173.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.0 m -120.23 152.43 23.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-O 121.023 0.44 . . . . 1.02 111.466 -174.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 26' ' ' THR . 41.2 m -82.14 109.08 16.12 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.199 -0.909 . . . . 1.04 109.839 178.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.517 ' HA ' HG22 ' A' ' 91' ' ' THR . 65.0 t -86.6 125.93 40.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.818 -0.628 . . . . 1.1000000000000001 111.042 -174.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 42.1 mt -99.32 114.57 27.51 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.972 -0.751 . . . . 1.9099999999999999 108.972 176.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.443 ' O ' ' HA ' ' A' ' 50' ' ' ARG . . . -69.31 -19.2 63.88 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.359 0.6 . . . . 2.1800000000000002 110.154 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.548 ' HG2' ' HG2' ' A' ' 50' ' ' ARG . 37.4 mt-10 -105.82 115.43 30.22 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.136 -0.938 . . . . 3.5899999999999999 109.435 177.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.554 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 20.2 m -95.8 137.26 24.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.37 -0.377 . . . . 2.3999999999999999 110.024 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.426 ' H ' HD22 ' A' ' 90' ' ' LEU . 25.5 m-80 -106.58 100.02 9.56 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.163 -0.471 . . . . 3.25 110.236 -176.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.6 mt -112.34 101.33 12.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.986 -0.376 . . . . 2.77 109.986 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.9 m120 58.29 48.25 12.84 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.013 -0.54 . . . . 3.8399999999999999 110.521 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.4 m120 66.92 12.99 9.27 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.678 -0.692 . . . . 4.7599999999999998 111.451 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.3 t -110.66 115.77 30.16 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 109.051 -0.722 . . . . 3.3300000000000001 109.051 176.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.554 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 63.9 t -96.32 130.12 45.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.948 -0.569 . . . . 2.3700000000000001 111.278 -174.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.404 ' O ' HG22 ' A' ' 42' ' ' VAL . 70.4 m-85 -127.13 141.19 51.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.72 -0.673 . . . . 4.1299999999999999 109.805 175.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.548 ' HG2' ' HG2' ' A' ' 41' ' ' GLU . 99.3 mtt180 -101.82 129.02 47.94 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.01 0.433 . . . . 4.8399999999999999 110.887 -179.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -117.19 100.59 7.81 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.073 -0.512 . . . . 4.5599999999999996 110.812 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -73.68 129.36 37.79 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.857 -0.794 . . . . 2.46 108.857 177.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -87.92 129.49 35.21 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.426 -0.352 . . . . 1.1599999999999999 110.856 -174.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.408 ' CE2' ' HB2' ' A' ' 19' ' ' SER . 78.0 t80 -83.4 94.71 8.03 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.944 -0.761 . . . . 3.5600000000000001 108.944 178.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -114.42 121.57 43.99 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.617 -0.72 . . . . 1.49 110.037 -175.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.451 ' HA ' ' O ' ' A' ' 18' ' ' VAL . 32.0 m -98.29 122.16 41.11 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.98 -0.555 . . . . 1.0700000000000001 110.286 179.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -103.13 151.42 22.6 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.035 -0.53 . . . . 2.48 110.161 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.8 t -86.77 106.07 17.42 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.906 -0.588 . . . . 1.73 110.026 -177.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.497 ' HD2' ' HB ' ' A' ' 18' ' ' VAL . 79.6 mtp180 -70.5 -49.54 47.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.939 -0.573 . . . . 3.48 110.517 -178.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -139.71 109.41 6.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.833 -0.621 . . . . 2.5800000000000001 110.44 -177.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.449 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 49.9 m -83.76 -20.32 33.54 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.984 0.421 . . . . 2.7599999999999998 111.23 -178.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -144.4 70.36 15.81 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.293 -0.412 . . . . 2.5899999999999999 110.08 176.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -51.68 -35.41 57.54 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 122.761 2.307 . . . . 2.5699999999999998 112.236 177.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.466 HG11 ' HG2' ' A' ' 69' ' ' ARG . 29.3 m -123.92 177.48 4.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 110.199 -0.297 . . . . 2.5299999999999998 110.199 174.647 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -61.91 -47.89 82.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.593 0.235 . . . . 4.1900000000000004 111.424 -177.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.2 p -71.22 -12.39 61.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.873 0.368 . . . . 3.8999999999999999 111.446 -177.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 78' ' ' SER . . . 123.39 -97.33 0.56 Allowed Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 121.134 -0.555 . . . . 2.6000000000000001 111.802 -178.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 74.3 m -99.23 135.58 40.43 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.366 -0.235 . . . . 1.73 110.366 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.466 ' HG2' HG11 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -68.75 105.44 2.31 Favored 'General case' 0 C--O 1.231 0.085 0 CA-C-N 116.309 -0.405 . . . . 3.9399999999999999 110.15 -175.906 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 137.47 -32.41 2.4 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.834 -0.698 . . . . 1.6100000000000001 111.558 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.3 mm -63.38 140.21 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 122.586 0.354 . . . . 1.6499999999999999 110.961 -179.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -68.71 107.49 3.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.875 -0.602 . . . . 3.3199999999999998 109.901 178.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.1 p -75.83 -11.61 60.01 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.591 0.589 . . . . 4.6299999999999999 112.591 -172.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -89.91 -35.5 15.56 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.007 0.432 . . . . 3.0600000000000001 110.874 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -97.97 -30.62 12.61 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.172 -0.467 . . . . 3.5099999999999998 111.199 -178.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.535 ' CE3' ' HB3' ' A' ' 112' ' ' LEU . 99.6 m95 -127.83 157.48 40.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.643 0.735 . . . . 3.1699999999999999 111.799 -174.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.435 ' HB2' ' HG2' ' A' ' 115' ' ' LYS . 4.0 t-20 -121.29 135.11 55.15 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.134 -1.061 . . . . 2.6899999999999999 108.134 169.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.504 ' HB2' ' SG ' ' A' ' 110' ' ' CYS . 12.0 p -121.04 137.23 54.75 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.034 0.445 . . . . 1.9299999999999999 111.617 -176.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.512 ' O ' HG22 ' A' ' 111' ' ' VAL . 49.7 p90 -153.69 160.63 42.41 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.945 -0.761 . . . . 3.73 108.945 173.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.791 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 73.1 m -102.35 144.03 31.36 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 112.71 0.633 . . . . 1.6699999999999999 112.71 -170.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.482 ' O ' HG22 ' A' ' 109' ' ' VAL . 5.2 t -145.3 141.22 28.36 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.989 -1.005 . . . . 2.2400000000000002 108.807 172.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 108' ' ' CYS . 19.8 p -85.97 133.93 33.9 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.127 0.489 . . . . 2.7799999999999998 111.695 -174.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.439 HG23 ' OG1' ' A' ' 106' ' ' THR . 10.6 t -94.45 147.27 23.41 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.364 -0.976 . . . . 2.6899999999999999 108.364 173.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -132.66 151.18 52.03 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.098 0.475 . . . . 3.71 112.171 -168.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.516 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 13.4 t -124.67 175.97 6.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.428 -0.805 . . . . 1.48 109.118 174.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -125.89 118.08 24.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.796 0.332 . . . . 1.75 110.11 -176.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.0 m -116.59 140.77 37.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.178 -0.465 . . . . 1.0800000000000001 110.391 -178.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 100' ' ' ARG . 18.8 pttm -82.76 123.55 29.42 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 121.67 0.748 . . . . 3.8199999999999998 110.719 -179.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.8 156.53 43.44 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.936 -1.029 . . . . 1.1299999999999999 109.502 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.426 HD22 ' H ' ' A' ' 43' ' ' ASN . 24.1 tp -75.46 104.69 6.13 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.507 -0.923 . . . . 1.45 108.507 175.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.517 HG22 ' HA ' ' A' ' 38' ' ' VAL . 32.7 p -125.88 158.58 34.74 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.226 -0.443 . . . . 1.1399999999999999 110.122 -175.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.0 t -128.38 135.95 50.25 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.043 0.449 . . . . 1.3200000000000001 110.38 176.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -95.09 -7.01 40.68 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.995 -0.548 . . . . 2.4700000000000002 110.524 178.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -160.49 -82.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.375 -0.375 . . . . 3.0899999999999999 110.3 -179.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -138.81 7.63 2.51 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 111.77 0.285 . . . . 3.29 111.77 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -118.14 124.74 48.73 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.717 0.294 . . . . 2.7400000000000002 110.314 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -88.26 130.99 34.95 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.12 -0.491 . . . . 1.4399999999999999 110.798 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.78 153.5 38.24 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.252 -0.431 . . . . 1.3799999999999999 110.487 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 77.6 m95 -77.2 101.86 6.38 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.237 -0.438 . . . . 2.3500000000000001 110.46 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.444 ' O ' ' HA ' ' A' ' 88' ' ' LYS . 38.2 mmt180 -111.87 154.35 25.29 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.497 -0.557 . . . . 3.48 109.497 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -90.67 117.24 29.17 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.872 0.368 . . . . 1.98 110.271 179.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 35.8 pt -112.74 149.82 15.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.086 -0.507 . . . . 0.85999999999999999 110.069 -178.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.516 ' HA ' ' O ' ' A' ' 85' ' ' THR . 17.6 ptp180 -88.36 132.05 34.59 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.725 -0.67 . . . . 3.71 111.231 -174.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 30.5 pt -129.78 140.79 48.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-N 115.533 -0.758 . . . . 0.82999999999999996 109.578 173.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -80.1 127.41 32.28 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.844 -0.428 . . . . 1.6899999999999999 109.844 -178.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.439 ' OG1' HG23 ' A' ' 83' ' ' THR . 7.5 p -91.23 -29.43 17.2 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.355 -0.384 . . . . 2.29 111.388 -176.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -168.32 153.11 6.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.415 -0.357 . . . . 1.1399999999999999 111.018 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.791 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 14.6 t -100.14 107.09 18.89 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.294 -1.002 . . . . 1.5600000000000001 108.294 173.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.515 ' O ' ' HA ' ' A' ' 80' ' ' CYS . 21.4 m -89.6 142.72 12.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.149 0.499 . . . . 1.0700000000000001 111.304 -171.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.504 ' SG ' ' HB2' ' A' ' 78' ' ' SER . 37.4 t -92.03 99.83 12.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.074 -0.966 . . . . 1.45 108.66 177.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 79' ' ' TYR . 17.5 m -85.3 152.61 3.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.33 -0.395 . . . . 1.52 110.688 -175.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.535 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . 85.7 mt -110.77 137.69 48.11 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.112 0.482 . . . . 1.6699999999999999 110.179 178.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.4 m -126.61 155.71 42.08 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.737 -0.665 . . . . 2.6200000000000001 109.407 176.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -77.81 9.61 3.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.344 -0.389 . . . . 6.7300000000000004 111.68 -176.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.435 ' HG2' ' HB2' ' A' ' 77' ' ' ASN . 56.1 mtpt 71.58 32.37 2.04 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.499 0.666 . . . . 4.5899999999999999 109.905 -178.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -155.8 145.58 21.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.886 -1.052 . . . . 4.5 109.428 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 60.3 p -104.29 174.16 5.99 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.698 -0.228 . . . . 5.7400000000000002 110.661 -179.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 117.958 -1.02 . . . . 8.6699999999999999 111.328 -179.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 23.9 t . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 121.102 0.477 . . . . 13.98 110.406 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -142.62 36.21 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.363 0.601 . . . . 12.76 110.091 178.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 6.5 p -76.18 121.09 22.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.561 -0.745 . . . . 11.359999999999999 111.475 -177.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 26.3 p-80 -134.06 85.25 40.45 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.83 -0.623 . . . . 10.289999999999999 109.971 177.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -78.13 46.65 2.14 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.683 2.255 . . . . 7.6299999999999999 112.167 -177.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 11.8 t 54.14 53.11 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.813 -0.63 . . . . 6.6500000000000004 109.569 -177.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 16.5 p90 41.85 44.99 3.05 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 115.338 -0.846 . . . . 7.2699999999999996 112.197 -174.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 43.5 m80 62.55 23.23 13.8 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.212 -0.904 . . . . 7.7199999999999998 111.793 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 12.2 ptp 40.71 45.89 2.15 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.333 1.053 . . . . 5.3399999999999999 112.206 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -123.79 178.5 16.41 Favored Glycine 0 N--CA 1.444 -0.814 0 CA-C-N 115.127 -0.942 . . . . 3.98 110.911 177.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 63.91 4.97 2.14 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 112.119 0.414 . . . . 4.6200000000000001 112.119 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . 0.414 ' HB2' ' CB ' ' A' ' 111' ' ' VAL . 22.0 m-85 -63.65 129.85 41.86 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-O 121.174 0.512 . . . . 3.6499999999999999 110.456 177.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 20.1 m -126.32 118.91 26.05 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.512 -0.767 . . . . 2.4199999999999999 109.692 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 27.4 m -57.46 -26.53 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-O 121.453 0.644 . . . . 1.4099999999999999 110.329 176.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 47.5 t -109.44 106.65 16.5 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.949 -1.023 . . . . 1.75 108.372 169.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -55.57 115.69 2.47 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.155 0.502 . . . . 2.8700000000000001 111.195 -173.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.426 ' HB3' ' CG2' ' B' ' 56' ' ' THR . 50.2 m -125.45 143.25 51.08 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.604 -0.725 . . . . 1.72 110.014 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.509 ' HB ' ' HD2' ' B' ' 59' ' ' ARG . 7.3 p -115.53 120.14 63.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.915 0.388 . . . . 1.51 110.891 -178.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.6 p -92.69 115.53 28.19 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.306 -0.406 . . . . 1.6599999999999999 110.637 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 40.9 t -119.88 140.62 43.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.496 -0.32 . . . . 1.03 110.86 -176.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -93.21 96.11 9.8 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.952 -0.759 . . . . 1.6100000000000001 108.952 173.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 45.5 t -94.67 120.41 44.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.08 -0.509 . . . . 0.95999999999999996 111.347 -173.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -130.1 20.26 5.07 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 110.941 -0.864 . . . . 1.27 110.941 174.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -113.31 -20.72 11.27 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.775 0.287 . . . . 3.0099999999999998 111.775 -176.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 21.8 pttm -71.7 148.0 46.86 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.499 -0.481 . . . . 1.3200000000000001 110.148 -178.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' B' ' 37' ' ' THR . 14.8 t -116.56 4.08 13.2 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.391 -0.368 . . . . 1.8200000000000001 111.783 -173.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.47 149.32 35.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.751 0.31 . . . . 1.0 111.361 179.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -155.87 167.69 29.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.962 -0.563 . . . . 0.79000000000000004 110.299 175.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' B' ' 34' ' ' LYS . 11.8 m -96.73 121.28 38.41 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.006 -0.543 . . . . 1.01 110.774 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.9 164.95 16.36 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-N 115.309 -0.859 . . . . 1.8400000000000001 110.278 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 14.1 tt -61.41 -28.83 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.93 0.395 . . . . 1.3300000000000001 110.772 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -79.44 -9.01 59.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 2.2200000000000002 110.867 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.96 11.32 50.11 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.684 -0.77 . . . . 1.25 112.237 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.429 ' O ' ' HA ' ' B' ' 29' ' ' THR . 35.1 mmtp -83.72 159.79 21.42 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.788 0.327 . . . . 2.1400000000000001 110.499 179.172 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -106.6 115.54 30.37 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.828 -0.804 . . . . 2.1899999999999999 108.828 173.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 21.6 m -120.49 152.35 23.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.071 0.462 . . . . 1.01 111.542 -175.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . 0.441 ' HA ' ' O ' ' B' ' 26' ' ' THR . 39.6 m -81.83 109.16 15.96 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.22 -0.9 . . . . 1.04 109.836 178.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.536 ' HA ' HG22 ' B' ' 91' ' ' THR . 66.3 t -86.74 125.68 40.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.84 -0.618 . . . . 1.1000000000000001 111.094 -174.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 41.9 mt -99.3 114.14 26.83 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.869 -0.789 . . . . 1.9099999999999999 108.869 176.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.437 ' O ' ' HA ' ' B' ' 50' ' ' ARG . . . -68.86 -18.99 64.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.358 0.599 . . . . 2.1800000000000002 110.341 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.536 ' HG2' ' HG2' ' B' ' 50' ' ' ARG . 37.1 mt-10 -105.78 115.51 30.35 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.16 -0.927 . . . . 3.5899999999999999 109.389 177.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.554 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 19.9 m -95.77 137.26 24.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 110.039 -0.356 . . . . 2.3900000000000001 110.039 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.415 ' H ' HD22 ' B' ' 90' ' ' LEU . 25.5 m-80 -106.57 99.87 9.42 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.15 -0.477 . . . . 3.25 110.22 -176.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 68.3 mt -112.29 101.11 12.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 110.09 -0.337 . . . . 2.77 110.09 178.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 11.8 m120 58.33 48.19 12.84 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.979 -0.555 . . . . 3.8399999999999999 110.535 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 18.8 m120 66.93 13.15 9.34 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.641 -0.709 . . . . 4.7599999999999998 111.463 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 14.2 t -110.6 115.48 29.67 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.847 -0.797 . . . . 3.3300000000000001 108.847 176.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.554 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 64.1 t -96.29 129.83 45.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.877 -0.601 . . . . 2.3799999999999999 111.423 -174.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -126.72 141.13 51.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.876 -0.602 . . . . 4.1299999999999999 109.902 175.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.536 ' HG2' ' HG2' ' B' ' 41' ' ' GLU . 99.3 mtt180 -101.83 129.23 47.99 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.982 0.42 . . . . 4.8399999999999999 110.739 -179.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -117.07 100.76 7.95 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.008 -0.542 . . . . 4.5599999999999996 110.738 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -73.81 129.37 37.77 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.874 -0.787 . . . . 2.4500000000000002 108.874 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -88.05 129.55 35.25 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.475 -0.329 . . . . 1.1599999999999999 110.835 -174.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -83.47 94.83 8.1 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.955 -0.758 . . . . 3.5600000000000001 108.955 178.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -114.55 121.46 43.54 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.517 -0.765 . . . . 1.49 109.927 -175.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' B' ' 18' ' ' VAL . 31.4 m -98.27 122.3 41.26 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.964 -0.562 . . . . 1.0700000000000001 110.279 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -103.16 151.46 22.57 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.909 -0.587 . . . . 2.48 110.217 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 4.9 t -86.74 105.79 17.22 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.824 -0.625 . . . . 1.73 110.107 -177.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . 0.509 ' HD2' ' HB ' ' B' ' 18' ' ' VAL . 79.9 mtp180 -70.4 -49.21 51.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.917 -0.583 . . . . 3.4900000000000002 110.666 -177.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -139.98 109.65 6.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.873 -0.603 . . . . 2.5800000000000001 110.452 -177.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . 0.453 ' HA ' ' SG ' ' B' ' 80' ' ' CYS . 51.0 m -84.19 -19.89 33.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.364 -0.38 . . . . 2.7599999999999998 111.102 -178.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -144.78 70.19 15.03 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.189 -0.46 . . . . 2.5899999999999999 110.081 177.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_endo -51.48 -35.8 56.79 Favored 'Trans proline' 0 C--N 1.354 0.849 0 C-N-CA 122.797 2.331 . . . . 2.5699999999999998 112.158 177.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' VAL . . . . . 0.468 HG11 ' HG2' ' B' ' 69' ' ' ARG . 28.9 m -123.65 177.47 4.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.39 -0.368 . . . . 2.5299999999999998 110.262 174.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -61.79 -48.38 80.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.815 0.34 . . . . 4.2000000000000002 111.443 -177.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 11.3 p -71.28 -11.72 61.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.507 -0.315 . . . . 3.8999999999999999 111.551 -177.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 123.16 -97.52 0.58 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 121.032 -0.604 . . . . 2.6000000000000001 111.765 -178.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 74.3 m -98.99 135.32 40.56 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.595 0.236 . . . . 1.74 110.484 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . 0.468 ' HG2' HG11 ' B' ' 64' ' ' VAL . 0.0 OUTLIER -68.29 105.47 2.14 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.32 -0.4 . . . . 3.9500000000000002 110.213 -175.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 137.47 -32.49 2.39 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.75 -0.738 . . . . 1.6000000000000001 111.507 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . . . . . . . . . 49.2 mm -63.18 140.07 20.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 O-C-N 123.863 0.39 . . . . 1.6499999999999999 111.057 -179.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -68.57 107.55 2.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.936 -0.575 . . . . 3.3199999999999998 109.908 178.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 5.8 p -75.58 -12.11 60.15 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.651 0.611 . . . . 4.6299999999999999 112.651 -172.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -89.84 -35.45 15.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.811 0.339 . . . . 3.0600000000000001 110.831 -177.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -97.77 -30.8 12.58 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.235 -0.438 . . . . 3.5099999999999998 111.23 -178.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' TRP . . . . . 0.534 ' CE3' ' HB3' ' B' ' 112' ' ' LEU . 99.6 m95 -127.69 157.66 39.7 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.622 0.725 . . . . 3.1699999999999999 111.876 -174.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' ASN . . . . . 0.43 ' HB2' ' HG2' ' B' ' 115' ' ' LYS . 4.0 t-20 -121.28 135.15 55.15 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.814 -1.085 . . . . 2.7000000000000002 108.205 169.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.503 ' HB2' ' SG ' ' B' ' 110' ' ' CYS . 12.0 p -121.06 137.57 54.59 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.054 0.454 . . . . 1.9299999999999999 111.727 -176.228 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . 0.505 ' O ' HG22 ' B' ' 111' ' ' VAL . 49.3 p90 -154.03 160.64 42.1 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.934 -0.765 . . . . 3.73 108.934 173.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.783 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 73.3 m -102.37 143.84 31.62 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 112.749 0.648 . . . . 1.6699999999999999 112.749 -170.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.466 ' O ' HG22 ' B' ' 109' ' ' VAL . 5.0 t -145.12 141.14 28.52 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.988 -1.005 . . . . 2.25 108.747 172.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' B' ' 108' ' ' CYS . 19.8 p -85.79 133.86 33.96 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.927 0.394 . . . . 2.7799999999999998 111.787 -175.173 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . 0.44 HG23 ' OG1' ' B' ' 106' ' ' THR . 9.9 t -94.2 147.09 23.52 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.338 -0.986 . . . . 2.6899999999999999 108.338 173.245 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -132.25 151.58 51.75 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.056 0.455 . . . . 3.71 112.118 -168.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.527 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 13.6 t -125.05 176.03 6.96 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.335 -0.848 . . . . 1.48 109.085 174.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -125.94 118.15 24.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.852 0.358 . . . . 1.75 110.176 -177.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 19.1 m -116.63 140.7 37.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.191 -0.459 . . . . 1.0800000000000001 110.411 -178.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . 0.446 ' HA ' ' O ' ' B' ' 100' ' ' ARG . 18.9 pttm -82.72 123.59 29.44 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.615 0.721 . . . . 3.8199999999999998 110.675 -179.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -128.74 156.52 43.4 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.003 -0.999 . . . . 1.1299999999999999 109.462 177.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.415 HD22 ' H ' ' B' ' 43' ' ' ASN . 24.0 tp -75.43 104.7 6.1 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.565 -0.902 . . . . 1.45 108.565 174.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . 0.536 HG22 ' HA ' ' B' ' 38' ' ' VAL . 33.4 p -125.97 158.78 34.38 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.229 -0.441 . . . . 1.1499999999999999 110.099 -175.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 11.5 t -128.75 135.76 49.64 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.018 0.437 . . . . 1.3200000000000001 110.228 176.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -94.76 -7.54 40.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.984 -0.553 . . . . 2.46 110.561 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -160.16 -81.45 0.05 OUTLIER 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.289 -0.414 . . . . 3.0899999999999999 110.468 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -139.35 7.4 2.38 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 111.719 0.266 . . . . 3.2999999999999998 111.719 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -117.89 125.24 50.11 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.764 0.316 . . . . 2.7400000000000002 110.256 178.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -88.64 130.56 35.26 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.323 -0.399 . . . . 1.4399999999999999 110.764 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -148.46 153.33 38.35 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.183 -0.462 . . . . 1.3899999999999999 110.42 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -76.98 101.72 6.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.231 -0.441 . . . . 2.3500000000000001 110.579 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' ARG . . . . . 0.446 ' O ' ' HA ' ' B' ' 88' ' ' LYS . 38.2 mmt180 -111.8 154.36 25.19 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.485 -0.561 . . . . 3.48 109.485 -179.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -90.81 117.03 29.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.417 -0.356 . . . . 1.98 110.321 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 35.0 pt -112.64 149.88 15.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.106 -0.497 . . . . 0.85999999999999999 109.94 -178.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.527 ' HA ' ' O ' ' B' ' 85' ' ' THR . 17.6 ptp180 -88.3 132.2 34.49 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.68 -0.691 . . . . 3.7200000000000002 111.269 -174.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' ILE . . . . . . . . . . . . . 30.4 pt -129.97 140.76 48.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.619 -0.719 . . . . 0.82999999999999996 109.532 173.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -80.11 127.18 32.0 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.974 -0.38 . . . . 1.6899999999999999 109.974 -178.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . 0.44 ' OG1' HG23 ' B' ' 83' ' ' THR . 7.3 p -91.22 -29.2 17.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.438 -0.347 . . . . 2.29 111.412 -176.152 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -168.46 152.97 6.07 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.462 -0.336 . . . . 1.1499999999999999 110.976 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . 0.783 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 14.4 t -99.94 106.89 18.75 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.29 -1.004 . . . . 1.5600000000000001 108.29 173.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.513 ' O ' ' HA ' ' B' ' 80' ' ' CYS . 21.5 m -89.4 142.87 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.118 0.485 . . . . 1.0800000000000001 111.418 -171.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.503 ' SG ' ' HB2' ' B' ' 78' ' ' SER . 37.3 t -92.04 99.97 12.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.142 -0.935 . . . . 1.45 108.753 177.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.505 HG22 ' O ' ' B' ' 79' ' ' TYR . 17.7 m -85.35 152.61 3.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.327 -0.397 . . . . 1.52 110.542 -175.218 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.534 ' HB3' ' CE3' ' B' ' 76' ' ' TRP . 85.4 mt -110.76 137.74 48.04 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-O 121.047 0.451 . . . . 1.6699999999999999 110.292 178.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 22.4 m -126.82 155.62 42.6 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.665 -0.698 . . . . 2.6200000000000001 109.522 176.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -77.76 9.63 3.33 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.304 -0.407 . . . . 6.7199999999999998 111.762 -176.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . 0.43 ' HG2' ' HB2' ' B' ' 77' ' ' ASN . 56.0 mtpt 71.32 33.02 2.03 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.575 0.702 . . . . 4.5899999999999999 109.941 -177.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -156.46 145.26 20.16 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.879 -1.055 . . . . 4.5 109.379 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 53.1 p -103.98 174.51 5.84 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.616 0.246 . . . . 5.7400000000000002 110.759 -179.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.927 0 CA-C-O 117.907 -1.044 . . . . 8.6799999999999997 111.093 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.2 m . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 110.49 -0.189 . . . . 13.98 110.49 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.2 p 66.96 -36.3 0.27 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.161 1.384 . . . . 12.75 113.555 176.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.8 m -62.37 -41.96 99.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.026 0.441 . . . . 11.35 110.651 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -146.38 84.75 7.68 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.945 -0.571 . . . . 10.279999999999999 109.472 177.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -73.67 61.65 4.52 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.772 2.314 . . . . 7.6299999999999999 112.072 -178.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.504 ' HB ' ' HA ' ' A' ' 9' ' ' MET . 6.7 t 57.6 23.15 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 115.388 -0.824 . . . . 6.6500000000000004 110.261 -178.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 53.5 t80 60.96 60.65 1.79 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.517 -0.765 . . . . 7.2699999999999996 109.668 -176.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' A' ' 9' ' ' MET . 54.0 m-70 63.17 36.45 12.04 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.673 -0.694 . . . . 7.7199999999999998 110.294 -178.15 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.504 ' HA ' ' HB ' ' A' ' 6' ' ' VAL . 79.8 mtp 71.25 -10.21 0.81 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.382 0.673 . . . . 5.3399999999999999 111.417 -173.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.0 117.66 3.92 Favored Glycine 0 N--CA 1.442 -0.957 0 N-CA-C 111.279 -0.729 . . . . 3.98 111.279 -175.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.45 ' HB2' HG21 ' B' ' 109' ' ' VAL . 5.4 pt-20 -75.22 73.68 2.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.763 0.792 . . . . 4.6299999999999999 110.287 178.104 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -58.3 132.14 52.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.495 -1.229 . . . . 3.6499999999999999 111.511 -178.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.2 m -103.3 134.23 47.05 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.467 -0.788 . . . . 2.4199999999999999 109.358 175.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.3 m -62.37 -18.02 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 121.09 0.472 . . . . 1.4099999999999999 111.132 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.2 t -125.29 126.99 45.99 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.196 -1.038 . . . . 1.75 108.196 171.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -54.1 115.01 1.82 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.381 0.61 . . . . 2.8700000000000001 112.282 -171.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.4 m -128.22 145.54 51.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.262 -0.881 . . . . 1.72 109.824 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -117.52 122.28 69.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.889 0.376 . . . . 1.51 110.625 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.421 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 4.6 p -94.77 113.97 25.8 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.181 0.515 . . . . 1.6599999999999999 110.565 179.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.9 t -119.58 138.33 50.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.146 -0.479 . . . . 1.03 110.901 -177.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -97.12 96.13 8.24 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.173 -0.677 . . . . 1.6100000000000001 109.173 172.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 40.2 t -83.43 108.57 16.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.927 -0.578 . . . . 0.95999999999999996 110.45 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.3 6.78 56.1 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.672 -0.775 . . . . 1.27 111.87 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -137.85 42.39 2.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.762 0.315 . . . . 3.02 110.798 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -76.29 130.31 37.96 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.797 -0.445 . . . . 1.3200000000000001 109.797 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 37' ' ' THR . 8.8 t -115.99 -17.19 10.99 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.507 0.558 . . . . 1.8200000000000001 112.507 -175.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.7 p -137.59 141.76 41.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.875 -0.516 . . . . 1.01 111.652 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.417 ' HB1' ' HB ' ' A' ' 102' ' ' ILE . . . -154.64 163.78 39.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.988 -0.551 . . . . 0.79000000000000004 110.454 174.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.4 m -103.2 121.03 41.83 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.136 -0.483 . . . . 1.02 110.686 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.471 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 20.2 t70 -65.15 162.8 16.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.325 -0.852 . . . . 1.8500000000000001 110.351 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.467 ' HA ' ' CE2' ' A' ' 86' ' ' PHE . 16.8 tt -59.9 -27.48 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.72 0.295 . . . . 1.3300000000000001 111.603 -178.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -83.7 -9.55 58.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 2.2200000000000002 111.078 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.95 20.2 14.89 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.563 -0.827 . . . . 1.25 112.749 177.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -95.59 125.76 40.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.887 -0.184 . . . . 2.1400000000000001 110.705 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -81.7 115.04 20.77 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.204 -0.665 . . . . 2.1899999999999999 109.204 176.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.1 m -125.22 158.67 33.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.937 -0.574 . . . . 1.02 111.398 -173.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 26' ' ' THR . 31.7 m -85.93 114.54 22.92 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.292 -0.867 . . . . 1.04 110.552 -179.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.46 ' HA ' HG22 ' A' ' 91' ' ' THR . 59.6 t -83.58 132.82 30.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.718 -0.674 . . . . 1.1000000000000001 110.466 -177.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 63.0 mt -93.95 117.97 30.84 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.929 -0.767 . . . . 1.9099999999999999 108.929 175.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.16 -11.16 60.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.379 0.609 . . . . 2.1800000000000002 110.429 -178.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.499 ' HG2' ' HB3' ' A' ' 50' ' ' ARG . 45.0 mt-10 -132.16 116.33 16.85 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.972 -1.013 . . . . 3.5899999999999999 109.04 175.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' A' ' 48' ' ' VAL . 16.2 m -89.8 130.54 38.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.293 0.568 . . . . 2.3999999999999999 110.372 -177.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -99.87 98.88 9.62 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.773 -0.648 . . . . 3.25 109.872 -178.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.7 mm -114.04 91.35 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.197 -0.456 . . . . 2.77 110.199 -178.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.409 HD22 ' N ' ' A' ' 45' ' ' ASN . 0.9 OUTLIER 59.23 56.86 3.67 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.602 -0.727 . . . . 3.8399999999999999 110.433 179.159 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 74.57 -20.53 0.32 Allowed 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.363 -0.835 . . . . 4.7599999999999998 111.825 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.9 t -85.61 115.27 23.2 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.515 -0.55 . . . . 3.3300000000000001 109.515 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.499 ' HA ' ' O ' ' A' ' 42' ' ' VAL . 49.2 t -101.46 123.21 54.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.856 -0.611 . . . . 2.3700000000000001 110.934 -177.075 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.466 ' O ' HG22 ' A' ' 42' ' ' VAL . 84.0 m-85 -116.96 125.62 51.7 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.934 -0.576 . . . . 4.1299999999999999 109.714 175.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.499 ' HB3' ' HG2' ' A' ' 41' ' ' GLU . 14.2 ptp180 -101.81 142.51 33.02 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.701 -0.4 . . . . 4.8399999999999999 110.248 177.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.439 ' HB3' ' HG3' ' B' ' 88' ' ' LYS . 1.0 OUTLIER -116.85 164.72 14.24 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.199 0.523 . . . . 4.5599999999999996 111.251 -179.727 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -123.98 123.16 39.77 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.439 -0.949 . . . . 2.46 108.439 175.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -89.67 116.57 27.9 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 120.826 0.346 . . . . 1.1599999999999999 110.694 -176.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 19' ' ' SER . 84.7 t80 -83.73 94.76 8.22 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.794 -0.639 . . . . 3.5600000000000001 109.642 -179.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -102.03 109.01 20.62 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.614 -0.721 . . . . 1.49 110.183 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.4 m -91.52 96.67 10.61 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.468 -0.938 . . . . 1.0700000000000001 108.468 172.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -101.66 152.11 21.21 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.515 -0.766 . . . . 2.48 110.439 -168.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 6.0 t -82.14 116.07 21.54 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.064 -0.516 . . . . 1.73 110.479 -175.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -74.62 -47.69 30.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.965 -0.561 . . . . 3.48 110.431 -179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -160.89 125.51 3.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.151 -0.477 . . . . 2.5800000000000001 110.521 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.5 t -78.96 135.15 36.85 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.137 -0.483 . . . . 2.7599999999999998 110.108 178.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.7 m120 64.05 74.67 0.41 Allowed Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.807 -0.633 . . . . 2.5899999999999999 111.149 178.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -61.32 -27.27 82.89 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.603 2.202 . . . . 2.5699999999999998 112.507 179.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.8 m -123.64 161.3 26.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.42 -0.354 . . . . 2.5299999999999998 110.206 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -88.78 40.55 0.98 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.344 0.592 . . . . 4.1900000000000004 111.31 -175.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.1 m -150.32 21.91 0.84 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.617 -0.719 . . . . 3.8999999999999999 109.42 175.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.92 -104.2 1.43 Allowed Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.55 -0.75 . . . . 2.6000000000000001 111.631 -176.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 93.3 m -135.19 169.06 18.03 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 110.217 -0.29 . . . . 1.73 110.217 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -67.65 125.66 26.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.773 0.321 . . . . 3.9399999999999999 110.378 -175.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.496 ' O ' ' HA ' ' B' ' 71' ' ' ILE . . . 99.95 -29.71 11.57 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.888 -0.672 . . . . 1.6100000000000001 111.912 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.476 ' HA ' ' O ' ' B' ' 70' ' ' GLY . 30.2 mm -76.91 84.92 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.143 0.497 . . . . 1.6499999999999999 110.253 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -102.2 80.71 2.0 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.416 -0.587 . . . . 3.3199999999999998 109.416 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 46.1 t -147.69 138.08 23.09 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.656 -0.702 . . . . 4.6299999999999999 110.205 -178.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -91.02 -15.72 29.13 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.006 -0.738 . . . . 3.0600000000000001 109.006 174.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 29.1 t-80 -78.93 -28.75 43.85 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.801 -1.091 . . . . 3.5099999999999998 109.705 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 82.5 m95 -113.09 118.22 34.15 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.812 -0.631 . . . . 3.1699999999999999 111.408 -178.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -96.39 136.44 36.87 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.079 -1.082 . . . . 2.6899999999999999 108.079 169.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.649 ' HB3' ' SG ' ' A' ' 110' ' ' CYS . 4.5 m -121.73 148.69 44.29 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 120.929 0.395 . . . . 1.9299999999999999 111.73 -171.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -154.4 156.1 36.21 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.555 -0.748 . . . . 3.73 109.055 171.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.56 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 26.9 m -99.34 139.06 35.54 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.954 0.407 . . . . 1.6699999999999999 111.416 -172.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.1 t -138.37 147.01 42.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.848 -0.615 . . . . 2.2400000000000002 109.588 177.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.9 p -91.67 124.94 36.2 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.191 0.52 . . . . 2.7799999999999998 112.066 -175.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 91.0 m -76.4 138.27 40.28 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.437 -0.949 . . . . 2.6899999999999999 108.437 170.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -124.56 132.37 53.45 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.737 -0.385 . . . . 3.71 110.435 -178.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.62 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 8.9 t -114.36 160.57 18.96 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.175 -0.466 . . . . 1.48 109.753 -178.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.679 ' CE2' ' HB3' ' A' ' 103' ' ' ARG . 83.7 m-85 -120.54 117.22 27.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.805 0.336 . . . . 1.75 110.459 -176.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 31.1 m -113.63 156.15 14.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.249 -0.432 . . . . 1.0800000000000001 110.703 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.447 ' HG3' ' HB3' ' B' ' 51' ' ' GLN . 32.0 mmmt -84.56 113.07 20.97 Favored 'General case' 0 CA--C 1.515 -0.404 0 CA-C-O 120.914 0.388 . . . . 3.8199999999999998 110.144 177.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.57 146.09 50.64 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.87 -0.604 . . . . 1.1299999999999999 109.916 177.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.427 ' HB3' HG12 ' A' ' 42' ' ' VAL . 23.4 tp -77.96 104.45 8.53 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.644 -0.873 . . . . 1.45 108.644 176.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.46 HG22 ' HA ' ' A' ' 38' ' ' VAL . 67.9 p -112.74 145.46 40.48 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 116.161 -0.472 . . . . 1.1399999999999999 110.36 -176.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.7 t -104.44 126.61 51.69 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.462 0.649 . . . . 1.3200000000000001 110.442 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -70.98 -31.2 67.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.18 -0.918 . . . . 2.4700000000000002 109.929 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -171.62 -58.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.168 -0.924 . . . . 3.0899999999999999 108.515 178.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -125.33 -32.94 2.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.664 -0.698 . . . . 3.29 110.586 172.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -83.73 130.61 34.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.354 -0.384 . . . . 2.7400000000000002 110.93 -179.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.426 ' HB1' ' HG ' ' A' ' 90' ' ' LEU . . . -103.99 137.13 42.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.928 -0.578 . . . . 1.4399999999999999 110.501 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.58 147.45 32.08 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.226 -0.443 . . . . 1.3799999999999999 110.718 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -73.19 108.22 5.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.131 -0.486 . . . . 2.3500000000000001 110.374 177.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.412 HH21 ' CG ' ' A' ' 30' ' ' ASP . 12.3 mmm180 -114.79 163.89 14.87 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.247 -0.433 . . . . 3.48 110.56 -179.365 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.471 ' O ' ' HA ' ' A' ' 30' ' ' ASP . 75.5 m-85 -89.8 113.23 24.75 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.137 -0.69 . . . . 1.98 109.137 173.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.455 ' O ' ' HA ' ' A' ' 86' ' ' PHE . 40.8 pt -113.3 144.42 20.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 C-N-CA 120.449 -0.5 . . . . 0.85999999999999999 110.752 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.679 ' HB3' ' CE2' ' A' ' 86' ' ' PHE . 19.0 ptp180 -94.03 130.76 40.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.556 -0.747 . . . . 3.71 111.278 -174.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.441 HD13 ' N ' ' A' ' 104' ' ' ILE . 0.2 OUTLIER -131.46 160.38 42.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.594 0 CA-C-N 115.889 -0.596 . . . . 0.82999999999999996 110.522 174.636 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -69.11 123.32 20.77 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.485 -0.78 . . . . 1.6899999999999999 110.668 -178.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.404 HG22 HG22 ' B' ' 106' ' ' THR . 2.3 m -96.43 -34.86 11.36 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.567 -0.742 . . . . 2.29 110.701 -177.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -179.34 160.48 1.01 Allowed 'General case' 0 CA--C 1.522 -0.106 0 CA-C-N 115.779 -0.646 . . . . 1.1399999999999999 110.119 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.56 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 39.1 t -113.29 100.99 8.98 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.591 -0.892 . . . . 1.5600000000000001 108.591 171.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' A' ' 80' ' ' CYS . 22.2 m -94.92 152.25 3.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.013 -0.54 . . . . 1.0700000000000001 110.914 -172.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.649 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 32.5 t -104.06 109.44 21.23 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.221 -0.659 . . . . 1.45 109.221 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.461 ' O ' ' HA ' ' A' ' 78' ' ' SER . 13.5 m -86.18 153.14 3.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.165 -0.47 . . . . 1.52 110.47 -175.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 82.0 mt -108.93 137.55 46.67 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.758 -0.46 . . . . 1.6699999999999999 109.758 177.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 44.5 t -132.22 144.21 50.47 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.243 -0.435 . . . . 2.6200000000000001 110.078 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 114' ' ' ARG . 42.8 ttp180 -80.49 8.57 7.44 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.924 -0.58 . . . . 6.7300000000000004 110.14 178.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm 70.28 36.61 1.77 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.466 -0.788 . . . . 4.5899999999999999 110.121 -179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.86 -71.92 0.41 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.772 -0.649 . . . . 4.5 110.888 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.6 t -157.9 157.82 33.87 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.192 -0.458 . . . . 5.7400000000000002 109.86 -178.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.481 ' HG2' ' SD ' ' B' ' 9' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.565 -0.731 . . . . 8.6699999999999999 109.46 177.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 22.0 m . . . . . 0 N--CA 1.473 0.707 0 N-CA-C 110.458 -0.201 . . . . 13.98 110.458 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 86.8 p 67.05 -36.32 0.28 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.183 1.393 . . . . 12.76 113.655 176.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 7.3 m -62.75 -41.65 99.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.156 0.503 . . . . 11.359999999999999 110.74 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -146.71 85.3 7.21 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.316 -0.624 . . . . 10.289999999999999 109.316 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.04 61.54 4.83 Favored 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 122.919 2.413 . . . . 7.6299999999999999 112.107 -178.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . 0.495 ' HB ' ' HA ' ' B' ' 9' ' ' MET . 6.6 t 57.63 23.08 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 115.349 -0.841 . . . . 6.6500000000000004 110.174 -178.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 53.0 t80 61.07 60.26 1.84 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.555 -0.748 . . . . 7.2699999999999996 109.787 -176.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . 0.416 ' O ' ' HB2' ' B' ' 9' ' ' MET . 54.6 m-70 63.17 36.7 11.88 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.61 -0.723 . . . . 7.7199999999999998 110.365 -177.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . 0.495 ' HA ' ' HB ' ' B' ' 6' ' ' VAL . 80.2 mtp 71.05 -9.95 0.81 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.37 0.668 . . . . 5.3399999999999999 111.411 -173.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.83 117.63 3.89 Favored Glycine 0 N--CA 1.44 -1.037 0 N-CA-C 111.109 -0.796 . . . . 3.98 111.109 -175.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.458 ' HB2' HG21 ' A' ' 109' ' ' VAL . 5.4 pt-20 -75.28 73.55 2.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.931 0.872 . . . . 4.6200000000000001 110.37 178.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -58.25 132.33 53.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.527 -1.215 . . . . 3.6499999999999999 111.45 -178.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 24.1 m -103.39 134.24 47.1 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.374 -0.83 . . . . 2.4199999999999999 109.509 175.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 28.3 m -62.42 -17.98 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-O 121.126 0.489 . . . . 1.4099999999999999 111.133 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 t -125.22 127.32 46.58 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.14 -1.059 . . . . 1.75 108.14 171.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -53.97 115.16 1.88 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.269 0.557 . . . . 2.8700000000000001 112.426 -171.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 45.0 m -128.66 145.17 51.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.441 -0.799 . . . . 1.72 109.848 178.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -117.36 121.99 68.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 120.946 0.403 . . . . 1.51 110.646 -179.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.425 ' HB2' ' CE1' ' B' ' 54' ' ' PHE . 4.8 p -94.84 113.69 25.47 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.99 0.424 . . . . 1.6599999999999999 110.518 179.012 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 59.0 t -119.32 138.35 50.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.105 -0.498 . . . . 1.03 110.886 -177.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -97.19 96.16 8.24 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.189 -0.671 . . . . 1.6100000000000001 109.189 172.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 40.3 t -83.61 108.57 16.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.941 -0.572 . . . . 0.95999999999999996 110.411 -177.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -101.12 6.57 56.45 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.577 -0.821 . . . . 1.27 112.007 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -137.75 42.77 2.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.88 0.371 . . . . 3.0099999999999998 110.784 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -76.37 130.67 38.4 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.643 -0.503 . . . . 1.3200000000000001 109.643 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' B' ' 37' ' ' THR . 8.8 t -116.48 -17.07 10.74 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.525 0.565 . . . . 1.8200000000000001 112.525 -175.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 12.1 p -137.82 141.44 40.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.985 -0.447 . . . . 1.0 111.668 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.429 ' HB1' ' HB ' ' B' ' 102' ' ' ILE . . . -154.5 163.57 40.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.985 -0.552 . . . . 0.79000000000000004 110.359 174.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 27.1 m -102.87 121.26 42.14 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.142 -0.481 . . . . 1.01 110.748 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . 0.468 ' HA ' ' O ' ' B' ' 101' ' ' PHE . 20.1 t70 -65.12 162.8 16.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.392 -0.822 . . . . 1.8400000000000001 110.422 179.367 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.469 ' HA ' ' CE2' ' B' ' 86' ' ' PHE . 16.6 tt -60.12 -27.44 39.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.729 0.299 . . . . 1.3300000000000001 111.462 -178.241 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -83.58 -9.67 58.77 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.811 0.338 . . . . 2.2200000000000002 111.115 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.96 20.25 14.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.766 -0.731 . . . . 1.25 112.837 177.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -95.61 126.01 40.6 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 122.77 -0.253 . . . . 2.1400000000000001 110.465 179.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -82.08 115.07 21.04 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.276 -0.638 . . . . 2.1899999999999999 109.276 176.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 16.1 m -124.96 158.96 32.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.853 -0.612 . . . . 1.01 111.408 -173.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' B' ' 26' ' ' THR . 30.2 m -86.3 114.52 23.17 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.193 -0.912 . . . . 1.04 110.451 -179.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.444 ' HA ' HG22 ' B' ' 91' ' ' THR . 60.5 t -83.37 133.19 29.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.84 -0.618 . . . . 1.1000000000000001 110.556 -177.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 63.5 mt -94.23 117.83 30.69 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.012 -0.736 . . . . 1.9099999999999999 109.012 175.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.14 -10.8 60.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.295 0.569 . . . . 2.1800000000000002 110.523 -178.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.49 ' HG2' ' HB3' ' B' ' 50' ' ' ARG . 44.7 mt-10 -132.47 116.5 16.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.104 -0.953 . . . . 3.5899999999999999 109.122 175.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' B' ' 48' ' ' VAL . 16.3 m -89.93 130.46 39.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.308 0.575 . . . . 2.3900000000000001 110.248 -177.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -99.97 99.06 9.76 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.721 -0.672 . . . . 3.25 109.773 -178.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 48.8 mm -114.1 91.22 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.197 -0.456 . . . . 2.77 110.247 -178.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . 0.407 HD22 ' N ' ' B' ' 45' ' ' ASN . 0.9 OUTLIER 59.39 56.58 3.7 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.66 -0.7 . . . . 3.8399999999999999 110.404 179.134 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 74.61 -19.63 0.36 Allowed 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.415 -0.811 . . . . 4.7599999999999998 111.804 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 23.0 t -86.45 115.4 23.93 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.473 -0.566 . . . . 3.3300000000000001 109.473 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.49 ' HA ' ' O ' ' B' ' 42' ' ' VAL . 49.1 t -101.7 122.6 54.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.856 -0.611 . . . . 2.3799999999999999 111.079 -176.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . 0.473 ' O ' HG22 ' B' ' 42' ' ' VAL . 84.7 m-85 -116.38 125.07 51.55 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.926 -0.579 . . . . 4.1299999999999999 109.981 175.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.49 ' HB3' ' HG2' ' B' ' 41' ' ' GLU . 14.3 ptp180 -101.41 142.09 33.31 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.749 -0.38 . . . . 4.8399999999999999 110.57 177.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . 0.447 ' HB3' ' HG3' ' A' ' 88' ' ' LYS . 1.0 OUTLIER -116.51 164.88 13.91 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.175 0.512 . . . . 4.5599999999999996 111.154 -179.56 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -124.12 123.02 39.4 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.391 -0.966 . . . . 2.4500000000000002 108.391 175.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -89.52 116.72 27.9 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 120.934 0.397 . . . . 1.1599999999999999 110.675 -176.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . 0.425 ' CE1' ' HB2' ' B' ' 19' ' ' SER . 84.8 t80 -83.81 94.89 8.29 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.697 -0.683 . . . . 3.5600000000000001 109.629 -179.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -102.1 109.14 20.77 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.446 -0.797 . . . . 1.49 110.21 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 15.6 m -91.66 96.61 10.54 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.508 -0.923 . . . . 1.0700000000000001 108.508 171.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -101.67 152.04 21.3 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.41 -0.814 . . . . 2.48 110.416 -168.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 6.1 t -82.09 116.34 21.63 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.929 -0.578 . . . . 1.73 110.32 -175.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -74.84 -47.86 28.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.855 -0.611 . . . . 3.4900000000000002 110.405 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -160.63 125.51 3.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.132 -0.486 . . . . 2.5800000000000001 110.638 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 40.4 t -79.06 135.13 36.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.338 -0.392 . . . . 2.7599999999999998 110.056 178.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 19.7 m120 64.01 74.81 0.41 Allowed Pre-proline 0 C--N 1.329 -0.316 0 O-C-N 123.693 0.62 . . . . 2.5899999999999999 111.092 178.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -61.42 -27.37 82.51 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.592 2.194 . . . . 2.5699999999999998 112.599 179.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 29.4 m -123.39 161.22 25.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.388 -0.369 . . . . 2.5299999999999998 110.205 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -88.69 40.43 0.97 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.413 0.625 . . . . 4.2000000000000002 111.274 -175.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 50.2 m -150.06 22.17 0.86 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.609 -0.723 . . . . 3.8999999999999999 109.37 175.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 113.56 -104.34 1.48 Allowed Glycine 0 N--CA 1.443 -0.864 0 CA-C-N 115.719 -0.673 . . . . 2.6000000000000001 111.594 -176.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 93.2 m -135.0 169.05 18.02 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 110.231 -0.285 . . . . 1.74 110.231 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -67.46 125.76 27.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.795 0.331 . . . . 3.9500000000000002 110.461 -175.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . 0.476 ' O ' ' HA ' ' A' ' 71' ' ' ILE . . . 99.73 -29.81 11.29 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.722 -0.751 . . . . 1.6000000000000001 111.959 -179.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . 0.496 ' HA ' ' O ' ' A' ' 70' ' ' GLY . 30.8 mm -76.9 84.85 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.19 0.519 . . . . 1.6499999999999999 110.299 -179.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -102.09 80.11 1.95 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.305 0.574 . . . . 3.3199999999999998 109.561 178.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 45.4 t -147.52 138.32 23.44 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.743 -0.662 . . . . 4.6299999999999999 110.249 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -91.03 -15.78 29.01 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.726 0.774 . . . . 3.0600000000000001 109.073 174.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -78.74 -28.83 44.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.722 -1.126 . . . . 3.5099999999999998 109.654 178.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' TRP . . . . . . . . . . . . . 81.6 m95 -113.25 117.85 33.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.8 -0.636 . . . . 3.1699999999999999 111.525 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -95.96 136.41 36.44 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.089 -1.078 . . . . 2.7000000000000002 108.089 169.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.653 ' HB3' ' SG ' ' B' ' 110' ' ' CYS . 4.7 m -121.79 148.67 44.36 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.875 0.369 . . . . 1.9299999999999999 111.721 -171.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -154.36 156.01 36.12 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.684 -0.689 . . . . 3.73 109.16 171.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.559 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 25.2 m -99.06 139.46 34.66 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.974 0.416 . . . . 1.6699999999999999 111.389 -172.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 8.9 t -138.69 146.92 42.16 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.734 -0.667 . . . . 2.25 109.49 177.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 14.0 p -91.33 125.65 36.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.103 0.477 . . . . 2.7799999999999998 112.014 -175.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 88.6 m -76.93 138.28 39.59 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.334 -0.987 . . . . 2.6899999999999999 108.334 170.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -124.71 132.44 53.38 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.73 -0.388 . . . . 3.71 110.375 -178.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.622 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 8.9 t -114.39 160.5 19.07 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.066 -0.515 . . . . 1.48 109.716 -178.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . 0.677 ' CE2' ' HB3' ' B' ' 103' ' ' ARG . 83.0 m-85 -120.58 117.45 27.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.833 0.349 . . . . 1.75 110.372 -176.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . 0.412 HG13 HD11 ' B' ' 104' ' ' ILE . 30.8 m -113.79 156.08 14.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.282 -0.417 . . . . 1.0800000000000001 110.697 -179.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . 0.439 ' HG3' ' HB3' ' A' ' 51' ' ' GLN . 32.0 mmmt -84.47 113.24 21.06 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 116.327 -0.397 . . . . 3.8199999999999998 110.212 177.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.71 146.07 50.69 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.918 -0.583 . . . . 1.1299999999999999 109.961 177.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . 0.433 ' HB3' HG12 ' B' ' 42' ' ' VAL . 23.4 tp -77.97 104.49 8.56 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.652 -0.87 . . . . 1.45 108.652 176.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . 0.444 HG22 ' HA ' ' B' ' 38' ' ' VAL . 67.1 p -112.74 145.39 40.61 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.121 -0.491 . . . . 1.1499999999999999 110.453 -176.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . . . . . . . . . 8.1 t -104.51 126.62 51.76 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.368 0.604 . . . . 1.3200000000000001 110.357 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -70.84 -31.61 68.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.196 -0.911 . . . . 2.46 109.989 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -171.32 -58.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.134 -0.939 . . . . 3.0899999999999999 108.568 178.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -125.86 -32.78 2.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.649 -0.705 . . . . 3.2999999999999998 110.349 173.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -83.89 131.08 34.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.934 0.397 . . . . 2.7400000000000002 110.744 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . 0.419 ' HB1' ' HG ' ' B' ' 90' ' ' LEU . . . -104.41 136.49 43.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.839 -0.619 . . . . 1.4399999999999999 110.682 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -145.06 147.52 32.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.231 -0.441 . . . . 1.3899999999999999 110.743 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -73.05 107.95 5.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.011 -0.54 . . . . 2.3500000000000001 110.573 177.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' ARG . . . . . 0.408 HH21 ' CG ' ' B' ' 30' ' ' ASP . 12.3 mmm180 -114.68 163.84 14.89 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.347 -0.388 . . . . 3.48 110.56 -179.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.468 ' O ' ' HA ' ' B' ' 30' ' ' ASP . 75.9 m-85 -89.65 113.33 24.78 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.269 -0.641 . . . . 1.98 109.269 173.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . 0.467 ' O ' ' HA ' ' B' ' 86' ' ' PHE . 41.0 pt -113.47 144.44 21.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 C-N-CA 120.363 -0.535 . . . . 0.85999999999999999 110.729 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.677 ' HB3' ' CE2' ' B' ' 86' ' ' PHE . 19.0 ptp180 -93.92 131.04 39.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.524 -0.762 . . . . 3.7200000000000002 111.251 -174.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' ILE . . . . . 0.436 ' N ' HD13 ' B' ' 104' ' ' ILE . 0.2 OUTLIER -131.53 160.21 42.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.847 -0.615 . . . . 0.82999999999999996 110.545 174.582 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -68.81 123.25 20.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.444 -0.798 . . . . 1.6899999999999999 110.577 -178.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . 0.404 HG22 HG22 ' A' ' 106' ' ' THR . 2.4 m -96.48 -34.94 11.31 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.621 -0.718 . . . . 2.29 110.54 -177.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -179.38 160.49 1.0 Allowed 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.846 -0.616 . . . . 1.1499999999999999 110.15 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . 0.559 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 40.0 t -113.11 100.9 8.95 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.676 -0.861 . . . . 1.5600000000000001 108.676 171.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . 0.494 ' O ' ' HA ' ' B' ' 80' ' ' CYS . 21.9 m -94.94 152.14 3.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.032 -0.531 . . . . 1.0800000000000001 110.913 -172.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.653 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 32.6 t -103.94 109.33 21.05 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.18 -0.674 . . . . 1.45 109.18 179.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' B' ' 78' ' ' SER . 13.3 m -86.17 153.17 3.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.334 -0.394 . . . . 1.52 110.697 -175.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 81.4 mt -108.95 137.54 46.7 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.802 -0.444 . . . . 1.6699999999999999 109.802 177.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 43.1 t -132.25 144.41 50.6 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.14 -0.482 . . . . 2.6200000000000001 110.1 178.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -80.96 8.42 8.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.241 0.544 . . . . 6.7199999999999998 109.93 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm 70.64 36.27 1.66 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.305 -0.862 . . . . 4.5899999999999999 110.081 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.58 -71.82 0.41 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.621 -0.718 . . . . 4.5 110.919 -179.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 6.7 t -158.02 156.71 31.61 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.066 -0.515 . . . . 5.7400000000000002 110.051 -178.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' ARG . . . . . 0.498 ' HG2' ' SD ' ' A' ' 9' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.421 -0.799 . . . . 8.6799999999999997 109.297 177.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.5 p . . . . . 0 N--CA 1.476 0.828 0 CA-C-O 120.921 0.391 . . . . 13.98 110.762 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.0 m -132.44 54.99 1.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.718 -0.475 . . . . 12.75 109.718 176.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 37.9 p 56.6 168.52 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.402 1.081 . . . . 11.35 112.955 -177.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.5 t60 55.78 65.6 4.32 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 115.47 -0.787 . . . . 10.279999999999999 110.72 -179.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -84.97 40.24 0.81 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.737 2.292 . . . . 7.6299999999999999 112.375 -177.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.8 t 59.33 34.79 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-O 121.536 0.684 . . . . 6.6500000000000004 109.843 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.9 t80 56.86 41.32 28.13 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.234 -0.894 . . . . 7.2699999999999996 109.674 -176.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.5 m80 61.24 57.24 2.48 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.194 -0.912 . . . . 7.7199999999999998 109.997 -175.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 21.2 ptp 43.45 53.5 5.64 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 124.109 0.881 . . . . 5.3399999999999999 111.491 -175.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -129.83 -158.69 9.53 Favored Glycine 0 N--CA 1.443 -0.877 0 CA-C-N 115.317 -0.856 . . . . 3.98 112.126 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 61.71 18.37 9.56 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.01 0.524 . . . . 4.6299999999999999 111.624 -178.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.601 ' HB2' ' O ' ' B' ' 112' ' ' LEU . 62.9 m-85 -72.27 132.17 43.7 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.566 -0.531 . . . . 3.6499999999999999 109.566 175.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 34.0 m -79.76 126.46 30.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.573 -0.739 . . . . 2.4199999999999999 111.713 -172.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 19.4 m -64.03 -27.89 43.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 115.713 -0.676 . . . . 1.4099999999999999 110.184 173.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.2 t -135.65 128.94 32.0 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.014 -0.994 . . . . 1.75 108.326 173.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -56.39 136.25 53.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.115 0.483 . . . . 2.8700000000000001 111.064 -176.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.444 ' HB3' ' HB3' ' A' ' 108' ' ' CYS . 25.8 p -140.71 145.46 36.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.002 -0.545 . . . . 1.72 111.072 -174.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.52 ' HB ' ' NE ' ' A' ' 59' ' ' ARG . 4.0 p -119.9 116.43 50.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.065 -0.516 . . . . 1.51 111.039 -178.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.453 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 53.9 m -88.05 122.19 31.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.343 -0.389 . . . . 1.6599999999999999 110.097 177.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.2 t -119.52 141.8 37.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.057 -0.52 . . . . 1.03 110.394 -177.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -104.62 97.07 7.02 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.404 -0.591 . . . . 1.6100000000000001 109.404 173.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 56.4 t -71.73 119.04 17.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.487 -0.779 . . . . 0.95999999999999996 110.359 -177.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.504 ' HA2' ' CD1' ' A' ' 52' ' ' TYR . . . -88.08 -6.75 74.79 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.986 -0.626 . . . . 1.27 112.57 -177.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -158.82 84.62 0.82 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.044 0.45 . . . . 3.02 110.342 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.401 ' HE3' ' HB2' ' A' ' 28' ' ' ALA . 58.8 tttp -80.94 138.52 36.1 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.414 -0.587 . . . . 1.3200000000000001 109.414 175.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.3 p -87.39 -64.74 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.33 0.492 . . . . 1.8200000000000001 112.33 -174.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.1 p -134.65 149.63 50.56 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.867 0.365 . . . . 1.01 111.616 -175.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.401 ' HB2' ' HE3' ' A' ' 25' ' ' LYS . . . -149.2 166.99 27.2 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.041 -0.527 . . . . 0.79000000000000004 110.603 176.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.7 m -101.06 118.59 37.29 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.133 -0.485 . . . . 1.02 110.73 -179.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.421 ' OD2' ' HB3' ' A' ' 100' ' ' ARG . 21.9 t70 -71.54 158.33 36.42 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.662 -0.699 . . . . 1.8500000000000001 109.454 175.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.8 tt -61.33 -18.92 19.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.876 -0.602 . . . . 1.3300000000000001 111.587 -175.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -90.22 8.82 31.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.998 0.428 . . . . 2.2200000000000002 110.869 178.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.99 22.04 56.01 Favored Glycine 0 N--CA 1.453 -0.191 0 CA-C-N 115.902 -0.59 . . . . 1.25 112.991 174.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -104.67 138.76 40.5 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.943 0.401 . . . . 2.1400000000000001 111.165 -178.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -90.36 114.6 26.74 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.145 -0.687 . . . . 2.1899999999999999 109.145 174.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.9 m -123.4 157.18 29.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.956 -0.565 . . . . 1.02 111.193 -174.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.404 ' HB ' ' CG2' ' A' ' 92' ' ' THR . 25.7 m -84.0 124.85 31.49 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.416 -0.811 . . . . 1.04 109.714 179.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.425 ' HA ' HG22 ' A' ' 91' ' ' THR . 42.1 t -89.09 137.84 20.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.151 -0.477 . . . . 1.1000000000000001 111.303 -172.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 69.4 mt -111.54 116.34 30.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.999 -0.546 . . . . 1.9099999999999999 109.721 176.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.453 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . . . -68.96 -23.22 64.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.263 0.554 . . . . 2.1800000000000002 110.336 178.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.409 ' HB3' ' HE ' ' A' ' 50' ' ' ARG . 6.4 pt-20 -105.78 126.29 52.0 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.016 -0.993 . . . . 3.5899999999999999 109.409 176.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.0 m -90.09 98.6 8.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.868 0.842 . . . . 2.3999999999999999 110.398 -178.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -85.37 97.65 10.1 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.236 -0.893 . . . . 3.25 109.459 178.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.409 HG21 HG21 ' B' ' 44' ' ' ILE . 53.3 mt -94.53 -70.7 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.915 -0.584 . . . . 2.77 109.461 179.025 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -163.88 95.18 0.78 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.552 -0.749 . . . . 3.8399999999999999 109.322 175.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.6 t30 74.88 -46.02 0.59 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.5 0.72 . . . . 4.7599999999999998 111.045 -177.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.5 m -77.25 114.53 16.16 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.756 0.312 . . . . 3.3300000000000001 110.22 177.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 16.7 t -135.88 137.53 48.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.766 -0.457 . . . . 2.3700000000000001 109.766 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 54.1 p90 -153.61 154.16 33.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.956 0.408 . . . . 4.1299999999999999 111.177 177.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.409 ' HE ' ' HB3' ' A' ' 41' ' ' GLU . 93.8 mtt180 -117.74 135.25 54.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.627 -0.715 . . . . 4.8399999999999999 110.017 176.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -120.81 -2.83 9.76 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.356 -0.609 . . . . 4.5599999999999996 109.356 174.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.504 ' CD1' ' HA2' ' A' ' 23' ' ' GLY . 13.3 m-30 71.05 175.79 0.29 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 114.92 -1.037 . . . . 2.46 110.453 -178.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.453 ' CE2' ' HA ' ' A' ' 40' ' ' ALA . 91.3 m-85 -117.35 127.47 54.09 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.935 0.398 . . . . 1.1599999999999999 111.028 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -84.63 110.57 18.83 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.756 -0.656 . . . . 3.5600000000000001 110.836 -178.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -125.15 116.52 22.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.128 -0.487 . . . . 1.49 109.875 178.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' A' ' 19' ' ' SER . 52.9 m -100.6 110.31 22.45 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.162 0.506 . . . . 1.0700000000000001 109.82 179.025 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -103.2 155.27 18.55 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.65 -0.704 . . . . 2.48 110.734 -172.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 76.7 m -79.6 123.45 27.62 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.831 -0.622 . . . . 1.73 111.22 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.52 ' NE ' ' HB ' ' A' ' 18' ' ' VAL . 81.3 mtt180 -83.46 98.92 9.78 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.118 -0.697 . . . . 3.48 109.118 173.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 64.3 -165.69 0.23 Allowed 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.613 0.57 . . . . 2.5800000000000001 110.239 -176.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.8 p -157.7 139.92 14.4 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 121.236 -0.186 . . . . 2.7599999999999998 111.173 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.481 ' HA ' ' O ' ' A' ' 67' ' ' GLY . 12.9 m120 63.52 74.15 0.45 Allowed Pre-proline 0 N--CA 1.468 0.462 0 O-C-N 123.935 0.772 . . . . 2.5899999999999999 112.013 176.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -65.73 -21.29 58.65 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.422 2.082 . . . . 2.5699999999999998 112.151 176.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.4 m -129.57 158.75 42.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.994 -0.548 . . . . 2.5299999999999998 110.044 178.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' A' ' 66' ' ' SER . 0.3 OUTLIER -83.56 80.44 9.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.074 0.464 . . . . 4.1900000000000004 109.928 -178.012 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 65' ' ' GLU . 9.4 t 174.14 -36.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.41 -0.959 . . . . 3.8999999999999999 108.41 179.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.548 ' HA3' ' HB2' ' A' ' 78' ' ' SER . . . 164.56 -95.45 0.12 Allowed Glycine 0 N--CA 1.44 -1.066 0 CA-C-N 115.505 -0.77 . . . . 2.6000000000000001 111.988 179.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 65.7 m -124.96 168.19 13.65 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.679 -0.489 . . . . 1.73 109.679 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -61.38 121.09 11.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.786 0.327 . . . . 3.9399999999999999 110.293 -177.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' B' ' 71' ' ' ILE . . . 112.07 -32.14 6.52 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.098 -0.572 . . . . 1.6100000000000001 111.77 -176.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 30.0 mm -79.61 125.75 38.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.704 0.288 . . . . 1.6499999999999999 110.308 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -147.96 83.33 1.51 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.438 -0.578 . . . . 3.3199999999999998 109.438 175.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.2 t -145.16 148.39 33.52 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.907 -0.588 . . . . 4.6299999999999999 110.364 -175.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -96.91 -11.38 24.77 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.355 0.598 . . . . 3.0600000000000001 109.405 174.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -86.89 -29.12 22.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.278 -0.874 . . . . 3.5099999999999998 109.897 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.564 ' CE3' ' HB3' ' A' ' 112' ' ' LEU . 94.8 m95 -116.36 138.86 50.99 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.415 -0.811 . . . . 3.1699999999999999 110.742 -177.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -116.26 133.32 56.15 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.102 -1.073 . . . . 2.6899999999999999 108.102 167.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.548 ' HB2' ' HA3' ' A' ' 67' ' ' GLY . 1.4 m -120.58 150.08 41.43 Favored 'General case' 0 C--N 1.315 -0.929 0 C-N-CA 120.369 -0.533 . . . . 1.9299999999999999 110.741 -175.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.5 p90 -155.56 161.72 40.81 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.845 -0.616 . . . . 3.73 109.966 176.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.535 ' HB3' ' SG ' ' A' ' 108' ' ' CYS . 9.2 m -84.39 115.2 22.4 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.382 -0.826 . . . . 1.6699999999999999 110.342 -173.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.8 m -124.79 133.26 53.2 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.105 -0.498 . . . . 2.2400000000000002 110.02 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.479 ' HB ' ' HB2' ' A' ' 105' ' ' ASP . 3.2 p -81.48 131.57 35.28 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.096 0.474 . . . . 2.7799999999999998 111.331 178.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.6 p -76.54 123.27 25.81 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.008 -0.542 . . . . 2.6899999999999999 109.642 176.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.556 ' HA ' ' O ' ' A' ' 104' ' ' ILE . 31.3 m80 -105.09 115.88 31.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.241 -0.436 . . . . 3.71 109.937 -176.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.71 ' O ' ' HA ' ' A' ' 103' ' ' ARG . 6.2 t -118.84 162.8 17.88 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.978 -0.378 . . . . 1.48 109.978 -179.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -102.5 116.78 33.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.809 0.338 . . . . 1.75 110.216 -176.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 101' ' ' PHE . 21.6 m -109.7 142.12 23.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.985 -0.552 . . . . 1.0800000000000001 110.962 -178.057 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -77.45 103.11 7.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.61 -0.723 . . . . 3.8199999999999998 110.902 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.04 147.96 50.95 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.508 -0.769 . . . . 1.1299999999999999 110.433 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.7 tp -72.66 118.0 15.04 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.89 -0.782 . . . . 1.45 108.89 174.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.425 HG22 ' HA ' ' A' ' 38' ' ' VAL . 76.8 p -127.0 158.01 38.03 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 116.223 -0.444 . . . . 1.1399999999999999 109.961 -178.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.404 ' CG2' ' HB ' ' A' ' 37' ' ' THR . 11.7 t -120.45 121.4 38.42 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.768 0.794 . . . . 1.3200000000000001 110.224 177.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -69.32 -43.65 73.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.83 -1.077 . . . . 2.4700000000000002 110.421 178.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -165.51 -69.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 3.0899999999999999 110.596 177.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -100.42 -29.84 12.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.912 0.387 . . . . 3.29 111.025 -178.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -108.58 151.08 26.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.915 0.388 . . . . 2.7400000000000002 111.371 -176.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -114.6 135.64 53.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.752 -0.658 . . . . 1.4399999999999999 109.777 175.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.35 159.35 43.46 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.654 0.264 . . . . 1.3799999999999999 110.643 -177.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -74.8 114.6 13.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.166 -0.47 . . . . 2.3500000000000001 110.324 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.421 ' HB3' ' OD2' ' A' ' 30' ' ' ASP . 74.5 mmt-85 -122.08 173.18 7.72 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.992 -0.549 . . . . 3.48 109.781 178.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' A' ' 87' ' ' VAL . 15.5 m-85 -119.73 104.42 10.22 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.03 -0.73 . . . . 1.98 109.03 -174.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 30.0 pt -111.97 143.17 22.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.024 0.44 . . . . 0.85999999999999999 111.464 -168.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.71 ' HA ' ' O ' ' A' ' 85' ' ' THR . 0.1 OUTLIER -79.33 128.39 33.27 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.454 -0.793 . . . . 3.71 111.128 -177.771 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.556 ' O ' ' HA ' ' A' ' 84' ' ' HIS . 45.9 pt -130.12 153.0 38.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.564 -0.744 . . . . 0.82999999999999996 110.104 175.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.479 ' HB2' ' HB ' ' A' ' 82' ' ' THR . 4.3 p-10 -82.9 103.51 12.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.581 0.705 . . . . 1.6899999999999999 110.071 175.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.7 m -90.85 -31.18 16.55 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.261 -0.881 . . . . 2.29 112.04 -170.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.447 ' O ' ' HA ' ' A' ' 82' ' ' THR . . . -150.21 155.47 39.81 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.627 0.251 . . . . 1.1399999999999999 110.557 -178.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.535 ' SG ' ' HB3' ' A' ' 80' ' ' CYS . 41.0 t -108.1 108.68 19.87 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.345 -0.613 . . . . 1.5600000000000001 109.345 176.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 17.7 m -109.21 159.1 8.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.901 -0.591 . . . . 1.0700000000000001 110.344 -174.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.449 ' SG ' ' HB3' ' A' ' 78' ' ' SER . 13.4 t -97.81 107.67 20.22 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.75 -0.833 . . . . 1.45 108.75 176.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.491 ' O ' ' HA ' ' A' ' 78' ' ' SER . 27.7 m -93.37 153.47 3.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.32 -0.4 . . . . 1.52 110.83 -175.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.564 ' HB3' ' CE3' ' A' ' 76' ' ' TRP . 97.5 mt -102.08 141.78 34.39 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.08 -0.509 . . . . 1.6699999999999999 110.687 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.2 t -122.66 138.59 54.55 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.741 -0.837 . . . . 2.6200000000000001 108.741 170.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -80.19 -3.94 51.03 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 123.443 0.464 . . . . 6.7300000000000004 111.915 -173.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt 57.82 36.19 26.18 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.904 -0.589 . . . . 4.5899999999999999 111.155 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -80.15 151.84 29.54 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.15 -0.477 . . . . 4.5 111.014 -176.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 34.7 p -128.41 152.18 48.51 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.979 -0.555 . . . . 5.7400000000000002 109.986 177.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 118' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.826 0 CA-C-O 118.964 -0.541 . . . . 8.6699999999999999 110.877 -179.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 31.2 p . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 120.588 0.232 . . . . 13.98 110.712 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -132.58 55.2 1.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.604 -0.517 . . . . 12.76 109.604 175.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 34.6 p 56.97 168.33 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.428 1.091 . . . . 11.359999999999999 112.942 -178.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' HIS . . . . . . . . . . . . . 17.4 t60 55.8 65.51 4.38 Favored Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 115.707 -0.679 . . . . 10.289999999999999 110.857 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -85.08 40.38 0.82 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.767 2.311 . . . . 7.6299999999999999 112.369 -177.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 7.0 t 59.33 34.55 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 121.592 0.71 . . . . 6.6500000000000004 109.864 -179.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 11.1 t80 57.4 41.01 26.97 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.304 -0.862 . . . . 7.2699999999999996 109.663 -176.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' HIS . . . . . . . . . . . . . 46.3 m80 61.25 57.31 2.46 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.206 -0.906 . . . . 7.7199999999999998 109.989 -174.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 21.2 ptp 43.58 53.62 5.76 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 124.04 0.837 . . . . 5.3399999999999999 111.373 -176.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -130.48 -159.18 9.58 Favored Glycine 0 N--CA 1.443 -0.894 0 CA-C-N 115.19 -0.914 . . . . 3.98 112.077 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 62.01 18.58 10.05 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.079 0.552 . . . . 4.6200000000000001 111.536 -177.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' PHE . . . . . 0.466 ' HB2' ' O ' ' A' ' 112' ' ' LEU . 61.8 m-85 -72.18 131.99 43.53 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.621 -0.511 . . . . 3.6499999999999999 109.621 175.313 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 22.9 m -79.72 126.09 30.49 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.625 -0.716 . . . . 2.4199999999999999 111.699 -172.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 19.1 m -63.95 -27.87 43.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 115.733 -0.667 . . . . 1.4099999999999999 110.23 173.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 48.0 t -135.55 129.27 32.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.818 -1.083 . . . . 1.75 108.172 173.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -56.72 136.33 55.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.0 0.429 . . . . 2.8700000000000001 111.155 -177.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . 0.434 ' HB3' ' HB3' ' B' ' 108' ' ' CYS . 29.7 p -140.49 145.62 37.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.121 -0.49 . . . . 1.72 111.062 -174.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.521 ' HB ' ' NE ' ' B' ' 59' ' ' ARG . 3.9 p -120.16 116.47 50.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.206 -0.452 . . . . 1.51 110.99 -178.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.444 ' HA ' ' HA ' ' B' ' 56' ' ' THR . 50.6 m -88.44 121.52 30.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.319 -0.4 . . . . 1.6599999999999999 110.313 177.305 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 50.7 t -118.88 142.12 35.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.977 -0.556 . . . . 1.03 110.403 -177.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -104.75 97.17 7.1 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.37 -0.604 . . . . 1.6100000000000001 109.37 173.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 57.3 t -72.01 118.89 17.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.395 -0.82 . . . . 0.95999999999999996 110.269 -177.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.493 ' HA2' ' CD1' ' B' ' 52' ' ' TYR . . . -88.16 -6.66 74.61 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.008 -0.615 . . . . 1.27 112.667 -177.036 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -158.87 84.63 0.81 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.059 0.457 . . . . 3.0099999999999998 110.321 177.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -80.94 138.77 36.11 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.328 -0.619 . . . . 1.3200000000000001 109.328 175.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 9.3 p -87.79 -64.46 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.247 0.462 . . . . 1.8200000000000001 112.247 -174.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 2.1 p -135.01 149.48 50.18 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.956 0.408 . . . . 1.0 111.696 -175.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -149.38 166.76 28.07 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.003 -0.544 . . . . 0.79000000000000004 110.564 177.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 7.0 m -100.79 118.77 37.54 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.984 -0.553 . . . . 1.01 110.579 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -71.81 158.13 36.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.619 -0.719 . . . . 1.8400000000000001 109.479 175.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 15.8 tt -61.39 -18.58 18.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.905 -0.589 . . . . 1.3300000000000001 111.715 -175.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -90.34 8.44 33.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.974 0.416 . . . . 2.2200000000000002 110.807 178.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.72 23.24 53.81 Favored Glycine 0 N--CA 1.453 -0.2 0 CA-C-N 115.978 -0.555 . . . . 1.25 113.059 174.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -105.5 138.87 40.99 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.653 0.263 . . . . 2.1400000000000001 111.197 -178.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -90.57 114.76 27.07 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.11 -0.7 . . . . 2.1899999999999999 109.11 174.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 19.9 m -123.41 157.36 29.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.999 -0.546 . . . . 1.01 111.171 -174.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . 0.414 ' HB ' HG23 ' B' ' 92' ' ' THR . 26.0 m -84.26 124.58 31.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.498 -0.774 . . . . 1.04 109.771 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.43 ' HA ' HG22 ' B' ' 91' ' ' THR . 42.4 t -88.8 137.95 20.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 116.171 -0.468 . . . . 1.1000000000000001 111.304 -172.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 69.3 mt -111.63 116.18 30.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.13 -0.486 . . . . 1.9099999999999999 109.717 176.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.45 ' HA ' ' CE2' ' B' ' 53' ' ' PHE . . . -68.6 -23.09 64.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.447 0.641 . . . . 2.1800000000000002 110.462 178.33 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.401 ' HB3' ' HE ' ' B' ' 50' ' ' ARG . 6.4 pt-20 -106.09 126.19 51.91 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.938 -1.028 . . . . 3.5899999999999999 109.39 177.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 19.1 m -90.11 98.8 8.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 121.904 0.859 . . . . 2.3900000000000001 110.42 -178.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -85.73 97.52 10.19 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.206 -0.906 . . . . 3.25 109.39 178.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.409 HG21 HG21 ' A' ' 44' ' ' ILE . 53.0 mt -94.33 -70.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.781 -0.645 . . . . 2.77 109.428 178.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -164.39 95.15 0.74 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.519 -0.764 . . . . 3.8399999999999999 109.155 175.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 10.1 t30 74.83 -45.67 0.58 Allowed 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.893 0.746 . . . . 4.7599999999999998 111.313 -177.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' SER . . . . . . . . . . . . . 14.0 m -78.13 114.48 17.04 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.058 -0.349 . . . . 3.3300000000000001 110.058 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 17.0 t -135.8 137.95 48.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.96 -0.564 . . . . 2.3799999999999999 109.621 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -153.82 154.52 34.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.93 0.395 . . . . 4.1299999999999999 111.015 177.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.401 ' HE ' ' HB3' ' B' ' 41' ' ' GLU . 93.7 mtt180 -117.75 135.2 54.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.639 -0.709 . . . . 4.8399999999999999 109.999 176.041 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -120.9 -2.22 9.79 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.363 -0.606 . . . . 4.5599999999999996 109.363 173.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' TYR . . . . . 0.493 ' CD1' ' HA2' ' B' ' 23' ' ' GLY . 13.5 m-30 70.75 175.74 0.29 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-N 114.777 -1.101 . . . . 2.4500000000000002 110.463 -178.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . 0.45 ' CE2' ' HA ' ' B' ' 40' ' ' ALA . 91.5 m-85 -117.33 127.46 54.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.801 0.334 . . . . 1.1599999999999999 111.036 179.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -84.69 110.64 18.91 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.81 -0.632 . . . . 3.5600000000000001 110.856 -178.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -125.05 116.73 22.58 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.083 -0.508 . . . . 1.49 109.887 177.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' B' ' 19' ' ' SER . 52.7 m -100.6 110.44 22.58 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.101 0.477 . . . . 1.0700000000000001 109.883 178.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -103.23 155.13 18.66 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.706 -0.679 . . . . 2.48 110.704 -172.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' CYS . . . . . . . . . . . . . 75.7 m -79.62 123.33 27.53 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.901 -0.59 . . . . 1.73 111.124 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' ARG . . . . . 0.521 ' NE ' ' HB ' ' B' ' 18' ' ' VAL . 81.2 mtt180 -83.47 98.91 9.78 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.109 -0.701 . . . . 3.4900000000000002 109.109 174.132 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . 64.59 -165.7 0.23 Allowed 'General case' 0 C--O 1.233 0.226 0 O-C-N 123.594 0.559 . . . . 2.5800000000000001 110.125 -176.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 9.8 p -157.81 140.08 14.41 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 121.188 -0.205 . . . . 2.7599999999999998 111.2 -179.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . 0.476 ' HA ' ' O ' ' B' ' 67' ' ' GLY . 12.6 m120 63.09 74.66 0.44 Allowed Pre-proline 0 N--CA 1.468 0.429 0 O-C-N 123.842 0.714 . . . . 2.5899999999999999 111.774 176.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -65.52 -22.16 59.09 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.394 2.063 . . . . 2.5699999999999998 112.055 176.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 35.4 m -129.06 158.65 41.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.03 -0.532 . . . . 2.5299999999999998 110.062 179.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' B' ' 66' ' ' SER . 0.3 OUTLIER -83.53 80.8 8.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.134 0.493 . . . . 4.2000000000000002 109.747 -178.211 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' SER . . . . . 0.436 ' HB2' ' O ' ' B' ' 65' ' ' GLU . 9.5 t 173.93 -36.53 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.88 -1.054 . . . . 3.8999999999999999 108.426 178.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.533 ' HA3' ' HB2' ' B' ' 78' ' ' SER . . . 164.45 -95.59 0.12 Allowed Glycine 0 N--CA 1.442 -0.942 0 CA-C-N 115.432 -0.804 . . . . 2.6000000000000001 112.045 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 65.3 m -124.83 168.26 13.49 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.657 -0.497 . . . . 1.74 109.657 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -61.51 120.82 11.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.343 . . . . 3.9500000000000002 110.41 -177.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . 112.68 -32.86 5.95 Favored Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 111.483 -0.647 . . . . 1.6000000000000001 111.483 -176.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' ILE . . . . . 0.404 ' HA ' ' O ' ' A' ' 70' ' ' GLY . 30.0 mm -78.97 125.57 38.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 110.259 -0.274 . . . . 1.6499999999999999 110.259 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -147.73 83.27 1.53 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.424 -0.584 . . . . 3.3199999999999998 109.424 175.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 42.3 t -145.15 148.04 33.15 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.016 -0.538 . . . . 4.6299999999999999 110.479 -175.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -96.43 -11.69 25.3 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.302 -0.629 . . . . 3.0600000000000001 109.302 174.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 -86.81 -28.98 22.61 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.512 -0.767 . . . . 3.5099999999999998 109.856 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' TRP . . . . . 0.573 ' CE3' ' HB3' ' B' ' 112' ' ' LEU . 95.0 m95 -116.57 138.56 51.32 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.554 -0.748 . . . . 3.1699999999999999 110.892 -177.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -115.9 133.25 56.22 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 108.111 -1.07 . . . . 2.7000000000000002 108.111 167.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . 0.533 ' HB2' ' HA3' ' B' ' 67' ' ' GLY . 1.4 m -120.55 149.94 41.64 Favored 'General case' 0 C--N 1.314 -0.938 0 C-N-CA 120.345 -0.542 . . . . 1.9299999999999999 110.78 -175.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -155.44 161.86 40.88 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.769 -0.65 . . . . 3.73 110.003 176.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.544 ' HB3' ' SG ' ' B' ' 108' ' ' CYS . 9.0 m -84.45 115.16 22.41 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.364 -0.835 . . . . 1.6699999999999999 110.44 -173.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 88.1 m -124.72 133.24 53.25 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.069 -0.514 . . . . 2.25 110.097 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.488 ' HB ' ' HB2' ' B' ' 105' ' ' ASP . 3.0 p -81.55 131.53 35.28 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-O 120.977 0.417 . . . . 2.7799999999999998 111.282 178.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' THR . . . . . . . . . . . . . 15.6 p -76.61 123.54 26.26 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 116.136 -0.483 . . . . 2.6899999999999999 109.735 176.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' HIS . . . . . 0.537 ' HA ' ' O ' ' B' ' 104' ' ' ILE . 31.5 m80 -105.31 115.76 30.81 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.809 -0.441 . . . . 3.71 109.809 -176.14 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.71 ' O ' ' HA ' ' B' ' 103' ' ' ARG . 6.2 t -118.91 162.81 17.88 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.066 -0.346 . . . . 1.48 110.066 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -102.42 116.74 33.25 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.867 0.365 . . . . 1.75 110.212 -176.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' B' ' 101' ' ' PHE . 21.7 m -109.62 142.32 22.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.11 -0.496 . . . . 1.0800000000000001 110.919 -178.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -77.74 103.16 7.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.61 -0.723 . . . . 3.8199999999999998 110.849 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.09 147.95 50.99 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.417 -0.81 . . . . 1.1299999999999999 110.32 -179.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 15.6 tp -72.68 117.77 14.78 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.882 -0.784 . . . . 1.45 108.882 174.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . 0.43 HG22 ' HA ' ' B' ' 38' ' ' VAL . 77.7 p -126.97 158.01 38.0 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 116.211 -0.449 . . . . 1.1499999999999999 109.925 -178.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' THR . . . . . 0.414 HG23 ' HB ' ' B' ' 37' ' ' THR . 12.0 t -120.32 121.32 38.36 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.763 0.792 . . . . 1.3200000000000001 110.222 178.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -68.93 -43.79 74.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.975 -1.011 . . . . 2.46 110.461 177.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -165.57 -70.09 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.105 -0.498 . . . . 3.0899999999999999 110.605 177.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -99.61 -30.48 12.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.874 0.368 . . . . 3.2999999999999998 111.161 -178.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -108.19 151.07 26.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.826 0.346 . . . . 2.7400000000000002 111.383 -176.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -114.85 135.13 54.53 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.756 -0.657 . . . . 1.4399999999999999 109.662 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.03 158.87 43.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.752 0.31 . . . . 1.3899999999999999 110.485 -177.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -74.12 114.99 13.08 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.119 -0.491 . . . . 2.3500000000000001 110.474 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' ARG . . . . . . . . . . . . . 74.6 mmt-85 -122.45 173.11 7.86 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.956 -0.566 . . . . 3.48 109.852 178.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' B' ' 87' ' ' VAL . 15.4 m-85 -119.66 104.52 10.34 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.136 -0.69 . . . . 1.98 109.136 -174.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . . . . . . . . . 30.2 pt -111.89 143.21 22.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 116.181 -0.463 . . . . 0.85999999999999999 111.517 -168.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' ARG . . . . . 0.71 ' HA ' ' O ' ' B' ' 85' ' ' THR . 0.1 OUTLIER -79.34 128.55 33.47 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.529 -0.76 . . . . 3.7200000000000002 111.122 -177.872 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' ILE . . . . . 0.537 ' O ' ' HA ' ' B' ' 84' ' ' HIS . 45.9 pt -130.22 153.05 38.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.447 -0.797 . . . . 0.82999999999999996 110.098 175.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . 0.488 ' HB2' ' HB ' ' B' ' 82' ' ' THR . 4.9 p-10 -83.0 103.47 12.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.523 0.677 . . . . 1.6899999999999999 109.988 176.029 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' THR . . . . . . . . . . . . . 8.6 m -90.8 -31.32 16.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.323 -0.853 . . . . 2.29 112.059 -170.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . 0.461 ' O ' ' HA ' ' B' ' 82' ' ' THR . . . -150.07 155.3 39.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.683 -0.235 . . . . 1.1499999999999999 110.618 -178.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' CYS . . . . . 0.544 ' SG ' ' HB3' ' B' ' 80' ' ' CYS . 42.0 t -107.75 108.87 20.27 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.29 -0.633 . . . . 1.5600000000000001 109.29 176.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 17.6 m -109.28 159.0 8.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.044 -0.525 . . . . 1.0800000000000001 110.424 -175.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' B' ' 78' ' ' SER . 13.6 t -97.73 107.58 20.11 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.727 -0.842 . . . . 1.45 108.727 176.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.479 ' O ' ' HA ' ' B' ' 78' ' ' SER . 27.2 m -93.33 153.58 3.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.295 -0.411 . . . . 1.52 110.795 -175.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.601 ' O ' ' HB2' ' A' ' 12' ' ' PHE . 98.3 mt -102.03 142.25 33.61 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.973 -0.558 . . . . 1.6699999999999999 110.638 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 32.7 t -123.1 138.51 54.65 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.713 -0.847 . . . . 2.6200000000000001 108.713 170.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -80.07 -3.66 49.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 6.7199999999999998 111.948 -173.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt 57.48 36.09 26.59 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 115.938 -0.574 . . . . 4.5899999999999999 111.172 178.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' ALA . . . . . . . . . . . . . . . -79.85 152.15 29.84 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.04 -0.527 . . . . 4.5 111.044 -176.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' THR . . . . . . . . . . . . . 32.8 p -128.99 151.46 49.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.07 -0.513 . . . . 5.7400000000000002 110.224 177.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.963 0 CA-C-O 119.216 -0.421 . . . . 8.6799999999999997 110.941 -179.382 . . . . . . . . 1 1 . 1 stop_ save_